Science.gov

Sample records for critical surface dynamics

  1. Optical feather and foil for shape and dynamic load sensing of critical flight surfaces

    NASA Astrophysics Data System (ADS)

    Black, Richard J.; Costa, Joannes M.; Faridian, Fereydoun; Moslehi, Behzad; Pakmehr, Mehrdad; Schlavin, Jon; Sotoudeh, Vahid; Zagrai, Andrei

    2014-04-01

    Future flight vehicles may comprise complex flight surfaces requiring coordinated in-situ sensing and actuation. Inspired by the complexity of the flight surfaces on the wings and tail of a bird, it is argued that increasing the number of interdependent flight surfaces from just a few, as is normal in an airplane, to many, as in the feathers of a bird, can significantly enlarge the flight envelope. To enable elements of an eco-inspired Dynamic Servo-Elastic (DSE) flight control system, IFOS is developing a multiple functionality-sensing element analogous to a feather, consisting of a very thin tube with optical fiber based strain sensors and algorithms for deducing the shape of the "feather" by measuring strain at multiple points. It is envisaged that the "feather" will act as a unit of sensing and/or actuation for establishing shape, position, static and dynamic loads on flight surfaces and in critical parts. Advanced sensing hardware and software control algorithms will enable the proposed DSE flight control concept. The hardware development involves an array of optical fiber based sensorized needle tubes for attachment to key parts for dynamic flight surface measurement. Once installed the optical fiber sensors, which can be interrogated over a wide frequency range, also allow damage detection and structural health monitoring.

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

    SciTech Connect

    Mazurek, K.

    2011-07-15

    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. When 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.

  3. 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. PMID:20223635

  4. Dynamics at Surfaces

    SciTech Connect

    Sylvia Ceyer, Nancy Ryan Gray

    2010-05-04

    The 2009 Gordon Conference on Dynamics at Surfaces is the 30th 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 dynamics, non-adiabatic interactions in molecule-metal systems, photon induced desorption from semiconductor and metal surfaces, ultrafast x-ray and electron diffraction as probes of the dynamics of ablation, ultrafast vibrational spectroscopy of water surface dynamics, dynamics of a single adsorbate, growth at nano-scale mineral surfaces, dynamics of atom recombination on interstellar dust grains and the dynamics of the interaction of water with lipid bilayers. The conference brings together investigators from a variety of scientific disciplines including chemistry, physics, materials science, geology and biophysics.

  5. Criticality of Adaptive Control Dynamics

    NASA Astrophysics Data System (ADS)

    Patzelt, Felix; Pawelzik, Klaus

    2011-12-01

    We show, that stabilization of a dynamical system can annihilate observable information about its structure. This mechanism induces critical points as attractors in locally adaptive control. It also reveals, that previously reported criticality in simple controllers is caused by adaptation and not by other controller details. We apply these results to a real-system example: human balancing behavior. A model of predictive adaptive closed-loop control subject to some realistic constraints is introduced and shown to reproduce experimental observations in unprecedented detail. Our results suggests, that observed error distributions in between the Lévy and Gaussian regimes may reflect a nearly optimal compromise between the elimination of random local trends and rare large errors.

  6. 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.

  7. Critical slowing down in a dynamic duopoly

    NASA Astrophysics Data System (ADS)

    Escobido, M. G. O.; Hatano, N.

    2015-01-01

    Anticipating critical transitions is very important in economic systems as it can mean survival or demise of firms under stressful competition. As such identifying indicators that can provide early warning to these transitions are very crucial. In other complex systems, critical slowing down has been shown to anticipate critical transitions. In this paper, we investigate the applicability of the concept in the heterogeneous quantity competition between two firms. We develop a dynamic model where the duopoly can adjust their production in a logistic process. We show that the resulting dynamics is formally equivalent to a competitive Lotka-Volterra system. We investigate the behavior of the dominant eigenvalues and identify conditions that critical slowing down can provide early warning to the critical transitions in the dynamic duopoly.

  8. Dynamic critical curve of a synthetic antiferromagnet

    NASA Astrophysics Data System (ADS)

    Pham, Huy; Cimpoesu, Dorin; Plamadǎ, Andrei-Valentin; Stancu, Alexandru; Spinu, Leonard

    2009-11-01

    In this letter, a dynamic generalization of static critical curves (sCCs) for synthetic antiferromagnet (SAF) structures is presented, analyzing the magnetization switching of SAF elements subjected to pulsed magnetic fields. The dependence of dynamic critical curves (dCCs) on field pulse's shape and length, on damping, and on magnetostatic coupling is investigated. Comparing sCCs, which are currently used for studying the switching in toggle magnetic random access memories, with dCCs, it is shown that a consistent switching can be achieved only under specific conditions that take into account the dynamics of the systems. The study relies on the Landau-Lifshitz-Gilbert equation.

  9. Fluid Dynamics with Free Surfaces

    Energy Science and Technology Software Center (ESTSC)

    1992-02-01

    RIPPLE is a two-dimensional, transient, free surface incompressible fluid dynamics program. It allows multiple free surfaces with surface tension and wall adhesion forces and has a partial cell treatment which allows curved boundaries and interior obstacles.

  10. Dynamic critical approach to self-organized criticality

    NASA Astrophysics Data System (ADS)

    Laneri, Karina; Rozenfeld, Alejandro F.; Albano, Ezequiel V.

    2005-12-01

    A dynamic scaling ansatz for the approach to the self-organized critical (SOC) regime is proposed and tested by means of extensive simulations applied to the Bak-Sneppen model (BS), which exhibits robust SOC behavior. Considering the short-time scaling behavior of the density of sites [ρ(t)] below the critical value, it is shown that (i) starting the dynamics with configurations such that ρ(t=0)→0 one observes an initial increase of the density with exponent θ=0.12(2) ; (ii) using initial configurations with ρ(t=0)→1 , the density decays with exponent δ=0.47(2) . It is also shown that the temporal autocorrelation decays with exponent Ca=0.35(2) . Using these dynamically determined critical exponents and suitable scaling relationships, all known exponents of the BS model can be obtained, e.g., the dynamical exponent z=2.10(5) , the mass dimension exponent D=2.42(5) , and the exponent of all returns of the activity τALL=0.39(2) , in excellent agreement with values already accepted and obtained within the SOC regime.

  11. Nonuniversal surface behavior of dynamic phase transitions.

    PubMed

    Riego, Patricia; Berger, Andreas

    2015-06-01

    We have studied the dynamic phase transition (DPT) of the kinetic Ising model in systems with surfaces within the mean-field approximation. Varying the surface exchange coupling strength J(s), the amplitude of the externally applied oscillating field h(0), and its period P, we explore the dynamic behavior of the layer-dependent magnetization and the associated DPTs. The surface phase diagram shows several features that resemble those of the equilibrium case, with an extraordinary bulk transition and a surface transition for high J(s) values, independent from the value of h(0). For low J(s), however, h(0) is found to be a crucial parameter that leads to nonuniversal surface behavior at the ordinary bulk transition point. Specifically, we observed here a bulk-supported surface DPT for high field amplitudes h(0) and correspondingly short critical periods P(c), whereas this surface transition simultaneous to the bulk one is suppressed for slow critical dynamics occurring for low values of h(0). The suppression of the DPT for low h(0) not only occurs for the topmost surface layer, but also affects a significant number of subsurface layers. We find that the key physical quantity that explains this nonuniversal behavior is the time correlation between the dynamic surface and bulk magnetizations at the bulk critical point. This time correlation has to pass a threshold value to trigger a bulk-induced DPT in the surface layers. Otherwise, dynamic phase transitions are absent at the surface in stark contrast to the equilibrium behavior of the corresponding thermodynamic Ising model. Also, we have analyzed the penetration depth of the dynamically ordered phase for the surface DPT that occurs for large J(s) values. Here we find that the penetration depth depends strongly on J(s) and behaves identically to the corresponding equilibrium Ising model. PMID:26172695

  12. Dynamical selection of critical exponents

    NASA Astrophysics Data System (ADS)

    Wiese, Kay Jörg

    2016-04-01

    In renormalized field theories there are in general one or few fixed points that are accessible by the renormalization-group flow. They can be identified from the fixed-point equations. Exceptionally, an infinite family of fixed points exists, parameterized by a scaling exponent ζ , itself a function of a nonrenormalizing parameter. Here we report a different scenario with an infinite family of fixed points of which seemingly only one is chosen by the renormalization-group flow. This dynamical selection takes place in systems with an attractive interaction V (ϕ ) , as in standard ϕ4 theory, but where the potential V at large ϕ goes to zero, as, e.g., the attraction by a defect.

  13. Critical dynamics in multicomponent lipid membranes.

    PubMed

    Haataja, Mikko

    2009-08-01

    The formation and dynamics of spatially extended compositional domains in multicomponent lipid membranes both in vivo and in vitro lie at the heart of many important biological and biophysical phenomena. While the thermodynamic basis for domain formation has been explored extensively in the past, the roles of membrane and exterior fluid hydrodynamics on domain formation kinetics have received less attention. A case in point is the impact of hydrodynamics on the dynamics of compositional heterogeneities in lipid membranes in the vicinity of a critical point. In this Rapid Communication it is argued that the asymptotic dynamic behavior of a lipid membrane system in the vicinity of a critical point is strongly influenced by hydrodynamic interactions. More specifically, a mode-coupling argument is developed which predicts a scaling behavior of lipid transport coefficients near the critical point for both symmetric and asymmetric bilayers immersed in a bulk fluid. PMID:19792068

  14. 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.

  15. Changing Emulsion Dynamics with Heterogeneous Surface Wettability

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    We elucidate the effect of heterogeneous surface wettability on the morphology and dynamics of microfluidic emulsions, generated by a co-flowing device. We first design a useful methodology of modifying a micro-capillary with desired heterogeneous wettability, such as alternating hydrophilic and hydrophobic regions. Subsequently, the effects of flow rates and heterogeneous wettability on the emulsion morphology and motion in the micro-capillary are investigated. Our experimental data reveal a universal critical time scale of advective emulsions, above which the microfluidic emulsions remain intact, whereas below this time-scale emulsions become adhesive or inverse. A simple model based on a force balance can be used to explain this critical transition. These results show a control of emulsion dynamics by tuning the droplet size and the Capillary number, the ratio of viscous to surface effects, with heterogeneous surface wettability.

  16. Dynamics and Thermodynamics beyond the critical point

    PubMed Central

    Gorelli, F. A.; Bryk, T.; Krisch, M.; Ruocco, G.; Santoro, M.; Scopigno, T.

    2013-01-01

    Sudden changes in the dynamical properties of a supercritical fluid model have been found as a function of pressure and temperature (T/Tc = 2–5 and P/Pc = 10–103), striving with the notion of a single phase beyond the critical point established by thermodynamics. The sound propagation in the Terahertz frequency region reveals a sharp dynamic crossover between the gas like and the liquid like regimes along several isotherms, which involves, at sufficiently low densities, the interplay between purely acoustic waves and heat waves. Such a crossover allows one to determine a dynamic line in the phase diagram which exhibits a very tight correlation with a number of thermodynamic observables, showing that the supercritical state is remarkably more complex than thought so far. PMID:23383373

  17. Functional dynamics of cell surface membrane proteins

    NASA Astrophysics Data System (ADS)

    Nishida, Noritaka; Osawa, Masanori; Takeuchi, Koh; Imai, Shunsuke; Stampoulis, Pavlos; Kofuku, Yutaka; Ueda, Takumi; Shimada, Ichio

    2014-04-01

    Cell surface receptors are integral membrane proteins that receive external stimuli, and transmit signals across plasma membranes. In the conventional view of receptor activation, ligand binding to the extracellular side of the receptor induces conformational changes, which convert the structure of the receptor into an active conformation. However, recent NMR studies of cell surface membrane proteins have revealed that their structures are more dynamic than previously envisioned, and they fluctuate between multiple conformations in an equilibrium on various timescales. In addition, NMR analyses, along with biochemical and cell biological experiments indicated that such dynamical properties are critical for the proper functions of the receptors. In this review, we will describe several NMR studies that revealed direct linkage between the structural dynamics and the functions of the cell surface membrane proteins, such as G-protein coupled receptors (GPCRs), ion channels, membrane transporters, and cell adhesion molecules.

  18. Animal population dynamics: Identification of critical components

    USGS Publications Warehouse

    Emlen, J.M.; Pikitch, E.K.

    1989-01-01

    There is a growing interest in the use of population dynamics models in environmental risk assessment and the promulgation of environmental regulatory policies. Unfortunately, because of species and areal differences in the physical and biotic influences on population dynamics, such models must almost inevitably be both complex and species- or site-specific. Given the emormous variety of species and sites of potential concern, this fact presents a problem; it simply is not possible to construct models for all species and circumstances. Therefore, it is useful, before building predictive population models, to discover what input parameters are of critical importance to the desired output. This information should enable the construction of simpler and more generalizable models. As a first step, it is useful to consider population models as composed to two, partly separable classes, one comprising the purely mechanical descriptors of dynamics from given demographic parameter values, and the other describing the modulation of the demographic parameters by environmental factors (changes in physical environment, species interactions, pathogens, xenobiotic chemicals). This division permits sensitivity analyses to be run on the first of these classes, providing guidance for subsequent model simplification. We here apply such a sensitivity analysis to network models of mammalian and avian population dynamics.

  19. Dynamic Land Surface Classifcations using Microwave Frequencies

    NASA Astrophysics Data System (ADS)

    Jackson, H.; Tian, Y.; Peters-Lidard, C. D.; Harrison, K. W.

    2014-12-01

    Land surface emissivity in microwave frequencies is critical to the remote sensing of soil moisture, precipitation, and vegetation. Different land surfaces have different spectral signatures in the microwave portions of the electromagnetic spectrum. Their spatial and temporal behaviors are also highly variable. These properties are yet not well understood in microwave frequencies, despite their capability in detecting water-related variables in the atmosphere and land surface. A classification scheme was developed to stratify the Earth's land surfaces based on their seasonally dynamic microwave signatures. An unsupervised clustering approach was used identify and distinguish data groupings along two microwave based indicies. Land surface data clusters were mapped to determine their spatial relationships to known land cover groupings. Differences in land surface clusters were analyzed in their spatial consistency and their direction and magnitude of land surface change. It was found that vegetation and topography were the predominant contributors to change between seasons. Land surface extremes of sandy desert and closed canopy tropical forest displayed minimal intra-annual variability while transitional zones, such as the Sahel and North American temperate forests, exhibited the most variability. Distinct microwave signatures varied between seasons along a latittudinal gradient. Overall variability in land surface types increased at high lattitudes. This classification will help inform research studies maniputlating the microwave frequencies of the electromagnetic spectrum to better characterize land surface dynamics, and will be very useful in the validation of radiative transfer models and quantification of uncertainty in global precipitation monitoring.

  20. Static and Dynamic Criticality: Are They Different?

    SciTech Connect

    Cullen, D E; Clouse, C J; Procassini, R; Little, R C

    2003-12-12

    Let us start by stating that this paper does not contain anything new. It only contains material that has been known for decades, but which is periodically forgotten. As such this paper is intended merely to refresh people's memories. We will also mention that this paper is an example of the occasional discrepancy between textbook methodologies and real world applications, in the sense that the conclusions reached here contradict what it says in most textbooks, i.e., most textbooks incorrectly interpret the methods presented here, particularly with respect to the use of importance sampling to maintain population control. This paper is not intended as a general tutorial on criticality calculations. It is intended only to clarify the accuracy of various methods for solving criticality problems, such as a true time dependent dynamic calculation, versus an alpha or K static calculation. In particular, we address the long standing controversy between users of the TART code [1] with the dynamic method, and users of the MCNP code [2] with the alpha static method. In this paper we will prove which methods are accurate and inaccurate.

  1. Critical Surface of the Hexagonal Polygon Model

    NASA Astrophysics Data System (ADS)

    Grimmett, Geoffrey R.; Li, Zhongyang

    2016-05-01

    The hexagonal polygon model arises in a natural way via a transformation of the 1-2 model on the hexagonal lattice, and it is related to the high temperature expansion of the Ising model. There are three types of edge, and three corresponding parameters α ,β ,γ >0. By studying the long-range order of a certain two-edge correlation function, it is shown that the parameter space (0,∞)^3 may be divided into subcritical and supercritical regions, separated by critical surfaces satisfying an explicitly known formula. This result complements earlier work on the Ising model and the 1-2 model. The proof uses the Pfaffian representation of Fisher, Kasteleyn, and Temperley for the counts of dimers on planar graphs.

  2. Critical Surface Cleaning and Verification Alternatives

    NASA Technical Reports Server (NTRS)

    Melton, Donald M.; McCool, A. (Technical Monitor)

    2000-01-01

    As a result of federal and state requirements, historical critical cleaning and verification solvents such as Freon 113, Freon TMC, and Trichloroethylene (TCE) are either highly regulated or no longer 0 C available. Interim replacements such as HCFC 225 have been qualified, however toxicity and future phase-out regulations necessitate long term solutions. The scope of this project was to qualify a safe and environmentally compliant LOX surface verification alternative to Freon 113, TCE and HCFC 225. The main effort was focused on initiating the evaluation and qualification of HCFC 225G as an alternate LOX verification solvent. The project was scoped in FY 99/00 to perform LOX compatibility, cleaning efficiency and qualification on flight hardware.

  3. Critical heat flux maxima during boiling crisis on textured surfaces.

    PubMed

    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

  4. 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

  5. Critical heat flux maxima during boiling crisis on textured surfaces

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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.

  6. Critical Surface Tension, Critical Surface Energy and Parachor of MnSO3 Thin Film

    NASA Astrophysics Data System (ADS)

    Kariper, I. A.

    2016-02-01

    This study examines the critical surface energy of manganese sulfite (MnSO3) crystalline thin film, produced via chemical bath deposition (CBD) on substrates. In addition, parachor, which is an important parameter of chemical physics, and its relationship with grain size, film thickness, etc., has been investigated for thin films. For this purpose, MnSO3 thin films were deposited at room temperature using different deposition times. Structural properties of the films, such as film thickness and average grain size, were examined using X-ray diffraction; film thickness and surface properties were measured by and atomic force microscope; and critical surface tension of MnSO3 thin films was measured with Optical Tensiometer and calculated using Zisman method. The results showed that critical surface tension and parachor of the films have varied with average grain size and film thickness. Critical surface tension was calculated as 32.97, 24.55, 21.03 and 12.76mN/m for 14.66, 30.84, 37.07 and 44.56nm grain sizes, respectively. Film thickness and average grain size have been increased with the deposition time and they were found to be negatively correlated with surface tension and parachor. The relationship between film thickness and parachor was found as P=‑0.1856t+183.45; whereas the relationship between average grain size and parachor was found as P=‑0.8911D+150.52. We also showed the relationships between parachor and some thin films parameters.

  7. Surface structure determines dynamic wetting

    PubMed Central

    Wang, Jiayu; Do-Quang, Minh; Cannon, James J.; Yue, Feng; Suzuki, Yuji; Amberg, Gustav; Shiomi, Junichiro

    2015-01-01

    Liquid wetting of a surface is omnipresent in nature and the advance of micro-fabrication and assembly techniques in recent years offers increasing ability to control this phenomenon. Here, we identify how surface roughness influences the initial dynamic spreading of a partially wetting droplet by studying the spreading on a solid substrate patterned with microstructures just a few micrometers in size. We reveal that the roughness influence can be quantified in terms of a line friction coefficient for the energy dissipation rate at the contact line, and that this can be described in a simple formula in terms of the geometrical parameters of the roughness and the line-friction coefficient of the planar surface. We further identify a criterion to predict if the spreading will be controlled by this surface roughness or by liquid inertia. Our results point to the possibility of selectively controlling the wetting behavior by engineering the surface structure. PMID:25683872

  8. Critical surface for explosions of rotational core-collapse supernovae

    SciTech Connect

    Iwakami, Wakana; Nagakura, Hiroki; Yamada, Shoichi

    2014-09-20

    The effect of rotation on the explosion of core-collapse supernovae is investigated systematically in three-dimensional simulations. In order to obtain the critical conditions for explosion as a function of mass accretion rate, neutrino luminosity, and specific angular momentum, rigidly rotating matter was injected from the outer boundary with an angular momentum, which is increased every 500 ms. It is found that there is a critical value of the specific angular momentum, above which the standing shock wave revives, for a given combination of mass accretion rate and neutrino luminosity, i.e., an explosion can occur by rotation even if the neutrino luminosity is lower than the critical value for a given mass accretion rate in non-rotational models. The coupling of rotation and hydrodynamical instabilities plays an important role in characterizing the dynamics of shock revival for the range of specific angular momentum that are supposed to be realistic. Contrary to expectations from past studies, the most rapidly expanding direction of the shock wave is not aligned with the rotation axis. Being perpendicular to the rotation axis on average, it can be oriented in various directions. Its dispersion is small when the spiral mode of the standing accretion shock instability (SASI) governs the dynamics, while it is large when neutrino-driven convection is dominant. As a result of the comparison between two-dimensional and three-dimensional rotational models, it is found that m ≠ 0 modes of neutrino-driven convection or SASI are important for shock revival around the critical surface.

  9. Dynamical Modeling of Surface Tension

    NASA Technical Reports Server (NTRS)

    Brackbill, Jeremiah U.; Kothe, Douglas B.

    1996-01-01

    In a recent review it is said that free-surface flows 'represent some of the difficult remaining challenges in computational fluid dynamics'. There has been progress with the development of new approaches to treating interfaces, such as the level-set method and the improvement of older methods such as the VOF method. A common theme of many of the new developments has been the regularization of discontinuities at the interface. One example of this approach is the continuum surface force (CSF) formulation for surface tension, which replaces the surface stress given by Laplace's equation by an equivalent volume force. Here, we describe how CSF formulation might be made more useful. Specifically, we consider a derivation of the CSF equations from a minimization of surface energy as outlined by Jacqmin (1996). This reformulation suggests that if one eliminates the computation of curvature in terms of a unit normal vector, parasitic currents may be eliminated. For this reformulation to work, it is necessary that transition region thickness be controlled. Various means for this, in addition to the one discussed by Jacqmin (1996), are discussed.

  10. Dynamics of Nanostructures at Surfaces

    SciTech Connect

    Schmid, Andreas K.

    2001-02-28

    Currently, much effort is being devoted to the goal of achieving useful nanotechnologies, which depend on the ability to control and manipulate things on a very small scale. One promising approach to the construction of nanostructures is 'self-assembly', which means that under suitable conditions desired nanostructures might form automatically due to physical and chemical forces. Remarkably, the forces controlling such self-assembly mechanisms are only poorly understood, even though highly successful examples of self-assembly are known in nature (e.g., complex biochemical machinery regularly self-assembles in the conditions inside living cells). This talk will highlight basic measurements of fundamental forces governing the dynamics of nanostructures at prototypical metal surfaces. We use advanced surface microscopy techniques to track the motions of very small structures in real time and up to atomic resolution. One classic example of self-organized nanostructures are networks of surface dislocations (linear crystal defects). The direct observation of thermally activated atomic motions of dislocations in a reconstructed gold surface allows us to measure the forces stabilizing the remarkable long-range order of this nanostructure. In another example, the rapid migration of nano-scale tin crystals deposited on a pure copper surface was traced to an atomic repulsion between tin atoms absorbed on the crystal surface and bronze alloy formed in the footprint of the tin crystals. It is intriguing to consider the clusters as simple chemo-mechanical energy transducers, essentially tiny linear motors built of 100,000 Sn atoms. We can support this view by providing estimates of the power and energy-efficiency of these nano-motors.

  11. Critically coupled surface phonon-polariton excitation in silicon carbide.

    PubMed

    Neuner, Burton; Korobkin, Dmitriy; Fietz, Chris; Carole, Davy; Ferro, Gabriel; Shvets, Gennady

    2009-09-01

    We observe critical coupling to surface phonon-polaritons in silicon carbide by attenuated total reflection of mid-IR radiation. Reflectance measurements demonstrate critical coupling by a double scan of wavelength and incidence angle. Critical coupling occurs when prism coupling loss is equal to losses in silicon carbide and the substrate, resulting in maximal electric field enhancement. PMID:19724526

  12. Protein hydration dynamics in solution: a critical survey.

    PubMed Central

    Halle, Bertil

    2004-01-01

    The properties of water in biological systems have been studied for well over a century by a wide range of physical techniques, but progress has been slow and erratic. Protein hydration--the perturbation of water structure and dynamics by the protein surface--has been a particularly rich source of controversy and confusion. Our aim here is to critically examine central concepts in the description of protein hydration, and to assess the experimental basis for the current view of protein hydration, with the focus on dynamic aspects. Recent oxygen-17 magnetic relaxation dispersion (MRD) experiments have shown that the vast majority of water molecules in the protein hydration layer suffer a mere twofold dynamic retardation compared with bulk water. The high mobility of hydration water ensures that all thermally activated processes at the protein-water interface, such as binding, recognition and catalysis, can proceed at high rates. The MRD-derived picture of a highly mobile hydration layer is consistent with recent molecular dynamics simulations, but is incompatible with results deduced from intermolecular nuclear Overhauser effect spectroscopy, dielectric relaxation and fluorescence spectroscopy. It is also inconsistent with the common view of hydration effects on protein hydrodynamics. Here, we show how these discrepancies can be resolved. PMID:15306377

  13. 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.

  14. Observing scale-invariance in non-critical dynamical systems

    NASA Astrophysics Data System (ADS)

    Gros, C.; Marković, D.

    2013-01-01

    Recent observation for scale invariant neural avalanches in the brain have been discussed in details in the scientific literature. We point out, that these results do not necessarily imply that the properties of the underlying neural dynamics are also scale invariant. The reason for this discrepancy lies in the fact that the sampling statistics of observations and experiments is generically biased by the size of the basins of attraction of the processes to be studied. One has hence to precisely define what one means with statements like 'the brain is critical' . We recapitulate the notion of criticality, as originally introduced in statistical physics for second order phase transitions, turning then to the discussion of critical dynamical systems. We elucidate in detail the difference between a 'critical system', viz a system on the verge of a phase transition, and a 'critical state', viz state with scaleinvariant correlations, stressing the fact that the notion of universality is linked to critical states. We then discuss rigorous results for two classes of critical dynamical systems, the Kauffman net and a vertex routing model, which both have non-critical states. However, an external observer that samples randomly the phase space of these two critical models, would find scale invariance. We denote this phenomenon as 'observational criticality' and discuss its relevance for the response properties of critical dynamical systems.

  15. 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

  16. Dynamic Maintenance and Visualization of Molecular Surfaces

    SciTech Connect

    Bajaj, C L; Pascucci, V; Shamir, A; Holt, R J; Netravali, A N

    2004-12-16

    Molecular surface computations are often necessary in order to perform synthetic drug design. A critical step in this process is the computation and update of an exact boundary representation for the molecular surface (e.g. the Lee-Richards surface). In this paper they introduce efficient techniques for computing a molecular surface boundary representation as a set of NURBS (non-uniform rational B-splines) patches. This representation introduces for molecules the same geometric data structure used in the solid modeling community and enables immediate access to a wide range of modeling operations and techniques. Furthermore, this allows the use of any general solid modeling or visualization system as a molecular modeling interface. However, using such a representation in a molecular modeling environment raises several efficiency and update constraints, especially in a dynamic setting. For example, changes in the probe radius result in both geometric and topological changes to the set of patches. The techniques provide the option of trading accuracy of the representation for the efficiency of the computation, while still tracking the changes in the set of patches. In particular, they discuss two main classes of dynamic updates: one that keeps the topology of the molecular configuration fixed, and a more complicated case where the topology may be updated continuously. In general the generated output surface is represented in a format that can be loaded into standard solid modeling systems. It can also be directly triangulated or rendered, possibly at different levels of resolution, by a standard graphics library such as OpenGL without any additional effort.

  17. Damage spreading in the Bak-Sneppen and ballistic deposition models: critical dynamics and nonextensivity

    NASA Astrophysics Data System (ADS)

    Lyra, Marcelo L.; Tirnakli, Ugur

    2004-06-01

    We introduce a new damage spreading algorithm which is able to capture both the long-time and short-time dynamics of extended systems which evolves towards a critical statistically stationary state. In this sense, the dynamics of systems exhibiting self-organized critical states is shown to be similar to the one observed at the usual critical point of continuous phase transitions and at the onset of chaos of nonlinear low-dimensional dynamical maps. The proposed algorithm is applied to the Bak-Sneppen model of biological evolution and the ballistic deposition model of surface growth. The critical dynamics of these models are discussed within the framework of a nonextensive statistics formalism.

  18. Can dynamical synapses produce true self-organized criticality?

    NASA Astrophysics Data System (ADS)

    Costa, Ariadne de Andrade; Copelli, Mauro; Kinouchi, Osame

    2015-06-01

    Neuronal networks can present activity described by power-law distributed avalanches presumed to be a signature of a critical state. Here we study a random-neighbor network of excitable cellular automata coupled by dynamical synapses. The model exhibits a very similar to conservative self-organized criticality (SOC) models behavior even with dissipative bulk dynamics. This occurs because in the stationary regime the model is conservative on average, and, in the thermodynamic limit, the probability distribution for the global branching ratio converges to a delta-function centered at its critical value. So, this non-conservative model pertain to the same universality class of conservative SOC models and contrasts with other dynamical synapses models that present only self-organized quasi-criticality (SOqC). Analytical results show very good agreement with simulations of the model and enable us to study the emergence of SOC as a function of the parametric derivatives of the stationary branching ratio.

  19. Critical Casimir forces between planar and crenellated surfaces

    NASA Astrophysics Data System (ADS)

    Tröndle, M.; Harnau, L.; Dietrich, S.

    2015-06-01

    We study critical Casimir forces between planar walls and geometrically structured substrates within mean-field theory. As substrate structures, crenellated surfaces consisting of periodic arrays of rectangular crenels and merlons are considered. Within the widely used proximity force approximation, both the top surfaces of the merlons and the bottom surfaces of the crenels contribute to the critical Casimir force. However, for such systems the full, numerically determined critical Casimir forces deviate significantly from the pairwise addition formalism underlying the proximity force approximation. A first-order correction to the proximity force approximation is presented in terms of a step contribution arising from the critical Casimir interaction between a planar substrate and the right-angled steps of the merlons consisting of their upper and lower edges as well as their sidewalls.

  20. Universal critical dynamics in high resolution neuronal avalanche data.

    PubMed

    Friedman, Nir; Ito, Shinya; Brinkman, Braden A W; Shimono, Masanori; DeVille, R E Lee; Dahmen, Karin A; Beggs, John M; Butler, Thomas C

    2012-05-18

    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. PMID:23003192

  1. Critical dynamics of anisotropic Bak-Sneppen model

    NASA Astrophysics Data System (ADS)

    Tirnakli, Ugur; Lyra, Marcelo L.

    2004-10-01

    A new damage spreading algorithm, which was introduced very recently in (Int. J. Mod. Phys. C 14 (2003) 85) has been applied to anisotropic Bak-Sneppen model of biological evolution. Since this new algorithm is able to capture both the short-time and long-time dynamics of extended systems which exhibits self-organized criticality, this analysis is expected to shed further light to the recent claim that the dynamics of such systems is similar to the one observed at the usual critical point of continuous phase-transitions and at the chaos threshold of low-dimensional dissipative maps.

  2. Dynamical net-proton fluctuations near a QCD critical point

    NASA Astrophysics Data System (ADS)

    Herold, Christoph; Nahrgang, Marlene; Yan, Yupeng; Kobdaj, Chinorat

    2016-02-01

    We investigate the evolution of the net-proton kurtosis and the kurtosis of the chiral order parameter near the critical point in the model of nonequilibrium chiral fluid dynamics. The order parameter is propagated explicitly and coupled to an expanding fluid of quarks and gluons in order to describe the dynamical situation in a heavy-ion collision. We study the critical region near the critical point on the crossover side. There are two sources of fluctuations: noncritical initial event-by-event fluctuations and critical fluctuations. These fluctuations can be distinguished by comparing a mean-field evolution of averaged thermodynamic quantities with the inclusion of fluctuations at the phase transition. We find that while the initial state fluctuations give rise to flat deviations from statistical fluctuations, critical fluctuations reveal a clear structure of the phase transition. The signals of the critical point in the net-proton and σ -field kurtosis are affected by the nonequilibrium dynamics and the inhomogeneity of the space-time evolution but they develop clearly.

  3. Photochemical dynamics of surface oriented molecules

    SciTech Connect

    Ho, W.

    1992-01-01

    The period 8/01/91-7/31/92 is the first year of a new project titled Photochemical Dynamics of Surface Oriented Molecules'', initiated with DOE Support. The main objective of this project is to understand the dynamics of elementary chemical reactions by studying photochemical dynamics of surface-oriented molecules. In addition, the mechanisms of photon-surface interactions need to be elucidated. The strategy is to carry out experiments to measure the translational energy distribution, as a function of the angle from the surface normal, of the photoproducts by time-of-flight (TOF) technique by varying the photon wavelength, intensity, polarization, and pulse duration. By choosing adsorbates with different bonding configuration, the effects of adsorbate orientation on surface photochemical dynamics can be studied.

  4. Critical dynamic approach to stationary states in complex systems

    NASA Astrophysics Data System (ADS)

    Rozenfeld, A. F.; Laneri, K.; Albano, E. V.

    2007-04-01

    A dynamic scaling Ansatz for the approach to stationary states in complex systems is proposed and tested by means of extensive simulations applied to both the Bak-Sneppen (BS) model, which exhibits robust Self-Organised Critical (SOC) behaviour, and the Game of Life (GOL) of J. Conway, whose critical behaviour is under debate. Considering the dynamic scaling behaviour of the density of sites (ρ(t)), it is shown that i) by starting the dynamic measurements with configurations such that ρ(t=0) →0, one observes an initial increase of the density with exponents θ= 0.12(2) and θ= 0.11(2) for the BS and GOL models, respectively; ii) by using initial configurations with ρ(t=0) →1, the density decays with exponents δ= 0.47(2) and δ= 0.28(2) for the BS and GOL models, respectively. It is also shown that the temporal autocorrelation decays with exponents Ca = 0.35(2) (Ca = 0.35(5)) for the BS (GOL) model. By using these dynamically determined critical exponents and suitable scaling relationships, we also obtain the dynamic exponents z = 2.10(5) (z = 2.10(5)) for the BS (GOL) model. Based on this evidence we conclude that the dynamic approach to stationary states of the investigated models can be described by suitable power-law functions of time with well-defined exponents.

  5. Dynamics of Wetting of Ultra Hydrophobic Surfaces

    NASA Astrophysics Data System (ADS)

    Mohammad Karim, Alireza; Kim, Jeong-Hyun; Rothstein, Jonathan; Kavehpour, Pirouz; Mechanical and Industrial Engineering, University of Massachusetts, Amherst Collaboration

    2013-11-01

    Controlling the surface wettability of hydrophobic and super hydrophobic surfaces has extensive industrial applications ranging from coating, painting and printing technology and waterproof clothing to efficiency increase in power and water plants. This requires enhancing the knowledge about the dynamics of wetting on these hydrophobic surfaces. We have done experimental investigation on the dynamics of wetting on hydrophobic surfaces by looking deeply in to the dependency of the dynamic contact angles both advancing and receding on the velocity of the three-phase boundary (Solid/Liquid/Gas interface) using the Wilhelmy plate method with different ultra-hydrophobic surfaces. Several fluids with different surface tension and viscosity are used to study the effect of physical properties of liquids on the governing laws.

  6. Uncertainty and Sensitivity in Surface Dynamics Modeling

    NASA Astrophysics Data System (ADS)

    Kettner, Albert J.; Syvitski, James P. M.

    2016-05-01

    Papers for this special issue on 'Uncertainty and Sensitivity in Surface Dynamics Modeling' heralds from papers submitted after the 2014 annual meeting of the Community Surface Dynamics Modeling System or CSDMS. CSDMS facilitates a diverse community of experts (now in 68 countries) that collectively investigate the Earth's surface-the dynamic interface between lithosphere, hydrosphere, cryosphere, and atmosphere, by promoting, developing, supporting and disseminating integrated open source software modules. By organizing more than 1500 researchers, CSDMS has the privilege of identifying community strengths and weaknesses in the practice of software development. We recognize, for example, that progress has been slow on identifying and quantifying uncertainty and sensitivity in numerical modeling of earth's surface dynamics. This special issue is meant to raise awareness for these important subjects and highlight state-of-the-art progress.

  7. Sleep dynamics: A self-organized critical system

    NASA Astrophysics Data System (ADS)

    Comte, J. C.; Ravassard, P.; Salin, P. A.

    2006-05-01

    In psychiatric and neurological diseases, sleep is often perturbed. Moreover, recent works on humans and animals tend to show that sleep plays a strong role in memory processes. Reciprocally, sleep dynamics following a learning task is modified [Hubert , Nature (London) 02663, 1 (2004), Peigneux , Neuron 44, 535 (2004)]. However, sleep analysis in humans and animals is often limited to the total sleep and wake duration quantification. These two parameters are not fully able to characterize the sleep dynamics. In mammals sleep presents a complex organization with an alternation of slow wave sleep (SWS) and paradoxical sleep (PS) episodes. Moreover, it has been shown recently that these sleep episodes are frequently interrupted by micro-arousal (without awakening). We present here a detailed analysis of the basal sleep properties emerging from the mechanisms underlying the vigilance states alternation in an animal model. These properties present a self-organized critical system signature and reveal the existence of two W, two SWS, and a PS structure exhibiting a criticality as met in sand piles. We propose a theoretical model of the sleep dynamics based on several interacting neuronal populations. This new model of sleep dynamics presents the same properties as experimentally observed, and explains the variability of the collected data. This experimental and theoretical study suggests that sleep dynamics shares several common features with critical systems.

  8. Surface dynamics of liquids in porous media.

    PubMed

    Korb, J P

    2001-01-01

    We report remarkable differences in the 1H nuclear magnetic relaxation dispersion data (NMRD) between water and other common aprotic solvents such as acetone when in contact with high surface area calibrated microporous chromatographic silica glasses that contain trace paramagnetic impurities located at or close to the pore surface. All these differences have been related to the particular chemical behaviors and dynamics of these liquids at the pore surface. We apply this technique to probe the structure and dynamics of water and oil at the surface of calibrated macroporous systems, where similar surface dynamics effects have been observed. This technique is also applied to follow the first hydration stage of a white cement-paste. Last, we present an analysis of the magnetic field dependence of 1H nuclear relaxation data to exhibit the microporosity of ultra high performance concretes. PMID:11445312

  9. Communicating by Doppler: Detecting Spacecraft Dynamics During Critical Maneuvers

    NASA Technical Reports Server (NTRS)

    Asmar, Sami W.

    2012-01-01

    Communicating information from spacecraft in deep space utilizes sophisticated techniques of modulations onto a microwave signal carrier. Under most conditions, there is a high success rate of sending commands to the spacecraft and receiving science data acquired by on-board instruments along with health and status information. There are conditions, however, where the signal dynamics are too high and/or the received signal-to-noise ratio is below the receiver threshold. Under these conditions, often by design and sometimes as a result of planned or unplanned critical maneuvers, events (e.g., orbit insertion or descent and landing), safe mode, etc., it becomes highly critical but exceedingly challenging to receive information about the health and dynamical behavior of the spacecraft. The Deep Space Network, being a world-class instrument for Radio Science research, developed openloop receivers, called the Radio Science Receiver, designed to capture the raw incoming electromagnetic signals and associated noise for Radio Science experiments; post data capture digital signal processing extracts the signal carrier for scientific analysis. This receiver provides a high level of configuration flexibility and can be optimized for the various types of experiments. In addition to its scientific utility, it proved to be useful, and in some cases critical, for the support of missions during specific scenarios were the link budget is below the threshold of the tracking receiver to maintain lock or the frequency dynamics are faster than the limits of the tracking receiver. In these cases, the signal carrier is often detected only in the open-loop receiver to provide information on the specific behavior of the spacecraft from the carrier dynamics. This paper describes the utility of the system to support mission-critical events for the three cases of Cassini's Saturn orbit insertion, Huygens Titan landing, and Mars rovers landing.

  10. Sensitivity analysis of the critical speed in railway vehicle dynamics

    NASA Astrophysics Data System (ADS)

    Bigoni, D.; True, H.; Engsig-Karup, A. P.

    2014-05-01

    We present an approach to global sensitivity analysis aiming at the reduction of its computational cost without compromising the results. The method is based on sampling methods, cubature rules, high-dimensional model representation and total sensitivity indices. It is applied to a half car with a two-axle Cooperrider bogie, in order to study the sensitivity of the critical speed with respect to the suspension parameters. The importance of a certain suspension component is expressed by the variance in critical speed that is ascribable to it. This proves to be useful in the identification of parameters for which the accuracy of their values is critically important. The approach has a general applicability in many engineering fields and does not require the knowledge of the particular solver of the dynamical system. This analysis can be used as part of the virtual homologation procedure and to help engineers during the design phase of complex systems.

  11. Measurement of dynamic surface tension by mechanically vibrated sessile droplets.

    PubMed

    Iwata, Shuichi; Yamauchi, Satoko; Yoshitake, Yumiko; Nagumo, Ryo; Mori, Hideki; Kajiya, Tadashi

    2016-04-01

    We developed a novel method for measuring the dynamic surface tension of liquids using mechanically vibrated sessile droplets. Under continuous mechanical vibration, the shape of the deformed droplet was fitted by numerical analysis, taking into account the force balance at the drop surface and the momentum equation. The surface tension was determined by optimizing four parameters: the surface tension, the droplet's height, the radius of the droplet-substrate contact area, and the horizontal symmetrical position of the droplet. The accuracy and repeatability of the proposed method were confirmed using drops of distilled water as well as viscous aqueous glycerol solutions. The vibration frequency had no influence on surface tension in the case of pure liquids. However, for water-soluble surfactant solutions, the dynamic surface tension gradually increased with vibration frequency, which was particularly notable for low surfactant concentrations slightly below the critical micelle concentration. This frequency dependence resulted from the competition of two mechanisms at the drop surface: local surface deformation and surfactant transport towards the newly generated surface. PMID:27131706

  12. Measurement of dynamic surface tension by mechanically vibrated sessile droplets

    NASA Astrophysics Data System (ADS)

    Iwata, Shuichi; Yamauchi, Satoko; Yoshitake, Yumiko; Nagumo, Ryo; Mori, Hideki; Kajiya, Tadashi

    2016-04-01

    We developed a novel method for measuring the dynamic surface tension of liquids using mechanically vibrated sessile droplets. Under continuous mechanical vibration, the shape of the deformed droplet was fitted by numerical analysis, taking into account the force balance at the drop surface and the momentum equation. The surface tension was determined by optimizing four parameters: the surface tension, the droplet's height, the radius of the droplet-substrate contact area, and the horizontal symmetrical position of the droplet. The accuracy and repeatability of the proposed method were confirmed using drops of distilled water as well as viscous aqueous glycerol solutions. The vibration frequency had no influence on surface tension in the case of pure liquids. However, for water-soluble surfactant solutions, the dynamic surface tension gradually increased with vibration frequency, which was particularly notable for low surfactant concentrations slightly below the critical micelle concentration. This frequency dependence resulted from the competition of two mechanisms at the drop surface: local surface deformation and surfactant transport towards the newly generated surface.

  13. Dynamics of polymer thin films and surfaces

    NASA Astrophysics Data System (ADS)

    Fakhraai, Zahra

    2007-12-01

    The dynamics of thin polymer films display many differences from the bulk dynamics. Different modes of motions in polymers are affected by confinement in different ways. The enhancement in the dynamics of some modes of motion can cause anomalies in the glass transition temperature (Tg) of thin films, while other modes of motion such as diffusion can be substantially slowed down due to the confinement effects. In this thesis, different modes of dynamics are probed using different techniques. The interface healing of two identical polymer surfaces is used as a probe of segmental motion in the direction normal to the plane of the films and it is shown that this mode of motion is slowed down at temperatures above bulk glass transition, while the glass transition itself is decreased indicating that the type of motion responsible for the glass transition is enhanced. The glass transition measurements at different cooling rates indicate that this enhancement only happens at temperatures close to or below bulk glass transition temperature and it is not expected to be detected at higher temperatures where the system is in the melt state. It is shown that the sample preparation technique is not a factor in observing this enhanced dynamics, while the existence of the free surface can be important in observed reductions in the glass transition temperature. The dynamics near the free surface is further studied using a novel nano-deformation technique, and it is shown that the dynamics near the free surface is in fact enhanced compared to the bulk dynamics and this enhancement is increased as the temperature is decreased further below Tg. It is also shown that this mode of relaxation is much different from the bulk modes of relaxations, and a direct relationship between this enhanced motion and Tg reduction in thin films can be established. The results presented in this thesis can lead to a possible universal picture that can resolve the behavior of different modes of motions in

  14. Glassy Dynamics Altered by a Free Surface

    NASA Astrophysics Data System (ADS)

    Tsui, Ophelia

    Studies of polymer dynamics in thin films showed that a highly mobile region exists at the free surface of most if not all polymers. In this talk, I shall review some of these observations, with highlights given to the recent findings that chain flexibility and connectivity may on occasions be necessary for the free surface to exercise its influence. Afterward, I shall ponder on how the influence of the free surface may penetrate as far as several polymer radii of gyration into the inner region, as found both in experiments and simulations. Near the glass transition temperature, our MD simulations showed that the dynamics consist mainly of string-like particle hopping motions, as found by others. Importantly, as the temperature decreases, the hopping motions become increasingly repetitive and back-and-forth, contributing no structural relaxations. We propose that structural relaxations are then brought about by pair-interactions between strings. Near the free surface, however, similar repetitive hopping motions are only observed sufficiently far removed from the free surface. We propose that the free surface induces a penetrating surface mobile region by breaking the memory in the particle dynamics. A possible mechanism based on string interactions will be discussed. We are grateful to the support of NSF through Project DMR-1310536 and Hong Kong GRF Grant 15301014.

  15. SATELLITE DYNAMICS ON THE LAPLACE SURFACE

    SciTech Connect

    Tremaine, Scott; Touma, Jihad; Namouni, Fathi E-mail: jihad.touma@gmail.com

    2009-03-15

    The orbital dynamics of most planetary satellites is governed by the quadrupole moment from the equatorial bulge of the host planet and the tidal field from the Sun. On the Laplace surface, the long-term orbital evolution driven by the combined effects of these forces is zero, so that orbits have a fixed orientation and shape. The 'classical' Laplace surface is defined for circular orbits, and coincides with the planet's equator at small planetocentric distances and with its orbital plane at large distances. A dissipative circumplanetary disk should settle to this surface, and hence satellites formed from such a disk are likely to orbit in or near the classical Laplace surface. This paper studies the properties of Laplace surfaces. Our principal results are: (1) if the planetary obliquity exceeds 68.{sup 0}875, there is a range of semimajor axes in which the classical Laplace surface is unstable; (2) at some obliquities and planetocentric distances, there is a distinct Laplace surface consisting of nested eccentric orbits, which bifurcates from the classical Laplace surface at the point where instability sets in; (3) there is also a 'polar' Laplace surface perpendicular to the line of nodes of the planetary equator on the planetary orbit; (4) for circular orbits, the polar Laplace surface is stable at small planetocentric distances and unstable at large distances; (5) at the onset of instability, this polar Laplace surface bifurcates into two polar Laplace surfaces composed of nested eccentric orbits.

  16. Study on contaminants on flight and other critical surfaces

    NASA Technical Reports Server (NTRS)

    Workman, Gary L.; Hughes, Charles; Arendale, William F.

    1994-01-01

    The control of surface contamination in the manufacture of space hardware can become a critical step in the production process. Bonded surfaces have been shown to be affected markedly by contamination. It is important to insure surface cleanliness by preventing contamination prior to bonding. In this vein techniques are needed in which the contamination which may affect bonding are easily found and removed. Likewise, if materials which are detrimental to bonding are not easily removed, then they should not be used in the manufacturing process. This study will address the development of techniques to locate and quantify contamination levels of particular contaminants. With other data becoming available from MSFC and its contractors, this study will also quantify how certain contaminants affect bondlines and how easily they are removed in manufacturing.

  17. Geostrophic dynamics at surfaces in the atmosphere and ocean

    NASA Astrophysics Data System (ADS)

    Tulloch, Ross

    Observed dynamics near bounding upper surfaces in the atmosphere and ocean are interpreted in terms of quasi-geostrophic theory. The quasi-geostrophic equations consist of advection of linearized potential vorticity coupled with advection of temperature at the upper and lower bounding surfaces. We show that the standard vertical finite difference formulation of 3D quasi-geostrophic flow accurately represents the flow only down to a critical horizontal scale that decreases with vertical grid spacing. To overcome this constraint, we derive a surface-modal formulation which accurately and efficiently captures both the surface dynamics due to temperature anomalies on the upper and lower boundaries, and the interior dynamics due to potential vorticity anomalies, without the need for high vertical resolution. In the atmosphere, the horizontal wavenumber spectra of wind and temperature near the tropopause have a steep -3 slope at synoptic scales and a shallow -5/3 slope at mesoscales, with a smooth transition between the two regimes from 800km to 200km. We demonstrate that when the surface temperature anomalies are resolved, quasi-geostrophic flow driven by baroclinic instability exhibits such a transition near the tropopause. The horizontal scale of transition between -3 and -5/3 slopes depends on the relative magnitudes of the mean surface temperature gradient and the mean potential vorticity gradient. In the ocean, sea surface height anomalies measured by satellite altimetry exhibit shallower spectral slopes than quasi-geostrophic theory predicts, and faster than expected westward phase propagation of sea surface height in the midlatitudes. We argue that, in some regions, the shallow spectral slopes are due to surface quasi-geostrophic dynamics, and that the westward phase propagation in the midlatitudes is indicative of a transition from a linear Rossby wave regime in the tropics to a nonlinear turbulent regime in the midlatitudes.

  18. Dislocation-driven surface dynamics on solids.

    PubMed

    Kodambaka, S; Khare, S V; Swiech, W; Ohmori, K; Petrov, I; Greene, J E

    2004-05-01

    Dislocations are line defects that bound plastically deformed regions in crystalline solids. Dislocations terminating on the surface of materials can strongly influence nanostructural and interfacial stability, mechanical properties, chemical reactions, transport phenomena, and other surface processes. While most theoretical and experimental studies have focused on dislocation motion in bulk solids under applied stress and step formation due to dislocations at surfaces during crystal growth, very little is known about the effects of dislocations on surface dynamics and morphological evolution. Here we investigate the near-equilibrium dynamics of surface-terminated dislocations using low-energy electron microscopy. We observe, in real time, the thermally driven nucleation and shape-preserving growth of spiral steps rotating at constant temperature-dependent angular velocities around cores of dislocations terminating on the (111) surface of TiN in the absence of applied external stress or net mass change. We attribute this phenomenon to point-defect migration from the bulk to the surface along dislocation lines. Our results demonstrate that dislocation-mediated surface roughening can occur even in the absence of deposition or evaporation, and provide fundamental insights into mechanisms controlling nanostructural stability. PMID:15129275

  19. Kawasaki Dynamics with Two Types of Particles: Critical Droplets

    NASA Astrophysics Data System (ADS)

    den Hollander, F.; Nardi, F. R.; Troiani, A.

    2012-12-01

    This is the third in a series of three papers in which we study a two-dimensional lattice gas consisting of two types of particles subject to Kawasaki dynamics at low temperature in a large finite box with an open boundary. Each pair of particles occupying neighboring sites has a negative binding energy provided their types are different, while each particle has a positive activation energy that depends on its type. There is no binding energy between particles of the same type. At the boundary of the box particles are created and annihilated in a way that represents the presence of an infinite gas reservoir. We start the dynamics from the empty box and are interested in the transition time to the full box. This transition is triggered by a critical droplet appearing somewhere in the box. In the first paper we identified the parameter range for which the system is metastable, showed that the first entrance distribution on the set of critical droplets is uniform, computed the expected transition time up to and including a multiplicative factor of order one, and proved that the nucleation time divided by its expectation is exponentially distributed, all in the limit of low temperature. These results were proved under three hypotheses, and involved three model-dependent quantities: the energy, the shape and the number of critical droplets. In the second paper we proved the first and the second hypothesis and identified the energy of critical droplets. In the third paper we prove the third hypothesis and identify the shape and the number of critical droplets, thereby completing our analysis. Both the second and the third paper deal with understanding the geometric properties of subcritical, critical and supercritical droplets, which are crucial in determining the metastable behavior of the system, as explained in the first paper. The geometry turns out to be considerably more complex than for Kawasaki dynamics with one type of particle, for which an extensive literature

  20. Contamination threats to critical surfaces from handling and storage practices.

    NASA Technical Reports Server (NTRS)

    Poehlmann, H. C.; Manning, R. R.; Jackman, R. W.

    1972-01-01

    Review of the procedures and results of a program designed to remove the threat of sources of molecular and particulate contamination of critical optical, electrical, and mechanical elements in spacecraft. The results of recent contamination-probing thermal-vacuum tests indicate that some of the materials and practices commonly used to protect critical surfaces from molecular or particulate contamination can themselves represent significant threats. These contamination sources include clean-room and clean-tent materials, gloves, tissues, and covering or packaging materials. Mass and infrared spectral analyses of these materials and the environments and instruments exposed to them show that the contaminants are mostly plasticizers, slip or antistatic agents, and binders used in the manufacture of these products. Products of particular threat include vinyl gloves, boots, clean-tent walls, and some polyethylene sheets and bags. Techniques for reducing these threats are discussed.

  1. DYNAMICS OF PLASMID TRANSFER ON SURFACES

    EPA Science Inventory

    A protocol was developed to study the dynamics of growth and plasmid transfer in surface populations of bacteria. his method allows for quantitative estimates of cell population densities over time, as well as microscopic observations of colony growth and interactions. sing this ...

  2. A Simple Model of Stability in Critical Mass Dynamics

    NASA Astrophysics Data System (ADS)

    Centola, Damon

    2013-04-01

    Collective behaviors often spread via the self-reinforcing dynamics of critical mass. In collective behaviors with strongly self-reinforcing dynamics, incentives to participate increase with the number of participants, such that incentives are highest when the full population has adopted the behavior. By contrast, when collective behaviors have weakly self-reinforcing dynamics, incentives to participate "peak out" early, leaving a residual fraction of non-participants. In systems of collective action, this residual fraction constitutes free riders, who enjoy the collective good without contributing anything themselves. This "free rider problem" has given rise to a research tradition in collective action that shows how free riding can be eliminated by increasing the incentives for participation, and thereby making cooperation strongly self-reinforcing. However, we show that when the incentives to participate have weakly self-reinforcing dynamics, which allow free riders, collective behaviors will have significantly greater long term stability than when the incentives have strongly self-reinforcing dynamics leading to full participation.

  3. Percolation transition in dynamical traffic network with evolving critical bottlenecks

    PubMed Central

    Li, Daqing; Fu, Bowen; Wang, Yunpeng; Lu, Guangquan; Berezin, Yehiel; Stanley, H. Eugene; Havlin, Shlomo

    2015-01-01

    A critical phenomenon is an intrinsic feature of traffic dynamics, during which transition between isolated local flows and global flows occurs. However, very little attention has been given to the question of how the local flows in the roads are organized collectively into a global city flow. Here we characterize this organization process of traffic as “traffic percolation,” where the giant cluster of local flows disintegrates when the second largest cluster reaches its maximum. We find in real-time data of city road traffic that global traffic is dynamically composed of clusters of local flows, which are connected by bottleneck links. This organization evolves during a day with different bottleneck links appearing in different hours, but similar in the same hours in different days. A small improvement of critical bottleneck roads is found to benefit significantly the global traffic, providing a method to improve city traffic with low cost. Our results may provide insights on the relation between traffic dynamics and percolation, which can be useful for efficient transportation, epidemic control, and emergency evacuation. PMID:25552558

  4. Percolation transition in dynamical traffic network with evolving critical bottlenecks

    NASA Astrophysics Data System (ADS)

    Li, Daqing

    A critical phenomenon is an intrinsic feature of traffic dynamics, during which transition between isolated local flows and global flows occurs. However, very little attention has been given to the question of how the local flows in the roads are organized collectively into a global city flow. Here we characterize this organization process of traffic as ``traffic percolation,'' where the giant cluster of local flows disintegrates when the second largest cluster reaches its maximum. We find in real-time data of city road traffic that global traffic is dynamically composed of clusters of local flows, which are connected by bottleneck links. This organization evolves during a day with different bottleneck links appearing in different hours, but similar in the same hours in different days. A small improvement of critical bottleneck roads is found to benefit significantly the global traffic, providing a method to improve city traffic with low cost. Our results may provide insights on the relation between traffic dynamics and percolation, which can be useful for efficient transportation, epidemic control, and emergency evacuation.

  5. Critical Casimir forces in the presence of random surface fields

    NASA Astrophysics Data System (ADS)

    Maciołek, A.; Vasilyev, O.; Dotsenko, V.; Dietrich, S.

    2015-03-01

    We study critical Casimir forces (CCFs) fC for films of thickness L which in the three-dimensional bulk belong to the Ising universality class and which are exposed to random surface fields (RSFs) on both surfaces. We consider the case in which, in the absence of RSFs, the surfaces of the film belong to the surface universality class of the so-called ordinary transition. We carry out a finite-size scaling analysis and show that for weak disorder, CCFs still exhibit scaling, acquiring a random field scaling variable w that is zero for pure systems. We confirm these analytic predictions by Monte Carlo (MC) simulations. Moreover, our MC data show that fC varies as fC(w →0 ) -fC(w =0 ) ˜w2 . Asymptotically, for large L , w scales as w ˜L-0.26→0 , indicating that this type of disorder is an irrelevant perturbation of the ordinary surface universality class. However, for thin films such that w ≃1 , we find that the presence of RSFs with vanishing mean value increases significantly the strength of CCFs, as compared to systems without them, and it shifts the extremum of the scaling function of fC toward lower temperatures. But fC remains attractive.

  6. Network Randomization and Dynamic Defense for Critical Infrastructure Systems

    SciTech Connect

    Chavez, Adrian R.; Martin, Mitchell Tyler; Hamlet, Jason; Stout, William M.S.; Lee, Erik

    2015-04-01

    Critical Infrastructure control systems continue to foster predictable communication paths, static configurations, and unpatched systems that allow easy access to our nation's most critical assets. This makes them attractive targets for cyber intrusion. We seek to address these attack vectors by automatically randomizing network settings, randomizing applications on the end devices themselves, and dynamically defending these systems against active attacks. Applying these protective measures will convert control systems into moving targets that proactively defend themselves against attack. Sandia National Laboratories has led this effort by gathering operational and technical requirements from Tennessee Valley Authority (TVA) and performing research and development to create a proof-of-concept solution. Our proof-of-concept has been tested in a laboratory environment with over 300 nodes. The vision of this project is to enhance control system security by converting existing control systems into moving targets and building these security measures into future systems while meeting the unique constraints that control systems face.

  7. Stochastic Approximation of Dynamical Exponent at Quantum Critical Point

    NASA Astrophysics Data System (ADS)

    Suwa, Hidemaro; Yasuda, Shinya; Todo, Synge

    We have developed a unified finite-size scaling method for quantum phase transitions that requires no prior knowledge of the dynamical exponent z. During a quantum Monte Carlo simulation, the temperature is automatically tuned by the Robbins-Monro stochastic approximation method, being proportional to the lowest gap of the finite-size system. The dynamical exponent is estimated in a straightforward way from the system-size dependence of the temperature. As a demonstration of our novel method, the two-dimensional S = 1 / 2 quantum XY model, or equivalently the hard-core boson system, in uniform and staggered magnetic fields is investigated in the combination of the world-line quantum Monte Carlo worm algorithm. In the absence of a uniform magnetic field, we obtain the fully consistent result with the Lorentz invariance at the quantum critical point, z = 1 . Under a finite uniform magnetic field, on the other hand, the dynamical exponent becomes two, and the mean-field universality with effective dimension (2+2) governs the quantum phase transition. We will discuss also the system with random magnetic fields, or the dirty boson system, bearing a non-trivial dynamical exponent.Reference: S. Yasuda, H. Suwa, and S. Todo Phys. Rev. B 92, 104411 (2015); arXiv:1506.04837

  8. Dynamic wetting on anisotropic patterned surfaces

    NASA Astrophysics Data System (ADS)

    Do-Quang, Minh; Wang, Jiayu; Nita, Satoshi; Shiomi, Junichiro; Amberg, Gustav; Physiochemical fluid mechanics Team; Maruyama-Chiashi Laboratory Team

    2014-11-01

    Dynamic wetting, as occurs when a droplet of a wetting liquid is brought in contact with a dry solid, is important in various engineering processes, such as printing, coating, and lubrication. Our overall aim is to investigate if and how the detailed properties of the solid surface influence the dynamics of wetting. We have recently quantified the hindering effect of fairly isotropic micron-sized patterns on the substrate. Here we will study highly anisotropic surfaces, such as parallel grooves, either perpendicular or parallel to an advancing contact line. This is done by detailed phase field simulations and experiments on structured silicon surfaces. The dynamic wetting behavior of drops on the grooved surfaces is governed by the combined interplay of the wetting line friction and the internal viscous dissipation. Influence of roughness is quantified in terms of the energy dissipation rate at the contact line using the experiment-simulation combined analysis. The energy dissipation of the contact line at the different part of the groove will be discussed. The performance of the model is assessed by comparing its predictions with the experimental data. This work was financially supported in part by, the Japan Society for the Promotion of Science (J.W., S.N., and J.S) and Swedish Governmental Agency for Innovation Systems (M.D.-Q. and G.A).

  9. Unstable dynamics, nonequilibrium phases, and criticality in networked excitable media

    SciTech Connect

    Franciscis, S. de; Torres, J. J.; Marro, J.

    2010-10-15

    Excitable systems are of great theoretical and practical interest in mathematics, physics, chemistry, and biology. Here, we numerically study models of excitable media, namely, networks whose nodes may occasionally be dormant and the connection weights are allowed to vary with the system activity on a short-time scale, which is a convenient and realistic representation. The resulting global activity is quite sensitive to stimuli and eventually becomes unstable also in the absence of any stimuli. Outstanding consequences of such unstable dynamics are the spontaneous occurrence of various nonequilibrium phases--including associative-memory phases and one in which the global activity wanders irregularly, e.g., chaotically among all or part of the dynamic attractors--and 1/f noise as the system is driven into the phase region corresponding to the most irregular behavior. A net result is resilience which results in an efficient search in the model attractor space that can explain the origin of some observed behavior in neural, genetic, and ill-condensed matter systems. By extensive computer simulation we also address a previously conjectured relation between observed power-law distributions and the possible occurrence of a ''critical state'' during functionality of, e.g., cortical networks, and describe the precise nature of such criticality in the model which may serve to guide future experiments.

  10. Unstable dynamics, nonequilibrium phases, and criticality in networked excitable media.

    PubMed

    de Franciscis, S; Torres, J J; Marro, J

    2010-10-01

    Excitable systems are of great theoretical and practical interest in mathematics, physics, chemistry, and biology. Here, we numerically study models of excitable media, namely, networks whose nodes may occasionally be dormant and the connection weights are allowed to vary with the system activity on a short-time scale, which is a convenient and realistic representation. The resulting global activity is quite sensitive to stimuli and eventually becomes unstable also in the absence of any stimuli. Outstanding consequences of such unstable dynamics are the spontaneous occurrence of various nonequilibrium phases--including associative-memory phases and one in which the global activity wanders irregularly, e.g., chaotically among all or part of the dynamic attractors--and 1/f noise as the system is driven into the phase region corresponding to the most irregular behavior. A net result is resilience which results in an efficient search in the model attractor space that can explain the origin of some observed behavior in neural, genetic, and ill-condensed matter systems. By extensive computer simulation we also address a previously conjectured relation between observed power-law distributions and the possible occurrence of a "critical state" during functionality of, e.g., cortical networks, and describe the precise nature of such criticality in the model which may serve to guide future experiments. PMID:21230236

  11. General Critical Properties of the Dynamics of Scientific Discovery

    SciTech Connect

    Bettencourt, L. M. A.; Kaiser, D. I.

    2011-05-31

    Scientific fields are difficult to define and compare, yet there is a general sense that they undergo similar stages of development. From this point of view it becomes important to determine if these superficial similarities can be translated into a general framework that would quantify the general advent and subsequent dynamics of scientific ideas. Such a framework would have important practical applications of allowing us to compare fields that superficially may appear different, in terms of their subject matter, research techniques, typical collaboration size, etc. Particularh' important in a field's history is the moment at which conceptual and technical unification allows widespread exchange of ideas and collaboration, at which point networks of collaboration show the analog of a percolation phenomenon, developing a giant connected component containing most authors. Here we investigate the generality of this topological transition in the collaboration structure of scientific fields as they grow and become denser. We develop a general theoretical framework in which each scientific field is an instantiation of the same large-scale topological critical phenomenon. We consider whether the evidence from a variety of specific fields is consistent with this picture, and estimate critical exponents associated with the transition. We then discuss the generality of the phenomenon and to what extent we may expect other scientific fields — including very large ones — to follow the same dynamics.

  12. Critical behavior of epidemic spreading in dynamic small world networks

    NASA Astrophysics Data System (ADS)

    Stone, Thomas; McKay, Susan

    2010-03-01

    Dynamic small-world (DSW) contact networks model populations that have fixed short range links but time varying stochastic long range links between individuals, such as in mobile populations. The measure of mobility is given by a parameter p that is directly analogous to the rewiring parameter in standard small-world networks. This study investigates the relative effects of vaccinations and avoidance of infected individuals in a susceptible-infected-recovered (SIR) epidemic model on a DSW network. We derive (1) the critical mobility required for an outbreak to occur as a function of the disease's infectivity, recovery rate, avoidance rate, and vaccination rate and (2) an expression to calculate the amount of vaccination and/or avoidance necessary to prevent the disease-free to endemic transition. Agreement between these calculated points and numerical simulation is excellent. We then show via finite size scaling that the transition is indeed a continuous phase transition and find the associated critical exponent. From this and other scaling relations at the critical point we can comment on the model's potential universality.

  13. Study of critical dynamics in fluids via molecular dynamics in canonical ensemble.

    PubMed

    Roy, Sutapa; Das, Subir K

    2015-12-01

    With the objective of understanding the usefulness of thermostats in the study of dynamic critical phenomena in fluids, we present results for transport properties in a binary Lennard-Jones fluid that exhibits liquid-liquid phase transition. Various collective transport properties, calculated from the molecular dynamics (MD) simulations in canonical ensemble, with different thermostats, are compared with those obtained from MD simulations in microcanonical ensemble. It is observed that the Nosé-Hoover and dissipative particle dynamics thermostats are useful for the calculations of mutual diffusivity and shear viscosity. The Nosé-Hoover thermostat, however, as opposed to the latter, appears inadequate for the study of bulk viscosity. PMID:26687057

  14. Stochastic approximation of dynamical exponent at quantum critical point

    NASA Astrophysics Data System (ADS)

    Yasuda, Shinya; Suwa, Hidemaro; Todo, Synge

    2015-09-01

    We have developed a unified finite-size scaling method for quantum phase transitions that requires no prior knowledge of the dynamical exponent z . During a quantum Monte Carlo simulation, the temperature is automatically tuned by the Robbins-Monro stochastic approximation method, being proportional to the lowest gap of the finite-size system. The dynamical exponent is estimated in a straightforward way from the system-size dependence of the temperature. As a demonstration of our novel method, the two-dimensional S =1 /2 quantum X Y model in uniform and staggered magnetic fields is investigated in the combination of the world-line quantum Monte Carlo worm algorithm. In the absence of a uniform magnetic field, we obtain the fully consistent result with the Lorentz invariance at the quantum critical point, z =1 , i.e., the three-dimensional classical X Y universality class. Under a finite uniform magnetic field, on the other hand, the dynamical exponent becomes two, and the mean-field universality with effective dimension (2 +2 ) governs the quantum phase transition.

  15. Dynamic contact angle cycling homogenizes heterogeneous surfaces.

    PubMed

    Belibel, R; Barbaud, C; Mora, L

    2016-12-01

    In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. PMID:27612817

  16. Dynamic bioactive stimuli-responsive polymeric surfaces

    NASA Astrophysics Data System (ADS)

    Pearson, Heather Marie

    This dissertation focuses on the design, synthesis, and development of antimicrobial and anticoagulant surfaces of polyethylene (PE), polypropylene (PP), and poly(tetrafluoroethylene) (PTFE) polymers. Aliphatic polymeric surfaces of PE and PP polymers functionalized using click chemistry reactions by the attachment of --COOH groups via microwave plasma reactions followed by functionalization with alkyne moieties. Azide containing ampicillin (AMP) was synthesized and subsequently clicked into the alkyne prepared PE and PP surfaces. Compared to non-functionalized PP and PE surfaces, the AMP clicked surfaces exhibited substantially enhanced antimicrobial activity against Staphylococcus aureus bacteria. To expand the biocompatibility of polymeric surface anticoagulant attributes, PE and PTFE surfaces were functionalized with pH-responsive poly(2-vinyl pyridine) (P2VP) and poly(acrylic acid) (PAA) polyelectrolyte tethers terminated with NH2 and COOH groups. The goal of these studies was to develop switchable stimuli-responsive polymeric surfaces that interact with biological environments and display simultaneous antimicrobial and anticoagulant properties. Antimicrobial AMP was covalently attached to --COOH terminal ends of protected PAA, while anticoagulant heparin (HEP) was attached to terminal --NH2 groups of P2VP. When pH < 2.3, the P2VP segments are protonated and extend, but for pH > 5.5, they collapse while the PAA segments extend. Such surfaces, when exposed to Staphylococcus aureus, inhibit bacterial growth due to the presence of AMP, as well as are effective anticoagulants due to the presence of covalently attached HEP. Comparison of these "dynamic" pH responsive surfaces with "static" surfaces terminated with AMP entities show significant enhancement of longevity and surface activity against microbial film formation. The last portion of this dissertation focuses on the covalent attachment of living T1 and Φ11 bacteriophages (phages) on PE and PTFE surface

  17. Dynamical critical behavior of the Ziff-Gulari-Barshad model with quenched impurities

    NASA Astrophysics Data System (ADS)

    de Andrade, M. F.; Figueiredo, W.

    2016-08-01

    The simplest model to explain the CO oxidation in some catalytic processes is the Ziff-Gulari-Barshad (ZGB) model. It predicts a continuous phase transition between an active phase and an absorbing phase composed of O atoms. By employing Monte Carlo simulations we investigate the dynamical critical behavior of the model as a function of the concentration of fixed impurities over the catalytic surface. By means of an epidemic analysis we calculate the critical exponents related to the survival probability Ps (t), the number of empty sites nv (t), and the mean square displacement R2 (t). We show that the critical exponents depend on the concentration of impurities over the lattice, even for small values of this quantity. We also show that the exponents do not belong to the Directed Percolation universality class and are in agreement with the Harris criterion since the quenched impurities behave as a weak disorder in the system.

  18. Static and Dynamic Verification of Critical Software for Space Applications

    NASA Astrophysics Data System (ADS)

    Moreira, F.; Maia, R.; Costa, D.; Duro, N.; Rodríguez-Dapena, P.; Hjortnaes, K.

    Space technology is no longer used only for much specialised research activities or for sophisticated manned space missions. Modern society relies more and more on space technology and applications for every day activities. Worldwide telecommunications, Earth observation, navigation and remote sensing are only a few examples of space applications on which we rely daily. The European driven global navigation system Galileo and its associated applications, e.g. air traffic management, vessel and car navigation, will significantly expand the already stringent safety requirements for space based applications Apart from their usefulness and practical applications, every single piece of onboard software deployed into the space represents an enormous investment. With a long lifetime operation and being extremely difficult to maintain and upgrade, at least when comparing with "mainstream" software development, the importance of ensuring their correctness before deployment is immense. Verification &Validation techniques and technologies have a key role in ensuring that the onboard software is correct and error free, or at least free from errors that can potentially lead to catastrophic failures. Many RAMS techniques including both static criticality analysis and dynamic verification techniques have been used as a means to verify and validate critical software and to ensure its correctness. But, traditionally, these have been isolated applied. One of the main reasons is the immaturity of this field in what concerns to its application to the increasing software product(s) within space systems. This paper presents an innovative way of combining both static and dynamic techniques exploiting their synergy and complementarity for software fault removal. The methodology proposed is based on the combination of Software FMEA and FTA with Fault-injection techniques. The case study herein described is implemented with support from two tools: The SoftCare tool for the SFMEA and SFTA

  19. Critical adsorption of copolymer tethered on selective surfaces

    NASA Astrophysics Data System (ADS)

    Li, Hong; Qian, Chang-Ji; Luo, Meng-Bo

    2016-04-01

    Critical adsorption behaviors of flexible copolymer chains tethered to a flat homogeneous surface are studied by using Monte Carlo simulations. We have compared the critical adsorption temperature Tc, estimated by a finite-size scaling method, for different AB copolymer sequences with A the attractive monomer and B the inert monomer. We find that Tc increases with an increase in the fraction of monomers A, fA, in copolymers, and it increases with an increase in the length of block A for the same fA. In particular, Tc of copolymer (AnBn)r can be expressed as a function of the block length, n, and Tc of copolymer (AnB)r and (ABm)r can be expressed as a linear function of fA. Tc of random copolymer chains also can be expressed as a linear function of fA and it can be estimated by using weight-average of Tc of different diblocks in the random copolymer. However, the crossover exponent is roughly independent of AB sequence distributions either for block copolymers or for random copolymers.

  20. Criticality and surface tension in rotating horizon thermodynamics

    NASA Astrophysics Data System (ADS)

    Hansen, Devin; Kubizňák, David; Mann, Robert B.

    2016-08-01

    We study a modified horizon thermodynamics and the associated criticality for rotating black hole spacetimes. Namely, we show that under a virtual displacement of the black hole horizon accompanied by an independent variation of the rotation parameter, the radial Einstein equation takes a form of a ‘cohomogeneity two’ horizon first law, δ E=Tδ S+{{Ω }}δ J-σ δ A, where E and J are the horizon energy (an analogue of the Misner–Sharp mass) and the horizon angular momentum, Ω is the horizon angular velocity, A is the horizon area, and σ is the surface tension induced by the matter fields. For fixed angular momentum, the above equation simplifies and the more familiar (cohomogeneity one) horizon first law δ E=Tδ S-Pδ V is obtained, where P is the pressure of matter fields and V is the horizon volume. A universal equation of state is obtained in each case and the corresponding critical behavior is studied.

  1. 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. PMID:25314540

  2. Dynamical criticality in the collective activity of a neural population

    NASA Astrophysics Data System (ADS)

    Mora, Thierry

    The past decade has seen a wealth of physiological data suggesting that neural networks may behave like critical branching processes. Concurrently, the collective activity of neurons has been studied using explicit mappings to classic statistical mechanics models such as disordered Ising models, allowing for the study of their thermodynamics, but these efforts have ignored the dynamical nature of neural activity. I will show how to reconcile these two approaches by learning effective statistical mechanics models of the full history of the collective activity of a neuron population directly from physiological data, treating time as an additional dimension. Applying this technique to multi-electrode recordings from retinal ganglion cells, and studying the thermodynamics of the inferred model, reveals a peak in specific heat reminiscent of a second-order phase transition.

  3. Near Surface Seismic Reflection Imaging: Great Potential Under Critical Eye

    NASA Astrophysics Data System (ADS)

    Miller, R. D.; Peterie, S.; Judy, B. E.

    2014-12-01

    Seismic-reflection imaging has long been a mainstay in the oil and gas exploration community with mind boggling advancements in just the last decade, but its application to engineering, environmental, and groundwater problems has not seen the same level of utilization. A great deal of the problem lies in the many assumptions that are valid for deep exploration that are violated in the very complex near surface. Large channel systems with acquisition geometries conducive for both deep and shallow targets are many times assumed to be capable of extending the imaging depth window. In reality, constraints of the source and sensor/recording systems must be considered, where large powerful sources are needed to image exploration depths while low-energy, high-frequency sources are required for the shallow and thin targets in the near surface. Attempts to make one size fit all will result in artifacts that result in bogus images and characterizations in the shallow subsurface.Narrow optimum offsets, highly attenuative materials, extreme velocity variability, wavefield interference, and low signal-to-noise ratios provide an ideal breeding ground for the generation of artifacts on near-surface seismic-reflection data. With the cost of shallow reflection data being so high relative to other geophysical methods and invasive sampling, sometimes a single failure can hinder the growth in the use of the method. The method is extremely powerful and has the potential to provide vast quantities of information critical to understand the distributed hydrogeological and biogeochemical processes that elude borehole investigations. It is imperative that data be acquired in its rawest possible form and be processed with an eye to each operation. Cost savings sometimes result in one-size-fits-all acquisition and automated processing flows. Attention to detail and following signal from origination to characterization is essential.

  4. Synchronization of Cardio-Respiratory Dynamics in Critically Ill Patients.

    NASA Astrophysics Data System (ADS)

    Burykin, Anton; Buchman, Timothy

    2008-03-01

    We studied changes in cardio-respiratory synchronization and dynamics of cardiovascular system during transition from mechanical ventilation to spontaneous respiration in critically ill patients. This observational study exploits a standard clinical practice---the spontaneous breathing trial (SBT). The SBT consists of a period of mechanical ventilation, followed by a period of spontaneous breathing, followed by resumption of mechanical ventilation. We collected continuous respiratory, cardiac (EKG), and blood pressure signals of mechanically ventilated patients before, during and after SBT. The data were analyzed by means of spectral analysis, phase dynamics, and entropy measures. Mechanical ventilation appears to affect not only the lungs but also the cardiac and vascular systems. Spontaneous cardiovascular rhythms are entrained by the mechanical ventilator and are drawn into synchrony. Sudden interruption of mechanical ventilation causes gross desynchronization, which is restored by reinstitution of mechanical ventilation. The data suggest (1) therapies intended to support one organ system may propagate unanticipated effects to other organ systems and (2) sustained therapies may adversely affect recovery of normal organ system interactions.

  5. Frictional dynamics of viscoelastic solids driven on a rough surface

    NASA Astrophysics Data System (ADS)

    Landes, François P.; Rosso, Alberto; Jagla, E. A.

    2015-07-01

    We study the effect of viscoelastic dynamics on the frictional properties of a (mean-field) spring-block system pulled on a rough surface by an external drive. When the drive moves at constant velocity V , two dynamical regimes are observed: at fast driving, above a critical threshold Vc, the system slides at the drive velocity and displays a friction force with velocity weakening. Below Vc the steady sliding becomes unstable and a stick-slip regime sets in. In the slide-hold-slide driving protocol, a peak of the friction force appears after the hold time and its amplitude increases with the hold duration. These observations are consistent with the frictional force encoded phenomenologically in the rate-and-state equations. Our model gives a microscopical basis for such macroscopic description.

  6. Frictional dynamics of viscoelastic solids driven on a rough surface.

    PubMed

    Landes, François P; Rosso, Alberto; Jagla, E A

    2015-07-01

    We study the effect of viscoelastic dynamics on the frictional properties of a (mean-field) spring-block system pulled on a rough surface by an external drive. When the drive moves at constant velocity V, two dynamical regimes are observed: at fast driving, above a critical threshold V(c), the system slides at the drive velocity and displays a friction force with velocity weakening. Below V(c) the steady sliding becomes unstable and a stick-slip regime sets in. In the slide-hold-slide driving protocol, a peak of the friction force appears after the hold time and its amplitude increases with the hold duration. These observations are consistent with the frictional force encoded phenomenologically in the rate-and-state equations. Our model gives a microscopical basis for such macroscopic description. PMID:26274186

  7. The Surface Wave Dynamics Experiment (SWADE)

    NASA Technical Reports Server (NTRS)

    Mollo-Christensen, Erik; Oberholtzer, J. David

    1991-01-01

    The Surface Wave Dynamics Experiment is designed to provide the basic data needed to understand the wind-wave interactions in the open ocean. During the period of October 1990 through March 1991 two discus, four meteorological buoys, and several other specialized buoys will collect continuous in-situ data. During three intensive periods of study, several aircraft and an airship will collect synoptic data from the study area in the Atlantic east of the Wallops Flight Facility. Data from the buoys will be collected by aircraft and ARGOS data links. Instrumentation descriptions as well as preliminary data from the first intensive study period are presented.

  8. Characterization of Probe Dynamic Behaviors in Critical Dimension Atomic Force Microscopy.

    PubMed

    Feng, Shaw C; Joung, Che Bong; Vorburger, Theodore V

    2009-01-01

    This paper describes a detailed computational model of the interaction between an atomic force microscope probe tip and a sample surface. The model provides analyses of dynamic behaviors of the tip to estimate the probe deflections due to surface intermittent contact and the resulting dimensional biases and uncertainties. Probe tip and cantilever beam responses to intermittent contact between the probe tip and sample surface are computed using the finite element method. Intermittent contacts with a wall and a horizontal surface are computed and modeled, respectively. Using a 75 nm Critical Dimension (CD) tip as an example, the responses of the probe to interaction forces between the sample surface and the probe tip are shown in both time and frequency domains. In particular, interaction forces between the tip and both a vertical wall and a horizontal surface of a silicon sample are modeled using Lennard-Jones theory. The Snap-in and Snap-out of the probe tip in surface scanning are calculated and shown in the time domain. Based on the given tip-sample interaction force model, the calculation includes the compliance of the probe and dynamic forces generated by an excitation. Cantilever and probe tip deflections versus interaction forces in the time domain can be derived for both vertical contact with a plateau and horizontal contact with a side wall. Dynamic analysis using the finite element method and Lennard-Jones model provide a unique means to analyze the interaction of the probe and sample, including calculation of the deflection and the gap between the probe tip and the measured sample surface. PMID:27504222

  9. Characterization of Probe Dynamic Behaviors in Critical Dimension Atomic Force Microscopy

    PubMed Central

    Feng, Shaw C.; Joung, Che Bong; Vorburger, Theodore V.

    2009-01-01

    This paper describes a detailed computational model of the interaction between an atomic force microscope probe tip and a sample surface. The model provides analyses of dynamic behaviors of the tip to estimate the probe deflections due to surface intermittent contact and the resulting dimensional biases and uncertainties. Probe tip and cantilever beam responses to intermittent contact between the probe tip and sample surface are computed using the finite element method. Intermittent contacts with a wall and a horizontal surface are computed and modeled, respectively. Using a 75 nm Critical Dimension (CD) tip as an example, the responses of the probe to interaction forces between the sample surface and the probe tip are shown in both time and frequency domains. In particular, interaction forces between the tip and both a vertical wall and a horizontal surface of a silicon sample are modeled using Lennard-Jones theory. The Snap-in and Snap-out of the probe tip in surface scanning are calculated and shown in the time domain. Based on the given tip-sample interaction force model, the calculation includes the compliance of the probe and dynamic forces generated by an excitation. Cantilever and probe tip deflections versus interaction forces in the time domain can be derived for both vertical contact with a plateau and horizontal contact with a side wall. Dynamic analysis using the finite element method and Lennard-Jones model provide a unique means to analyze the interaction of the probe and sample, including calculation of the deflection and the gap between the probe tip and the measured sample surface. PMID:27504222

  10. Observing Global Surface Water Flood Dynamics

    NASA Astrophysics Data System (ADS)

    Bates, Paul D.; Neal, Jefferey C.; Alsdorf, Douglas; Schumann, Guy J.-P.

    2014-05-01

    Flood waves moving along river systems are both a key determinant of globally important biogeochemical and ecological processes and, at particular times and particular places, a major environmental hazard. In developed countries, sophisticated observing networks and ancillary data, such as channel bathymetry and floodplain terrain, exist with which to understand and model floods. However, at global scales, satellite data currently provide the only means of undertaking such studies. At present, there is no satellite mission dedicated to observing surface water dynamics and, therefore, surface water scientists make use of a range of sensors developed for other purposes that are distinctly sub-optimal for the task in hand. Nevertheless, by careful combination of the data available from topographic mapping, oceanographic, cryospheric and geodetic satellites, progress in understanding some of the world's major river, floodplain and wetland systems can be made. This paper reviews the surface water data sets available to hydrologists on a global scale and the recent progress made in the field. Further, the paper looks forward to the proposed NASA/CNES Surface Water Ocean Topography satellite mission that may for the first time provide an instrument that meets the needs of the hydrology community.

  11. Experimental Studies of Dynamics at Solid Surfaces

    NASA Astrophysics Data System (ADS)

    Germer, Thomas Avery

    1992-01-01

    Measurements of thermal and photoinduced processes on metal surfaces point to the importance of transient intermediate species in the understanding of dynamics. Experiments were performed using photoinduced desorption (PID), thermal desorption spectroscopy (TDS), high-resolution and time -resolved electron-energy-loss spectroscopy (HREELS and TREELS), and femtosecond multiphoton photoemission spectroscopy. The thermal and photoinduced reactions of Mo(CO)_6 adsorbed on Rh(100) were studied to better understand energy transfer between a photoexcited molecule and a metal surface. The Mo(CO)_6 partially dissociated upon adsorption, allowing a comparison to be made between Mo(CO)_6 adsorbed on the fragment-covered surface and a more ordered CO-covered surface. The energy transfer rate was found to be larger on the fragment-covered surface. The thermal reaction of hydrogen gas with oxygen adsorbed on Pt(111) was studied with TREELS between 130 and 160 K, observing the modes associated with hydroxyl adsorbed on the surface as a function of time while the sample, preadsorbed with atomic oxygen, was exposed to hydrogen gas. In coordination between Monte Carlo calculations and kinetic simulations, a model was developed whereby the reaction to form hydroxyl occurred between a molecular hydrogen precursor and oxygen at island boundaries. The photoinduced reaction of adsorbed atomic hydrogen and molecular oxygen to form hydroxyl and water on Pt(111) was studied in order to understand the reactivity of the hot oxygen atoms produced by photodissociation of molecular oxygen. The final products of the two oxygen -hydrogen reactions were the same. A measurement was made of the cross section for NO photodesorption from Pt(111) at 90 K. All of these experiments pointed to a need to make transient measurements on the ultrashort time scale in order to develop a more microscopic understanding of the dynamical processes that are occurring. As a result, a novel time-of-flight analyzer was

  12. Dynamic wormholes, antitrapped surfaces, and energy conditions

    SciTech Connect

    Hochberg, D.; Visser, M.

    1998-08-01

    It is by now apparent that topology is too crude a tool to accurately characterize a generic traversable wormhole. In two earlier papers we developed a complete characterization of generic but static traversable wormholes, and in the present paper extend the discussion to arbitrary time-dependent (dynamical) wormholes. A local definition of a wormhole throat, free from assumptions about asymptotic flatness, symmetries, future and past null infinities, embedding diagrams, topology, and even time dependence is developed that accurately captures the essence of what a wormhole throat is, and where it is located. Adapting and extending a suggestion due to Page, we define a wormhole throat to be a marginally anti-trapped surface, that is, a closed two-dimensional spatial hypersurface such that one of the two future-directed null geodesic congruences orthogonal to it is just beginning to diverge. Typically a dynamic wormhole will possess {ital two} such throats, corresponding to the two orthogonal null geodesic congruences, and these two throats will not coincide (though they do coalesce into a single throat in the static limit). The divergence property of the null geodesics at the marginally anti-trapped surface generalizes the {open_quotes}flare-out{close_quotes} condition for an arbitrary wormhole. We derive theorems regarding violations of the null energy condition (NEC) at and near these throats and find that, even for wormholes with arbitrary time dependence, the violation of the NEC is a generic property of wormhole throats. We also discuss wormhole throats in the presence of fully antisymmetric torsion and find that the energy condition violations {ital cannot} be dumped into the torsion degrees of freedom. Finally by means of a concrete example we demonstrate that even temporary suspension of energy-condition violations is incompatible with the flare-out property of dynamic throats. {copyright} {ital 1998} {ital The American Physical Society}

  13. Free surface dynamics of nematic liquid crystal

    NASA Astrophysics Data System (ADS)

    Cummings, Linda; Kondic, Lou; Lam, Michael; Lin, Te-Sheng

    2014-11-01

    Spreading thin films of nematic liquid crystal (NLC) are known to behave very differently to those of isotropic fluids. The polar interactions of the rod-like molecules with each other, and the interactions with the underlying substrate, can lead to intricate patterns and instabilities that are not yet fully understood. The physics of a system even as simple as a film of NLC spreading slowly over a surface (inclined or horizontal) are remarkably complex: the outcome depends strongly on the details of the NLC's behavior at both the substrate and the free surface (so-called ``anchoring'' effects). We will present a dynamic flow model that takes careful account of such nematic-substrate and nematic-free surface interactions. We will present model simulations for several different flow scenarios that indicate the variety of behavior that can emerge. Spreading over a horizontal substrate may exhibit a range of unstable behavior. Flow down an incline also exhibits intriguing instabilities: in addition to the usual transverse fingering, instabilities can be manifested behind the flowing front in a manner reminiscent of Newtonian flow down an inverted substrate. NSF DMS-1211713.

  14. Dynamics of surface tension in microgravity environment

    NASA Technical Reports Server (NTRS)

    Hung, R. J.; Tsao, Y. D.; Leslie, F. W.; Hong, B. B.

    1990-01-01

    Time-dependent evolutions of the profile of free surface (bubble shapes) for a cylindrical container partially filled with a Newtonian fluid of constant density, rotating about its axis of symmetry, in low and microgravity environments, have been studied. Numerical computations of the dynamics of bubble shapes have been carried out (1) linear time-dependent functions of spin-up and spin-down in low and microgravity environments, (2) linear time-dependent functions of increasing and decreasing gravity environment at high and low rotating cylinder speeds, (3) time-dependent step functions of spin-up and spin-down in a low-gravity environment, and (4) sinusoidal function oscillation of the gravity environment at high and low rotating cylinder speeds.

  15. Chain dynamics near surfaces: an unconventional approach

    NASA Astrophysics Data System (ADS)

    Masson, Jean-Loup; Green, Peter

    2001-03-01

    Chain dynamics near surfaces: an unconventional approach Jean-Loup Masson and Peter F. Green Graduate Program in Materials Science and Department of Chemical Engineering The University of Texas at Austin When the thickness of a polymer film is comparable to the radius of gyration, or a few radii of gyration, of the polymer chains, the properties of the film can differ appreciably from the bulk. Indeed, recent studies have documented the existence of changes of the glass transition, translational chain diffusion and the viscosity, with decreasing film thickness. For liquid films, a few tens of nanometers thick, on substrates, the disjoining pressure has a significant effect on the stability of the film. This can result on the formation of patterns reflecting fluctuations in the local film thickness. The structural, time-dependent, evolution of the film is a reflection of the effects of the disjoining pressure together with the translational dynamics of the chains. This presentation discusses the structural evolution of a thin polymer film in light of theoretical models to gain insight into the manner in which the diffusion and viscosity of the polymer changes with decreasing film thickness.

  16. Static and dynamical critical behavior of the monomer-monomer reaction model with desorption

    NASA Astrophysics Data System (ADS)

    da Costa, E. C.; Rusch, Flávio Roberto

    2016-06-01

    We studied in this work the monomer-monomer reaction model on a linear chain. The model is described by the following reaction: A + B → AB, where A and B are two monomers that arrive at the surface with probabilities yA and yB, respectively, and we have considered desorption of the monomer B with probability α. The model is studied in the adsorption controlled limit where the reaction rate is infinitely larger than the adsorption rate. We employ site and pair mean-field approximations as well as static and dynamical Monte Carlo simulations. We show that the model exhibits a continuous phase transition between an active steady state and an A-absorbing state, when the parameter yA is varied through a critical value, which depends on the value of α. Monte Carlo simulations and finite-size scaling analysis near the critical point are used to determine the static critical exponents β and ν⊥ and the dynamical critical exponents ν∥ and z. The results found for the monomer-monomer reaction model with B desorption, in the linear chain, are different from those found by E. V. Albano (Albano, 1992) and are in accordance with the values obtained by Jun Zhuo and Sidney Redner (Zhuo and Redner, 1993), and endorse the conjecture of Grassberger, which states that any system undergoing a continuous phase transition from an active steady state to a single absorbing state, exhibits the same critical behavior of the directed percolation universality class.

  17. 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.

  18. Critical contaminant/critical pathway analysis - surface water transport for nonradioactive contaminants

    SciTech Connect

    Chen, Kuo-Fu

    1996-11-01

    The health risks for an individual exposed to contaminants released from SRS outfalls from 1989 to 1995 were estimated. The exposure pathways studied are ingestion of drinking water, ingestion of contaminated fish and dermal contact with contaminants in water while swimming. The estimated incremental risks for an individual developing cancer vary from 3.E-06 to 1.0E-05. The estimated total exposure chronic noncancer hazard indices vary from 6.E-02 to 1.E-01. The critical contaminants were ranked based on their cancer risks and chronic noncarcinogenic hazard quotients. For cancer risks, the critical contaminants released from SRS outfalls are arsenic, tetrachloroethylene, and benzene. For chronic noncarcinogenic risks, the critical contaminants released from srs outfalls are cadmium, arsenic, silver, chromium, mercury, selenium, nitrate, manganese, zinc, nickel, uranium, barium, copper, tetrachloroethylene, cyanide, and phenol. The critical pathways in decreasing risk order are ingestion of contaminated fish, ingestion of drinking water and dermal contact with contaminants in water while swimming.

  19. Photoinduced bulk-surface dynamics: time resolved two photon photoemission signals at semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Ramakrishna, S.; Willig, F.; Knorr, A.

    2004-06-01

    A free particle theory of photoinduced bulk-surface dynamics at semiconductor surfaces is developed wherein relaxation processes arising from electron-electron and electron-phonon scattering are treated phenomenologically. The role played by bulk-surface dynamics in the thermalization and cooling processes of the bulk and the complementary issue of how bulk dynamics influences the surface state occupancy are both studied. Time resolved 2PPE spectra is analysed both in the context of pure bulk as well as combined bulk-surface dynamics and its relation to the time dependent populations in the conduction band and surface states is discussed.

  20. Dynamic Diversity: Toward a Contextual Understanding of Critical Mass

    ERIC Educational Resources Information Center

    Garces, Liliana M.; Jayakumar, Uma M.

    2014-01-01

    Through an analysis of relevant social science evidence, this article provides a deeper understanding of critical mass, a concept that has become central in litigation efforts related to affirmative action admissions policies that seek to further the educational benefits of diversity. We demonstrate that the concept of critical mass requires an…

  1. Critical Appraisal and Hazards of Surface Electromyography Data Acquisition in Sport and Exercise

    PubMed Central

    Pieter Clarys, Jan; Scafoglieri, Aldo; Tresignie, Jonathan; Reilly, Thomas; Van Roy, Peter

    2010-01-01

    The aim of this critical appraisal and hazards of surface electromyography (SEMG) is to enhance the data acquisition quality in voluntary but complex movements, sport and exercise in particular. The methodological and technical registration strategies deal with telemetry and online data acquisition, the placement of the detection electrodes and the choice of the most adequate normalization mode. Findings compared with the literature suggest detection quality differences between registration methods and between water and air data acquisition allowing for output differences up to 30% between registration methods and up to 25% decrease in water, considering identical measures in air and in water. Various hazards deal with erroneous choices of muscles or electrode placement and the continuous confusion created by static normalization for dynamic motion. Peak dynamic intensities ranged from 111% (in archery) to 283% (in giant slalom) of a static 100% reference. In addition, the linear relationship between integrated EMG (IEMG) as a reference for muscle intensity and muscle force is not likely to exist in dynamic conditions since it is muscle – joint angle – and fatigue dependent. Contrary to expectations, the literature shows 30% of non linear relations in isometric conditions also. SEMG in sport and exercise is highly variable and different from clinical (e.g. neurological) EMG. Choices of electrodes, registration methods, muscles, joint angles and normalization techniques may lead to confusing and erroneous or incomparable results. PMID:22375194

  2. Cell-surface translational dynamics of nicotinic acetylcholine receptors

    PubMed Central

    Barrantes, Francisco J.

    2014-01-01

    Synapse efficacy heavily relies on the number of neurotransmitter receptors available at a given time. In addition to the equilibrium between the biosynthetic production, exocytic delivery and recycling of receptors on the one hand, and the endocytic internalization on the other, lateral diffusion and clustering of receptors at the cell membrane play key roles in determining the amount of active receptors at the synapse. Mobile receptors traffic between reservoir compartments and the synapse by thermally driven Brownian motion, and become immobilized at the peri-synaptic region or the synapse by: (a) clustering mediated by homotropic inter-molecular receptor–receptor associations; (b) heterotropic associations with non-receptor scaffolding proteins or the subjacent cytoskeletal meshwork, leading to diffusional “trapping,” and (c) protein-lipid interactions, particularly with the neutral lipid cholesterol. This review assesses the contribution of some of these mechanisms to the supramolecular organization and dynamics of the paradigm neurotransmitter receptor of muscle and neuronal cells -the nicotinic acetylcholine receptor (nAChR). Currently available information stemming from various complementary biophysical techniques commonly used to interrogate the dynamics of cell-surface components is critically discussed. The translational mobility of nAChRs at the cell surface differs between muscle and neuronal receptors in terms of diffusion coefficients and residence intervals at the synapse, which cover an ample range of time regimes. A peculiar feature of brain α7 nAChR is its ability to spend much of its time confined peri-synaptically, vicinal to glutamatergic (excitatory) and GABAergic (inhibitory) synapses. An important function of the α7 nAChR may thus be visiting the territories of other neurotransmitter receptors, differentially regulating the dynamic equilibrium between excitation and inhibition, depending on its residence time in each domain. PMID

  3. Critical-point analysis of the liquid-vapor interfacial surface tension

    NASA Technical Reports Server (NTRS)

    Salvino, R. E.

    1990-01-01

    The interfacial surface tension of the liquid-vapor system is analyzed near the critical point in a manner similar to bulk thermodynamic critical-point analyses. This is accomplished by a critical-point analysis of the single-phase hard-wall surface tension. Both a Landau expansion and a scaling theory equation of state are investigated. Some general exponent relations are derived and, in addition, some thermodynamically defined correlation lengths are discussed.

  4. Another View of Dynamic Criteria: A Critical Reanalysis of Barrett, Caldwell, and Alexander.

    ERIC Educational Resources Information Center

    Austin, James T.; And Others

    1989-01-01

    A critical reanalysis of Barrett, Caldwell, and Alexander's (1985) critique of dynamic criteria. Summarizes and questions Barrett, et al.'s three definitions of dynamic criteria and their conclusion that reported temporal changes in criteria could be explained by methodological artifacts. A greater focus on dynamic criteria as constructs is…

  5. A new approach to the determination of the critical slip surfaces of slopes

    NASA Astrophysics Data System (ADS)

    Li, Liang; Cheng, Y. M.; Chu, Xue-song

    2013-03-01

    A new method for the determination of the critical slip surfaces of slopes is proposed in this paper. In this paper, the original critical slip field method is extended in terms of the total residual moment, values of residual work as well as the unbalanced thrust force at the exit point for a given non-circular slip surface. The most critical slip surface with the maximum representative value for a prescribed factor of safety will be optimized and located using the harmony search algorithm. The prescribed factor of safety is modified with certain tiny interval in order to find the critical slip surface where the maximum representative value is zero. The aforementioned approach to the location of the critical slip surface is greatly different from the traditional limit equilibrium procedure. Three typical soil slopes are evaluated by use of the proposed method, and the comparisons with the classical approaches have illustrated the applicability of the proposed method.

  6. Hydration dynamics near a model protein surface

    SciTech Connect

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

    2003-09-01

    The evolution of water dynamics from dilute to very high concentration solutions of a prototypical hydrophobic amino acid with its polar backbone, N-acetyl-leucine-methylamide (NALMA), is studied by quasi-elastic neutron scattering and molecular dynamics simulation for both the completely deuterated and completely hydrogenated leucine monomer. We observe several unexpected features in the dynamics of these biological solutions under ambient conditions. The NALMA dynamics shows evidence of de Gennes narrowing, an indication of coherent long timescale structural relaxation dynamics. The translational water dynamics are analyzed in a first approximation with a jump diffusion model. At the highest solute concentrations, the hydration water dynamics is significantly suppressed and characterized by a long residential time and a slow diffusion coefficient. The analysis of the more dilute concentration solutions takes into account the results of the 2.0M solution as a model of the first hydration shell. Subtracting the first hydration layer based on the 2.0M spectra, the translational diffusion dynamics is still suppressed, although the rotational relaxation time and residential time are converged to bulk-water values. Molecular dynamics analysis shows spatially heterogeneous dynamics at high concentration that becomes homogeneous at more dilute concentrations. We discuss the hydration dynamics results of this model protein system in the context of glassy systems, protein function, and protein-protein interfaces.

  7. Nonlinear Dynamics and Nucleation Kinetics in Near-Critical Liquids

    NASA Technical Reports Server (NTRS)

    Patashinski, Alexander Z.; Ratner, Mark A.; Pines, Vladimir

    1996-01-01

    The objective of our study is to model the nonlinear behavior of a near-critical liquid following a rapid change of the temperature and/or other thermodynamic parameters (pressure, external electric or gravitational field). The thermodynamic critical point is manifested by large, strongly correlated fluctuations of the order parameter (particle density in liquid-gas systems, concentration in binary solutions) in the critical range of scales. The largest critical length scale is the correlation radius r(sub c). According to the scaling theory, r(sub c) increases as r(sub c) = r(sub 0)epsilon(exp -alpha) when the nondimensional distance epsilon = (T - T(sub c))/T(sub c) to the critical point decreases. The normal gravity alters the nature of correlated long-range fluctuations when one reaches epsilon approximately equal to 10(exp -5), and correspondingly the relaxation time, tau(r(sub c)), is approximately equal to 10(exp -3) seconds; this time is short when compared to the typical experimental time. Close to the critical point, a rapid, relatively small temperature change may perturb the thermodynamic equilibrium on many scales. The critical fluctuations have a hierarchical structure, and the relaxation involves many length and time scales. Above the critical point, in the one-phase region, we consider the relaxation of the liquid following a sudden temperature change that simultaneously violates the equilibrium on many scales. Below T(sub c), a non-equilibrium state may include a distribution of small scale phase droplets; we consider the relaxation of such a droplet following a temperature change that has made the phase of the matrix stable.

  8. MR measurement of critical phase transition dynamics and supercritical fluid dynamics in capillary and porous media flow.

    PubMed

    Rassi, Erik M; Codd, Sarah L; Seymour, Joseph D

    2012-01-01

    Supercritical fluids (SCF) are useful solvents in green chemistry and oil recovery and are of great current interest in the context of carbon sequestration. Magnetic resonance techniques were applied to study near critical and supercritical dynamics for pump driven flow through a capillary and a packed bed porous media. Velocity maps and displacement propagators measure the dynamics of C(2)F(6) at pressures below, at, and above the critical pressure and at temperatures below and above the critical temperature. Displacement propagators were measured at various displacement observation times to quantify the time evolution of dynamics. In capillary flow, the critical phase transition fluid C(2)F(6) showed increased compressibility compared to the near critical gas and supercritical fluid. These flows exhibit large variations in buoyancy arising from large changes in density due to very small changes in temperature. PMID:22018694

  9. 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.

  10. Critical dynamics of randomly assembled and diluted threshold networks

    NASA Astrophysics Data System (ADS)

    Kürten, Karl E.; Clark, John W.

    2008-04-01

    The dynamical behavior of a class of randomly assembled networks of binary threshold units subject to random deletion of connections is studied based on the annealed approximation suitable in the thermodynamic limit. The dynamical phase diagram is constructed for several forms of the probability density distribution of nonvanishing connection strengths. The family of power-law distribution functions ρ0(x)=(1-α)/(2|x|α) is found to play a special role in expanding the domain of stable, ordered dynamics at the expense of the disordered, “chaotic” phase. Relationships with other recent studies of the dynamics of complex networks allowing for variable in-degree of the units are explored. The relevance of the pruning of network connections to neural modeling and developmental neurobiology is discussed.

  11. Critical Dynamics of Burst Instabilities in the Portevin-Le Chatelier Effect

    SciTech Connect

    D'Anna, Gianfranco; Nori, Franco

    2000-11-06

    We investigate the Portevin-Le Chatelier effect (PLC), by compressing Al-Mg alloys in a very large deformation range, and interpret the results from the viewpoint of phase transitions and critical phenomena. The system undergoes two dynamical phase transitions between intermittent (or ''jerky'') and ''laminar'' plastic dynamic phases. Near these two dynamic critical points, the order parameter 1/{tau} of the PLC effect exhibits large fluctuations, and ''critical slowing down'' (i.e., the number {tau} of bursts, or plastic instabilities, per unit time slows down considerably).

  12. Molecular dynamics description of grafted monolayers: effect of the surface coverage.

    PubMed

    Goujon, F; Bonal, C; Limoges, B; Malfreyt, P

    2008-11-13

    Molecular dynamics simulations of monolayers of metal-chelating ligands grafted onto a graphite surface in water are carried out to calculate structural (density profiles, radius of gyration, and asphericity coefficients), dynamical (diffusion coefficients), and energetical properties as a function of the surface coverage. The purpose is to provide a better understanding of the dependence of various properties of these monolayers on the surface coverage. A critical value of the surface coverage from which all structural properties derive a limiting value has been established. It also appears that the chains rather adopt an elongated conformation along the direction normal to the surface from this critical surface coverage. The hydrogen-bonding structure and dynamics of water molecules are reported. An ordered structure of water in the region close to the terminal groups of the grafted molecules is shown at a relatively high surface coverage. This ordering is similar to that observed in the case of water in interaction with a solid surface. PMID:18928312

  13. Critical Dynamics in Quenched 2D Atomic Gases

    NASA Astrophysics Data System (ADS)

    Larcher, F.; Dalfovo, F.; Proukakis, N. P.

    2016-05-01

    Non-equilibrium dynamics across phase transitions is a subject of intense investigations in diverse physical systems. One of the key issues concerns the validity of the Kibble-Zurek (KZ) scaling law for spontaneous defect creation. The KZ mechanism has been recently studied in cold atoms experiments. Interesting open questions arise in the case of 2D systems, due to the distinct nature of the Berezinskii-Kosterlitz-Thouless (BKT) transition. Our studies rely on the stochastic Gross-Pitaevskii equation. We perform systematic numerical simulations of the spontaneous emergence and subsequent dynamics of vortices in a uniform 2D Bose gas, which is quenched across the BKT phase transition in a controlled manner, focusing on dynamical scaling and KZ-type effects. By varying the transverse confinement, we also look at the extent to which such features can be seen in current experiments. Financial support from EPSRC and Provincia Autonoma di Trento.

  14. Dynamics of free surface perturbations along an annular viscous film

    NASA Astrophysics Data System (ADS)

    Smolka, Linda B.; North, Justin; Guerra, Bree K.

    2008-03-01

    It is known that the free surface of an axisymmetric viscous film flowing down the outside of a thin vertical fiber under the influence of gravity becomes unstable to interfacial perturbations. We present an experimental study using fluids with different densities, surface tensions, and viscosities to investigate the growth and dynamics of these interfacial perturbations and to test the assumptions made by previous authors. We find that the initial perturbation growth is exponential, followed by a slower phase as the amplitude and wavelength saturate in size. Measurements of the perturbation growth for experiments conducted at low and moderate Reynolds numbers are compared to theoretical predictions developed from linear stability theory. Excellent agreement is found between predictions from a long-wave Stokes flow model [Craster and Matar, J. Fluid Mech. 553, 85 (2006)] and data, while fair to excellent agreement (depending on fiber size) is found between predictions from a moderate-Reynolds-number model [Sisoev , Chem. Eng. Sci. 61, 7279 (2006)] and data. Furthermore, we find that a known transition in the longer-time perturbation dynamics from unsteady to steady behavior at a critical flow rate Qc is correlated with a transition in the rate at which perturbations naturally form along the fiber. For QQc (unsteady case), the rate of perturbation formation is modulated. As a result, the position along the fiber where perturbations form oscillates irregularly, and the initial speed and spacing between perturbations varies, resulting in the coalescence of neighboring perturbations further down the fiber.

  15. Co-GISAXS technique for investigating surface growth dynamics

    SciTech Connect

    Rainville, Meliha G.; Hoskin, Christa; Ulbrandt, Jeffrey G.; Narayanan, Suresh; Sandy, Alec R.; Zhou, Hua; Headrick, Randall L.; Ludwig, Jr., Karl F.

    2015-12-08

    Detailed quantitative measurement of surface dynamics during thin film growth is a major experimental challenge. Here X-ray Photon Correlation Spectroscopy with coherent hard X-rays is used in a Grazing-Incidence Small-Angle X-ray Scattering (i.e. Co-GISAXS) geometry as a new tool to investigate nanoscale surface dynamics during sputter deposition of a-Si and a-WSi2 thin films. For both films, kinetic roughening during surface growth reaches a dynamic steady state at late times in which the intensity autocorrelation function g2(q,t) becomes stationary. The g2(q,t) functions exhibit compressed exponential behavior at all wavenumbers studied. The overall dynamics are complex, but the most surface sensitive sections of the structure factor and correlation time exhibit power law behaviors consistent with dynamical scaling.

  16. Atomistic spin dynamics and surface magnons.

    PubMed

    Etz, Corina; Bergqvist, Lars; Bergman, Anders; Taroni, Andrea; Eriksson, Olle

    2015-06-24

    Atomistic spin dynamics simulations have evolved to become a powerful and versatile tool for simulating dynamic properties of magnetic materials. It has a wide range of applications, for instance switching of magnetic states in bulk and nano-magnets, dynamics of topological magnets, such as skyrmions and vortices and domain wall motion. In this review, after a brief summary of the existing investigation tools for the study of magnons, we focus on calculations of spin-wave excitations in low-dimensional magnets and the effect of relativistic and temperature effects in such structures. In general, we find a good agreement between our results and the experimental values. For material specific studies, the atomistic spin dynamics is combined with electronic structure calculations within the density functional theory from which the required parameters are calculated, such as magnetic exchange interactions, magnetocrystalline anisotropy, and Dzyaloshinskii-Moriya vectors. PMID:26030259

  17. Critical Josephson current in the dynamical Coulomb blockade regime

    NASA Astrophysics Data System (ADS)

    Jäck, Berthold; Eltschka, Matthias; Assig, Maximilian; Etzkorn, Markus; Ast, Christian R.; Kern, Klaus

    2016-01-01

    The current-voltage characteristics of a voltage-biased Josephson junction in the low conductance regime of an ultra-low temperature scanning tunneling microscope (STM) is dominated by sequential charge tunneling. Using P (E ) theory we show that the Josephson coupling energy, experimentally determined in this regime, is in good agreement with the critical current I0 calculated from the Ambegaokar-Baratoff formula. In this way, we can determine the critical current values of a Josephson junction in an STM. Furthermore, we experimentally determine a range of validity for P (E ) theory, which is in accordance with theoretical predictions. In this way, we establish an optimal parameter range, in which Josephson STM can be performed.

  18. Dynamics of Critical Dedicated Cores for Minor Actinide Transmutation

    SciTech Connect

    Massara, S.; Tommasi, J.; Vanier, M.; Koeberl, O.

    2005-02-15

    Fast spectrum minor actinide (MA) burner designs, with high minor actinide loads and consumptions, have been assessed. As reactivity and kinetic coefficients are poor in such cores (low delayed neutron fraction and Doppler feedback, high coolant void coefficient), special attention has been paid to their dynamic behavior during transient conditions. A dynamics code, MAT4 DYN, has been expressly developed to study loss-of-flow, reactivity insertion, and loss-of-coolant accidents. It takes into account two fuel geometries (cylindrical and spherical) and two thermal-hydraulics models for the coolant (incompressible for liquid metals and compressible for helium).Three nitride-fuel configurations are analyzed according to their coolant: sodium and lead (both with pin fuel) and helium (with particle fuel). Dynamics calculations show that if the fuel nature is appropriately chosen, with sufficient margins during transients, then this can counterbalance the poor reactivity coefficients for liquid-metal-cooled cores, thus proving the interest of this kind of concept. On the other hand, the gas-cooled core dynamics is very badly affected by the high value of the helium void coefficient in a hard spectrum, this effect being amplified by the very low thermal inertia of the fuel particles. Hence, concepts other than a particle-bed fuel should be investigated for a helium-cooled fast-spectrum MA burner.

  19. Nanoparticle-Based Antimicrobials: Surface Functionality is Critical

    PubMed Central

    Gupta, Akash; Landis, Ryan F.; Rotello, Vincent M.

    2016-01-01

    Bacterial infections cause 300 million cases of severe illness each year worldwide. Rapidly accelerating drug resistance further exacerbates this threat to human health. While dispersed (planktonic) bacteria represent a therapeutic challenge, bacterial biofilms present major hurdles for both diagnosis and treatment. Nanoparticles have emerged recently as tools for fighting drug-resistant planktonic bacteria and biofilms. In this review, we present the use of nanoparticles as active antimicrobial agents and drug delivery vehicles for antibacterial therapeutics. We further focus on how surface functionality of nanomaterials can be used to target both planktonic bacteria and biofilms. PMID:27006760

  20. Critical appraisal of the fewest switches algorithm for surface hopping.

    PubMed

    Granucci, Giovanni; Persico, Maurizio

    2007-04-01

    In this paper the authors address the problem of internal consistency in trajectory surface hopping methods, i.e., the requirement that the fraction of trajectories running on each electronic state equals the probabilities computed by the electronic time-dependent Schrodinger equation, after averaging over all trajectories. They derive a formula for the hopping probability in Tully's "fewest switches" spirit that would yield a rigorously consistent treatment. They show the relationship of Tully's widely used surface hopping algorithm with the "exact" prescription that cannot be applied when running each trajectory independently. They also bring out the connection of the consistency problem with the coherent propagation of the electronic wave function and the artifacts caused by coherent Rabi-type oscillations of the state probabilities in weak coupling regimes. A real molecule (azobenzene) and two ad hoc models serve as examples to illustrate the above theoretical arguments. Following a proposal by Truhlar's group [Zhu et al., J. Chem. Phys. 121, 7658 (2004) Zhu et al., J. Chem. Theory Comput. 1, 527 (2005)], they apply a decoherence correction to the state probabilities, in conjunction with Tully's algorithm, and they obtain satisfactory results in terms of internal consistency and of agreement with the outcomes of quantum wave packet calculations. PMID:17430023

  1. Surface Characterization of Nanoparticles: Critical Needs and Significant Challenges.

    SciTech Connect

    Baer, Donald R.

    2011-03-01

    There is a growing recognition that nanoparticles and other nanostructured materials are sometimes inadequately characterized and that this may limit or even invalidate some of the conclusions regarding particle properties and behavior. A number of international organizations are working to establish the essential measurement requirements that enable adequate understanding of nanoparticle properties for both technological applications and for environmental health issues. Our research on the interaction of iron metal-core oxide-shell nanoparticles with environmental contaminants and studies of the behaviors of ceria nanoparticles, with a variety of medical, catalysis and energy applications, have highlighted a number of common nanoparticle characterization challenges that have not been fully recognized by parts of the research community. This short review outlines some of these characterization challenges based on our research observations and using other results reported in the literature. Issues highlighted include: 1) the importance of surfaces and surface characterization, 2) nanoparticles are often not created equal - subtle differences in synthesis and processing can have large impacts; 3) nanoparticles frequently change with time having lifetime implications for products and complicating understanding of health and safety impacts; 4) the high sensitivity of nanoparticles to their environment complicates characterization and applications in many ways; 5) nanoparticles are highly unstable and easily altered (damaged) during analysis.

  2. Dynamics of nanoscale ripple relaxation on alloy surfaces.

    PubMed

    Ramasubramaniam, Ashwin; Shenoy, Vivek B

    2008-02-01

    As an alloy surface evolves under capillary forces, differing mobilities of the individual components can lead to kinetic alloy decomposition at the surface. In this paper, we address the relaxation of nanoscale sinusoidal ripples on alloy surfaces by considering the effects of both surface and bulk diffusion. In the absence of bulk diffusion, we derive exact analytical expressions for relaxation rates and identify two natural time scales that govern the relaxation dynamics. Bulk diffusion is shown to reduce kinetic surface segregation and enhance relaxation rates, owing to intermixing near the surface. Our results provide a quantitative framework for the interpretation of relaxation experiments on alloy surfaces. PMID:18352033

  3. Temperature dependent droplet impact dynamics on flat and textured surfaces

    SciTech Connect

    Azar Alizadeh; Vaibhav Bahadur; Sheng Zhong; Wen Shang; Ri Li; James Ruud; Masako Yamada; Liehi Ge; Ali Dhinojwala; Manohar S Sohal

    2012-03-01

    Droplet impact dynamics determines the performance of surfaces used in many applications such as anti-icing, condensation, boiling and heat transfer. We study impact dynamics of water droplets on surfaces with chemistry/texture ranging from hydrophilic to superhydrophobic and across a temperature range spanning below freezing to near boiling conditions. Droplet retraction shows very strong temperature dependence especially for hydrophilic surfaces; it is seen that lower substrate temperatures lead to lesser retraction. Physics-based analyses show that the increased viscosity associated with lower temperatures can explain the decreased retraction. The present findings serve to guide further studies of dynamic fluid-structure interaction at various temperatures.

  4. Real time chemical dynamics at surfaces

    NASA Astrophysics Data System (ADS)

    Bonn, M.; Kleyn, A. W.; Kroes, G. J.

    2002-03-01

    It is a major goal in surface science to make movies of molecules on surfaces, in which the reaction of the molecules on the surface can be followed on a femtosecond time scale, with sub-nanometer resolution. By moving the actors (the molecules) to precisely determined positions on the stage (the surface) at some well-defined moment in time, and subsequently making a space- and time-resolved documentary of what happens next, we would be able to understand the reactive interactions between molecules on surfaces in the greatest possible detail. This would enable us to set the stage and bring together the actors in such a way as to produce the chemical outcomes our society needs, by improving existing catalysts and designing novel catalysts, and by engineering novel reactions on surfaces. Any future director of such movies needs to know which techniques (i.e., which theoretical and experimental methods) hold promise for movie making, what has been done with these techniques, and what can be done with appropriate extensions. The methods we discuss are: (i) the time-dependent wave packet method, which is a theoretical method for simulating molecule-surface reactions with sub-nanometer resolution on a femtosecond time scale, (ii) molecular beam experiments, which allow detailed investigation of the molecule-surface interaction at a molecular level, and (iii) time-resolved laser pump-probe experiments, which allow reactions to be studied with femtosecond resolution. In particular, we discuss (i) theoretical studies of the dissociation reaction of hydrogen on metal surfaces, the reactive system presently understood at the greatest level of detail, (ii) the reactive and non-reactive scattering of heavy diatomics (NO,CO) from metal surfaces, and (iii) the competition between reaction of coadsorbed CO with O and desorption of CO, again on a metal surface. We examine possibilities to extend these methods to make movies at the desired level of detail. We also discuss which

  5. Global observations and modeling of atmosphere-surface exchange of elemental mercury: a critical review

    NASA Astrophysics Data System (ADS)

    Zhu, Wei; Lin, Che-Jen; Wang, Xun; Sommar, Jonas; Fu, Xuewu; Feng, Xinbin

    2016-04-01

    Reliable quantification of air-surface fluxes of elemental Hg vapor (Hg0) is crucial for understanding mercury (Hg) global biogeochemical cycles. There have been extensive measurements and modeling efforts devoted to estimating the exchange fluxes between the atmosphere and various surfaces (e.g., soil, canopies, water, snow, etc.) in the past three decades. However, large uncertainties remain due to the complexity of Hg0 bidirectional exchange, limitations of flux quantification techniques and challenges in model parameterization. In this study, we provide a critical review on the state of science in the atmosphere-surface exchange of Hg0. Specifically, the advancement of flux quantification techniques, mechanisms in driving the air-surface Hg exchange and modeling efforts are presented. Due to the semi-volatile nature of Hg0 and redox transformation of Hg in environmental media, Hg deposition and evasion are influenced by multiple environmental variables including seasonality, vegetative coverage and its life cycle, temperature, light, moisture, atmospheric turbulence and the presence of reactants (e.g., O3, radicals, etc.). However, the effects of these processes on flux have not been fundamentally and quantitatively determined, which limits the accuracy of flux modeling. We compile an up-to-date global observational flux database and discuss the implication of flux data on the global Hg budget. Mean Hg0 fluxes obtained by micrometeorological measurements do not appear to be significantly greater than the fluxes measured by dynamic flux chamber methods over unpolluted surfaces (p = 0.16, one-tailed, Mann-Whitney U test). The spatiotemporal coverage of existing Hg0 flux measurements is highly heterogeneous with large data gaps existing in multiple continents (Africa, South Asia, Middle East, South America and Australia). The magnitude of the evasion flux is strongly enhanced by human activities, particularly at contaminated sites. Hg0 flux observations in East

  6. Fast track surface mine installation on the critical path

    SciTech Connect

    Willison, L.R.

    1986-07-01

    A deep mining area, located in the rugged woodland hills of central West Virginia, was transformed into a beehive of activity as a major new mine and preparation plant was constructed on a very tight deadline. By the time the mine was on line, BethEnergy Mines had spent $40 million to develop the two million tpy (ton per year) surface coal mining complex. In early 1984 not a stick of timber had been cut. But within a very short time (coal-wise) there was a mining area; a 600-tph heavy media cyclone preparation plant, with 36,000 and 24,000 tons of raw and clean coal storage respectively; three miles of haul roads and access roads; a 64,000-ton clean coal stocking facility with a 4000-tph reclaim system that feeds a batch-weighing, floodloading, unit-train loadout facility; a 3.5-mile railroad spur and loop; and all incidental infrastructure. This feat entailed moving more than four million cu-yd of earth, building the preparation plant and loadout facility from ground to operating in six moths, and constructing a railroad spur bridging a major highway.

  7. Hydrophobic Effects in the Critical Destabilization and Release Dynamics of Degradable Multilayer Films

    PubMed Central

    Smith, Renée C.; Leung, Amy; Kim, Byeong-Su; Hammond, Paula T.

    2009-01-01

    Recent research has highlighted the ability of hydrolytically degradable electrostatic layer-by-layer films to act as versatile drug delivery systems capable of multi-agent release. A key element of these films is the potential to gain precise control of release by evoking a surface-erosion mechanism. Here we sought to determine the extent to which manipulation of chemical structure could be used to control release from hydrolytically degradable layer-by-layer films through modification of the degradable polycation. Toward this goal, films composed of poly(β-amino ester)s, varying only in the choice of diacrylate monomer, and the model biological drug, dextran sulfate, were used to ascertain the role of alkyl chain length, steric hindrance, and hydrophobicity on release dynamics. Above a critical polycation hydrophobicity, as determined using octanol:water coefficients, the film becomes rapidly destabilized and quickly released its contents. These findings indicate that in these unique electrostatic assemblies, hydrolytic susceptibility is dependent not only on hydrophobicity, but a complex balance between hydrophobic composition, charge density, and stability of electrostatic ion pairs. Computational determination of octanol:water coefficients allowed for the reliable prediction of release dynamics. The determination of a correlation between octanol:water coefficient and release duration will enables advanced engineering to produce custom drug delivery systems. PMID:20161308

  8. Hydrophobic Effects in the Critical Destabilization and Release Dynamics of Degradable Multilayer Films.

    PubMed

    Smith, Renée C; Leung, Amy; Kim, Byeong-Su; Hammond, Paula T

    2009-03-01

    Recent research has highlighted the ability of hydrolytically degradable electrostatic layer-by-layer films to act as versatile drug delivery systems capable of multi-agent release. A key element of these films is the potential to gain precise control of release by evoking a surface-erosion mechanism. Here we sought to determine the extent to which manipulation of chemical structure could be used to control release from hydrolytically degradable layer-by-layer films through modification of the degradable polycation. Toward this goal, films composed of poly(β-amino ester)s, varying only in the choice of diacrylate monomer, and the model biological drug, dextran sulfate, were used to ascertain the role of alkyl chain length, steric hindrance, and hydrophobicity on release dynamics. Above a critical polycation hydrophobicity, as determined using octanol:water coefficients, the film becomes rapidly destabilized and quickly released its contents. These findings indicate that in these unique electrostatic assemblies, hydrolytic susceptibility is dependent not only on hydrophobicity, but a complex balance between hydrophobic composition, charge density, and stability of electrostatic ion pairs. Computational determination of octanol:water coefficients allowed for the reliable prediction of release dynamics. The determination of a correlation between octanol:water coefficient and release duration will enables advanced engineering to produce custom drug delivery systems. PMID:20161308

  9. Non-Markovian persistence and nonequilibrium critical dynamics

    NASA Astrophysics Data System (ADS)

    Oerding, Klaus; Cornell, Stephen J.; Bray, Alan J.

    1997-07-01

    The persistence exponent θ for the global order parameter M(t) of a system quenched from the disordered phase to its critical point describes the probability, p(t)~t-θ, that M(t) does not change sign in the time interval t following the quench. We calculate θ to O(ɛ2) for model A of Hohenberg and Halperin [Rev. Mod. Phys. 49, 435 (1977)] (and to order ɛ for model C) and show that at this order M(t) is a non-Markov process. Consequently, to our knowledge, θ is a new exponent. The calculation is performed by expanding around a Markov process, using a simplified version of the perturbation theory recently introduced by Majumdar and Sire [Phys. Rev. Lett. 77, 1420 (1996)].

  10. Dynamic sensitivity of photon-dressed atomic ensemble with quantum criticality

    SciTech Connect

    Huang Jinfeng; Kuang Leman; Li Yong; Liao Jieqiao; Sun, C. P.

    2009-12-15

    We study the dynamic sensitivity of an atomic ensemble dressed by a single-mode cavity field (called a photon-dressed atomic ensemble), which is described by the Dicke model near the quantum critical point. It is shown that when an extra atom in a pure initial state passes through the cavity, the photon-dressed atomic ensemble will experience a quantum phase transition showing an explicit sudden change in its dynamics characterized by the Loschmidt echo of this quantum critical system. With such dynamic sensitivity, the Dicke model can resemble the cloud chamber for detecting a flying particle by the enhanced trajectory due to the classical phase transition.

  11. Critical Slowing Down of the Charge Carrier Dynamics at the Mott Metal-Insulator Transition

    NASA Astrophysics Data System (ADS)

    Hartmann, Benedikt; Zielke, David; Polzin, Jana; Sasaki, Takahiko; Müller, Jens

    2015-05-01

    We report on the dramatic slowing down of the charge carrier dynamics in a quasi-two-dimensional organic conductor, which can be reversibly tuned through the Mott metal-insulator transition (MIT). At the finite-temperature critical end point, we observe a divergent increase of the resistance fluctuations accompanied by a drastic shift of spectral weight to low frequencies, demonstrating the critical slowing down of the order parameter (doublon density) fluctuations. The slow dynamics is accompanied by non-Gaussian fluctuations, indicative of correlated charge carrier dynamics. A possible explanation is a glassy freezing of the electronic system as a precursor of the Mott MIT.

  12. Separate effects of surface roughness, wettability, and porosity on the boiling critical heat flux

    NASA Astrophysics Data System (ADS)

    O'Hanley, Harry; Coyle, Carolyn; Buongiorno, Jacopo; McKrell, Tom; Hu, Lin-Wen; Rubner, Michael; Cohen, Robert

    2013-07-01

    The separate effects of surface wettability, porosity, and roughness on the critical heat flux (CHF) of water were examined using engineered surfaces. Values explored were 0, 5, 10, and 15 μm for Rz (roughness), <5°, ˜75°, and >110° for static contact angle (wettability), and 0 and 50% for pore volume fraction. The porous hydrophilic surface enhanced CHF by 50%-60%, while the porous hydrophobic surface resulted in a reduction of CHF by 97%. Wettability had little effect on the smooth non-porous surface CHF. Surface roughness (Ra, Rq, Rz) had no effect on CHF within the limit of this database.

  13. Dynamical Criticality in the Collective Activity of a Population of Retinal Neurons

    NASA Astrophysics Data System (ADS)

    Mora, Thierry; Deny, Stéphane; Marre, Olivier

    2015-02-01

    Recent experimental results based on multielectrode and imaging techniques have reinvigorated the idea that large neural networks operate near a critical point, between order and disorder. However, evidence for criticality has relied on the definition of arbitrary order parameters, or on models that do not address the dynamical nature of network activity. Here we introduce a novel approach to assess criticality that overcomes these limitations, while encompassing and generalizing previous criteria. We find a simple model to describe the global activity of large populations of ganglion cells in the rat retina, and show that their statistics are poised near a critical point. Taking into account the temporal dynamics of the activity greatly enhances the evidence for criticality, revealing it where previous methods would not. The approach is general and could be used in other biological networks.

  14. Dynamics of colloidal aggregation in microgravity by critical Casimir forces

    NASA Astrophysics Data System (ADS)

    Potenza, M. A. C.; Manca, A.; Veen, S. J.; Weber, B.; Mazzoni, S.; Schall, P.; Wegdam, G. H.

    2014-06-01

    By combining static and dynamic structure factor measurements under microgravity conditions, we obtain for the first time direct insight into the internal structure of colloidal aggregates formed over a wide range of particle attractions under ideal diffusion-limited conditions. By means of near-field scattering we measure the time-dependent density-density correlation function as the aggregation process evolves, and we determine the ratio of the hydrodynamic and gyration radius to elucidate the aggregate's internal structure as a function of its fractal dimension. Surprisingly, we find that despite the large variation of particle interactions, the mass is always evenly distributed in all objects with fractal dimension ranging from 2.55 for shallow potentials to 1.78 for deep ones.

  15. Principal velocity surfaces in stellar dynamics

    NASA Astrophysics Data System (ADS)

    Lynden-Bell, D.

    2016-05-01

    Recent work by An and Evans has revived interest in the coordinate surfaces that lie along the principal axes of the stress tensor. Here we complete our list of non-axially symmetric systems with local integrals and prove that those principal velocity surfaces exist for all systems with three local integrals. We then demonstrate how systems in non-separable potentials evade the Eddington-An theorem by having distribution functions that lack perfect reflection symmetry in a meridional velocity component, and discuss other consequences of this remarkable theorem.

  16. The dynamic critical properties of the spin-2 Ising model on a bilayer square lattice

    NASA Astrophysics Data System (ADS)

    Temizer, Ümüt; Yarar, Semih; Tülek, Mesimi

    2016-05-01

    The spin-2 Ising model is investigated for the ferromagnetic/ferromagnetic (FM/FM), antiferromagnetic/ferromagnetic (AFM/FM) and antiferromagnetic/antiferromagnetic (AFM/AFM) interactions on the two-layer square lattice by using the Glauber-type stochastic dynamics. The system is in contact with a heat bath at temperature T, and the exchange of energy with the heat bath occurs via one-spin flip. By employing the Master equation and Glauber transition rates, the dynamic equations of the system are obtained. These equations are solved by using the numerical methods. First, we investigate the average order parameters as a function of the time to find the phases in the system. Then, the temperature-dependence of the dynamic order parameters is examined to obtain the dynamic phase transition temperatures. The dynamic phase diagrams are presented on the different planes. According to the values of the system parameters, a variety of dynamic critical points such as tricritical point, triple point, quadruple point, critical end point, double critical end point, zero-temperature critical point, multicritical point and tetracritical point are obtained. The reentrant behavior is seen in the system for the AFM/AFM interaction. Finally, we also investigate the influence of the oscillating field frequency on the dynamic phase diagrams in detail.

  17. Dynamic behavior of interfacila water at the silica surface

    SciTech Connect

    Argyris, Dr. Dimitrios; Cole, David R; Striolo, Alberto

    2009-01-01

    Molecular dynamics simulations were employed to study the dynamics properties of water at the silica-liquid interface at ambient temperature. Three different degrees of hydroxylation of a crystalline silica surface were used. To assess the water dynamic properties we calculated the residence probability and in-plane mean square displacement as a function of distance from the surface. The data indicate that water molecules at the fully hydroxylated surface remain longer, on average, in the interfacial region than in the other cases. By assessing the dynamics of molecular dipole moment and hydrogen-hydrogen vector an anisotropic reorientation was discovered for interfacial water in contact with any of the surfaces considered. However, the features of the anisotropic reorientation observed for water molecules depend strongly on the relative orientation of interfacial water molecules and their interactions with surface hydroxyl groups. On the partially hydroxylated surface, where water molecules with hydrogen-down and hydrogen-up orientation are both found, those water molecules associated with surface hydroxyl groups remain at the adsorbed locations longer and reorient slower than the other water molecules. A number of equilibrium properties, including density profiles, hydrogen bond networks, charge densities, and dipole moment densities are also reported to explain the dynamics results.

  18. Assessment of dynamic surface leaching of monolithic surface road materials.

    PubMed

    Paulus, Hélène; Schick, Joachim; Poirier, Jean-Eric

    2016-07-01

    Construction materials have to satisfy, among others, health and environment requirements. To check the environmental compatibility of road construction materials, release of hazardous substances into water must be assessed. Literature mostly describes the leaching behaviour of recycled aggregates for potential use in base or sub-base layers of roads. But little is known about the release of soluble substances by materials mixed with binders and compacted for intended use on road surface. In the present study, we thus performed a diffusion test with sequential renewal of water during a 64 day period according to CEN/TS 16637-2 specifications, on asphalt concretes and hydraulically bound monoliths, two common surface road materials. It is shown that release of dangerous substances is limited in these hydrodynamic conditions. It was particularly true for asphalt concrete leachates where no metallic trace element, sulphate, chloride or fluoride ion could be quantified. This is because of the low hydraulic conductivity and the low polarity of the petroleum hydrocarbon binder of these specimens. For hydraulically bound materials around 20,000 mg/m(2) of sulphate diffused from the monoliths. It is one order of magnitude higher than chloride diffusion and two orders of magnitude higher than fluoride release. No metallic trace element, except small quantities of copper in the last eluate could be quantified. No adverse effect is to be expected for human and environmental health from the leachates of these compacted surface road construction materials, because all the measured parameters were below EU (Council Directive 98/83/EC) or WHO guidelines for drinking water standards. PMID:27039367

  19. Using surface deformation to image reservoir dynamics

    SciTech Connect

    Vasco, D.W.; Karasaki, K.; Doughty, C.

    2000-02-01

    The inversion of surface deformation data such as tilt, displacement, or strain provides a noninvasive method for monitoring subsurface volume change. Reservoir volume change is related directly to processes such as pressure variations induced by injection and withdrawal. The inversion procedure is illustrated by an application to tiltmeter data from the Hijiori test site in Japan. An inversion of surface tilt data allows one to image flow processes in a fractured granodiorite. Approximately 650 barrels of water, injected 2 km below the surface, produces a peak surface tilt of the order of 0.8 microradians. The authors find that the pattern of volume change in the granodiorite is very asymmetrical, elongated in a north-northwesterly direction, and the maximum volume change is offset by more than 0.7 km to the east of the pumping well. The inversion of a suite of leveling data from the Wilmington oil field in Long Beach, California, images large-scale reservoir volume changes in 12 one- to two-year increments from 1976 to 1996. The influence of various production strategies is seen in the reservoir volume changes. In particular, a steam flood in fault block 2 in the northwest portion of the field produced a sudden decrease in reservoir volume.

  20. Invariant algebraic surfaces for a virus dynamics

    NASA Astrophysics Data System (ADS)

    Valls, Claudia

    2015-08-01

    In this paper, we provide a complete classification of the invariant algebraic surfaces and of the rational first integrals for a well-known virus system. In the proofs, we use the weight-homogeneous polynomials and the method of characteristic curves for solving linear partial differential equations.

  1. Bubble Dynamics on a Heated Surface

    NASA Technical Reports Server (NTRS)

    Kassemi, Mohammad; Rashidnia, Nasser

    1996-01-01

    In this work, we study the combined thermocapillary and natural convective flow 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. On earth, the volumetric forces are dominant, especially, in apparatuses with large volume to surface ratio. But in the reduced gravity environment of orbiting spacecraft, surface forces become more important and the effects of Marangoni convection are easily unmasked. In order to delineate the roles of the various interacting phenomena, a combined numerical-experimental approach is adopted. The temperature field is visualized using Mach-Zehnder interferometry and the flow field is observed by a laser sheet flow visualization technique. A finite element numerical model is developed which solves the two-dimensional momentum and energy equations and includes the effects of bubble surface deformation. Steady state temperature and velocity fields predicted by the finite element model are in excellent qualitative agreement with the experimental results. A parametric study of the interaction between Marangoni and natural convective flows including conditions pertinent to microgravity space experiments is presented. Numerical simulations clearly indicate that there is a considerable difference between 1-g and low-g temperature and flow fields induced by the bubble.

  2. Quantum-Critical Dynamics of the Skyrmion Lattice.

    NASA Astrophysics Data System (ADS)

    Green, Andrew G.

    2002-03-01

    Slightly away from exact filling of the lowest Landau level, the quantum Hall ferromagnet contains a finite density of magnetic vortices or Skyrmions[1,2]. These Skyrmions are expected to form a square lattice[3], the low energy excitations of which (translation/phonon modes and rotation/breathing modes) lead to dramatically enhanced nuclear relaxation[4,5]. Upon changing the filling fraction, the rotational modes undergo a quantum phase transition where zero-point fluctuations destroy the orientational order of the Skyrmions[4,6]. I will discuss the effect of this quantum critical point upon nuclear spin relaxation[7]. [1]S. L. Sondhi et al., Phys. Rev. B47, 16419 (1993). [2]S. E. Barrett et al., Phys. Rev. Lett. 74, 5112 (1995), A. Schmeller et al., Phys. Rev. Lett. 75, 4290 (1995). [3]L. Brey et al, Phys. Rev. Lett. 75, 2562 (1995). [4]R. Côté et al., Phys. Rev. Lett. 78, 4825 (1997). [5]R. Tycko et al., Science 268, 1460 (1995). [6]Yu V. Nazarov and A. V. Khaetskii, Phys. Rev. Lett. 80, 576 (1998). [7]A. G. Green, Phys. Rev. B61, R16 299 (2000).

  3. Self-organized criticality in sandpiles - Nature of the critical phenomenon. [dynamic models in phase transition

    NASA Technical Reports Server (NTRS)

    Carlson, J. M.; Chayes, J. T.; Swindle, G. H.; Grannan, E. R.

    1990-01-01

    The scaling behavior of sandpile models is investigated analytically. First, it is shown that sandpile models contain a set of domain walls, referred to as troughs, which bound regions that can experience avalanches. It is further shown that the dynamics of the troughs is governed by a simple set of rules involving birth, death, and coalescence events. A simple trough model is then introduced, and it is proved that the model has a phase transition with the density of the troughs as an order parameter and that, in the thermodynamic limit, the trough density goes to zero at the transition point. Finally, it is shown that the observed scaling behavior is a consequence of finite-size effects.

  4. Improved Criteria for Acceptable Yield Point Elongation in Surface Critical Steels

    SciTech Connect

    Dr. David Matlock; Dr. John Speer

    2007-05-30

    Yield point elongation (YPE) is considered undesirable in surface critical applications where steel is formed since "strain lines" or Luders bands are created during forming. This project will examine in detail the formation of luders bands in industrially relevant strain states including the influence of substrate properties and coatings on Luders appearance. Mechanical testing and surface profilometry were the primary methods of investigation.

  5. 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

  6. Using what you get: dynamic physiologic signatures of critical illness

    PubMed Central

    Holder, Andre L.; Clermont, Gilles

    2015-01-01

    A physiologic signature can be defined as a consistent and robust collection of physiologic measurements characterizing a disease process and its temporal evolution. If a library of physiologic signatures of impending cardiopulmonary instability were available to clinicians caring for inpatients, many episodes of clinical decompensation and their downstream effects could potentially be averted. The development and resolution of cardiopulmonary instability are processes that take time to become clinically apparent, and the treatments provided take time to have an impact. The characterization of dynamic changes in hemodynamic and metabolic variables is implicit in the concept of physiologic signatures. Changes in vital signs such as blood pressure and heart rate, as well as measures of flow such as cardiac output are some of the standard variables used by clinicians to determine cardiopulmonary instability. When these primary variables are collected with high enough frequency to derive new variables, this data hierarchy can be used to development physiologic signatures. The construction of new variables from primary variables, and therefore the creation of physiologic signatures requires no new information; additional knowledge is extracted from data that already exists. It is possible to create physiologic signatures for each stage in the process of clinical decompensation and recovery to improve patient outcomes. PMID:25435482

  7. Activity of nodes reshapes the critical threshold of spreading dynamics in complex networks

    NASA Astrophysics Data System (ADS)

    Liu, Chen; Zhou, Li-xin; Fan, Chong-jun; Huo, Liang-an; Tian, Zhan-wei

    2015-08-01

    In this paper, we investigate spreading dynamics on complex networks with active nodes based on SIR (Susceptible-Infected-Removed) model. Different from previous studies, each node of the network rotates between active state and inactive state according to certain probabilities. An active susceptible node can be infected by all its infected neighbors, while an inactive susceptible node can only be infected by its active infected neighbors. By means of ​mean-field approach and numerical simulations, we explore the critical phenomenon by the combined effects of activity rate and infection rate on spreading dynamics. We show that the critical threshold of infection rate is increased by node activity, and node activity also shows a critical phenomenon given certain infection rate. On the whole, there exists a critical curve consists of pairs of critical activity rate and infection rate. We also analyze theoretically the impact of activity rate and infection rate on the final size of spreading dynamics, which is verified by numerical simulations. This work complements our understanding of spreading dynamics with active nodes and may be used to develop more feasible and more economical methods to control spreading dynamics.

  8. Investigation of the static and dynamic fragmentation of metallic liquid sheets induced by random surface fluctuations

    NASA Astrophysics Data System (ADS)

    Durand, O.; Soulard, L.; Bourasseau, E.; Filippini, G.

    2016-07-01

    We perform molecular dynamics simulations to investigate the static and dynamic fragmentation of metallic liquid sheets of tin induced by random surface fluctuations. The static regime is analyzed by simulating sheets of different thicknesses, and the dynamic fragmentation is ensured by applying along the longitudinal direction of a sheet an instantaneous expansion velocity per initial unit length (expansion rate) with values ranging from 1 × 109 to 3 × 1010 s-1. The simulations show that the static/dynamic fragmentation becomes possible when the fluctuations of the upper and lower surfaces of the sheets can either overlap or make the local volume density of the system go down below a critical value. These two mechanisms cause locally in the sheet the random nucleation of pores of void, on a timescale that exponentially increases with the sheet thickness. Afterwards, the pores develop following distinct stages of growth, coalescence, and percolation, and later in time aggregates of liquid metal are formed. The simulations also show that the fragmentation of static sheets is characterized by relatively mono-dispersed surface and volume distributions of the pores and aggregates, respectively, whereas in extreme conditions of dynamic fragmentation (expansion rate typically in the range of 1 × 1010 s-1), the distributions are rather poly-dispersed and obey a power law decay with surface (volume). A model derived from the simulations suggests that both dynamic and static regimes of fragmentation are similar for expansion rates below typically 1 × 107 s-1.

  9. Molecular Dynamics Simulations of Uranyl and Uranyl Carbonate Adsorption at Alumino-silicate Surfaces

    SciTech Connect

    Kerisit, Sebastien N.; Liu, Chongxuan

    2014-03-03

    Adsorption at mineral surfaces is a critical factor controlling the mobility of uranium(VI) in aqueous environments. Therefore, molecular dynamics (MD) simulations were performed to investigate uranyl(VI) adsorption onto two neutral alumino-silicate surfaces, namely the orthoclase (001) surface and the octahedral aluminum sheet of the kaolinite (001) surface. Although uranyl preferentially adsorbed as a bi-dentate innersphere complex on both surfaces, the free energy of adsorption at the orthoclase surface (-15 kcal mol-1) was significantly more favorable than that at the kaolinite surface (-3 kcal mol-1), which was attributed to differences in surface functional groups and to the ability of the orthoclase surface to dissolve a surface potassium ion upon uranyl adsorption. The structures of the adsorbed complexes compared favorably with X-ray absorption spectroscopy results. Simulations of the adsorption of uranyl complexes with up to three carbonate ligands revealed that uranyl complexes coordinated to up to 2 carbonate ions are stable on the orthoclase surface whereas uranyl carbonate surface complexes are unfavored at the kaolinite surface. Combining the MD-derived equilibrium adsorption constants for orthoclase with aqueous equilibrium constants for uranyl carbonate species indicates the presence of adsorbed uranium complexes with one or two carbonates in alkaline conditions, in support of current uranium(VI) surface complexation models.

  10. The Surface Wave Dynamics Experiment (SWADE)

    NASA Technical Reports Server (NTRS)

    Long, S. R.; Oberholtzer, J. D.; Wright, C. W.; Shirk, H. G.

    1988-01-01

    SWADE was developed to study the dynamics of the wave field development in the open ocean with the following specific objectives: (1) to understand the development of the wave directional spectrum under various conditions; (2) to determine the effect of waves on the air/sea transfers of momentum, heat, and mass; (3) to determine breaking distributions as a function of sea state, wind, and boundary stability; and (4) to provide data and analyses for ERS-1 validation. The experiment is designed for the winter of 1990 to 1991. Four buoys will be deployed for 6 months starting October 1990 and ending March 1991. During that time period, three intensive periods of 2 weeks duration each will be selected for frequent aircraft flights for wave data collection to satisfy scientific studies, as well as ERS-1 validation needs.

  11. Applications of granular-dynamics numerical simulations to asteroid surfaces

    NASA Astrophysics Data System (ADS)

    Richardson, D. C.; Michel, P.; Schwartz, S. R.; Yu, Y.; Ballouz, R.-L.; Matsumura, S.

    2014-07-01

    Spacecraft images and indirect observations including thermal inertia measurements indicate most small bodies have surface regolith. Evidence of granular flow is also apparent in the images. This material motion occurs in very low gravity, therefore in a totally different gravitational environment than on the Earth. Upcoming sample-return missions to small bodies, and possible future manned missions, will involve interaction with the surface regolith, so it is important to develop tools to predict the surface response. We have added new capabilities to the N-body gravity tree code pkdgrav [1,2] that permit the simulation of granular dynamics, including multi-contact physics and friction forces, using the soft-sphere discrete-element method [3]. The numerical approach has been validated through comparison with laboratory experiments (e.g., [3,4]). (1) We carried out impacts into granular materials using different projectile shapes under Earth's gravity [5] and compared the results to laboratory experiments [6] in support of JAXA's Hayabusa 2 asteroid sample-return mission. We tested different projectile shapes and confirmed that the 90-degree cone was the most efficient at excavating mass when impacting 5-mm-diameter glass beads. Results are sensitive to the normal coefficient of restitution and the coefficient of static friction. Preliminary experiments in micro-gravity for similar impact conditions show both the amount of ejected mass and the timescale of the impact process increase, as expected. (2) It has been found (e.g., [7,8]) that ''fresh'' (unreddened) Q-class asteroids have a high probability of recent planetary encounters (˜1 Myr; also see [9]), suggesting that surface refreshening may have occurred due to tidal effects. As an application of the potential effect of tidal interactions, we carried out simulations of Apophis' predicted 2029 encounter with the Earth to see whether regolith motion might occur, using a range of plausible material parameters

  12. Dynamics of Spreading on Micro-Textured Surfaces

    NASA Astrophysics Data System (ADS)

    Mohammad Karim, Alireza; Rothstein, Jonathan; Kavehpour, Pirouz

    2015-11-01

    Ultrahydrophobic surfaces, due to their large water-repellency characteristic, have a vast variety of applications in technology and nature, such as de-icing of airplane wings, efficiency increase of power plants, and efficiency of pesticides on plants, etc. The significance of ultrahydrophobic surfaces requires enhancing the knowledge on the spreading dynamics on such surfaces. The best way to produce an ultrahydrophobic surface is by patterning of smooth hydrophobic surfaces with micron sized posts. In this research, the micro-textured surfaces have been fabricated by patterning several different sizes of micro-textured posts on Teflon plates. The experimental study has been performed using forced spreading with Tensiometer to obtain the dependencw of dynamic contact angle to the contact line velocity to describe the spreading dynamics of Newtonian liquids on the micro-textured surfaces. The effect of the geometrical descriptions of the micro-posts along with the physical properties of liquids on the spreading dynamics on micro-textured Teflon plates have been also studied.

  13. Surface identification, meshing and analysis during large molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Dupuy, Laurent M.; Rudd, Robert E.

    2006-03-01

    Techniques are presented for the identification and analysis of surfaces and interfaces in atomistic simulations of solids. Atomistic and other particle-based simulations have no inherent notion of a surface, only atomic positions and interactions. The algorithms we develop here provide an unambiguous means to determine which atoms constitute the surface, and the list of surface atoms and a tessellation (meshing) of the surface are determined simultaneously. The tessellation is then used to calculate various surface integrals such as volume, area and shape (multiple moment). The principle of surface identification and tessellation is closely related to that used in the generation of the r-reduced surface, a step in the visualization of molecular surfaces used in biology. The algorithms have been implemented and demonstrated to run automatically (on the fly) in a large-scale parallel molecular dynamics (MD) code on a supercomputer. We demonstrate the validity of the method in three applications in which the surfaces and interfaces evolve: void surfaces in ductile fracture, the surface morphology due to significant plastic deformation of a nanoscale metal plate, and the interfaces (grain boundaries) and void surfaces in a nanoscale polycrystalline system undergoing ductile failure. The technique is found to be quite robust, even when the topology of the surfaces changes as in the case of void coalescence where two surfaces merge into one. It is found to add negligible computational overhead to an MD code.

  14. Critical short-time dynamics in a system with interacting static and diffusive populations.

    PubMed

    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. PMID:22400516

  15. Self-Organized Criticality in Small-World Networks Based on the Social Balance Dynamics

    NASA Astrophysics Data System (ADS)

    Meng, Qing-Kuan

    2011-11-01

    A node model is proposed to study the self-organized criticality in the small-world networks which represent the social networks. Based on the node model and the social balance dynamics, the social networks are mapped to the thermodynamic systems and the phenomena are studied with physical methods. It is found that the avalanche in the small-world networks at the critical state satisfies the power-law distribution spatially and temporally.

  16. Probing Critical Surfaces in Momentum Space Using Real-Space Entanglement Entropy: Bose versus Fermi

    NASA Astrophysics Data System (ADS)

    Yang, Kun; Lai, Hsin-Hua

    A co-dimension one critical surface in the momentum space can be either a familiar Fermi surface, which separates occupied states from empty ones in the non-interacting fermion case, or a novel Bose surface, where gapless bosonic excitations are anchored. Their presence gives rise to logarithmic violation of entanglement entropy area law. When they are convex, we show that the shape of these critical surfaces can be determined by inspecting the leading logarithmic term of real space entanglement entropy. The fundamental difference between a Fermi surface and a Bose surface is revealed by the fact that the logarithmic terms in entanglement entropies differ by a factor of two: SlogBose = 2SlogFermi , even when they have identical geometry. Our method has remarkable similarity with determining Fermi surface shape using quantum oscillation. We also discuss possible probes of concave critical surfaces in momentum space. HHL and KY acknowledge the National Science Foundation through Grants No. DMR-1004545, DMR-1157490, No. DMR-1442366, and State of Florida. HHL is also partially supported by NSF Grant No. DMR-1309531, and the Smalley Postdoctoral Fellowship in Quantum Ma.

  17. Land Surface Microwave Emissivity Dynamics: Observations, Analysis and Modeling

    NASA Technical Reports Server (NTRS)

    Tian, Yudong; Peters-Lidard, Christa D.; Harrison, Kenneth W.; Kumar, Sujay; Ringerud, Sarah

    2014-01-01

    Land surface microwave emissivity affects remote sensing of both the atmosphere and the land surface. The dynamical behavior of microwave emissivity over a very diverse sample of land surface types is studied. With seven years of satellite measurements from AMSR-E, we identified various dynamical regimes of the land surface emission. In addition, we used two radiative transfer models (RTMs), the Community Radiative Transfer Model (CRTM) and the Community Microwave Emission Modeling Platform (CMEM), to simulate land surface emissivity dynamics. With both CRTM and CMEM coupled to NASA's Land Information System, global-scale land surface microwave emissivities were simulated for five years, and evaluated against AMSR-E observations. It is found that both models have successes and failures over various types of land surfaces. Among them, the desert shows the most consistent underestimates (by approx. 70-80%), due to limitations of the physical models used, and requires a revision in both systems. Other snow-free surface types exhibit various degrees of success and it is expected that parameter tuning can improve their performances.

  18. Exotic quantum critical point on the surface of three-dimensional topological insulator

    NASA Astrophysics Data System (ADS)

    Bi, Zhen; You, Yi-Zhuang; Xu, Cenke

    2016-07-01

    In the last few years a lot of exotic and anomalous topological phases were constructed by proliferating the vortexlike topological defects on the surface of the 3 d topological insulator (TI) [Fidkowski et al., Phys. Rev. X 3, 041016 (2013), 10.1103/PhysRevX.3.041016; Chen et al., Phys. Rev. B 89, 165132 (2014), 10.1103/PhysRevB.89.165132; Bonderson et al., J. Stat. Mech. (2013) P09016, 10.1088/1742-5468/2013/09/P09016; Wang et al., Phys. Rev. B 88, 115137 (2013), 10.1103/PhysRevB.88.115137; Metlitski et al., Phys. Rev. B 92, 125111 (2015), 10.1103/PhysRevB.92.125111]. In this work, rather than considering topological phases at the boundary, we will study quantum critical points driven by vortexlike topological defects. In general, we will discuss a (2 +1 )d quantum phase transition described by the following field theory: L =ψ ¯γμ(∂μ-i aμ) ψ +| (∂μ-i k aμ) ϕ| 2+r|ϕ | 2+g |ϕ| 4 , with tuning parameter r , arbitrary integer k , Dirac fermion ψ , and complex scalar bosonic field ϕ , which both couple to the same (2 +1 )d dynamical noncompact U(1) gauge field aμ. The physical meaning of these quantities/fields will be explained in the text. Making use of the new duality formalism developed in [Metlitski et al., Phys. Rev. B 93, 245151 (2016), 10.1103/PhysRevB.93.245151; Wang et al., Phys. Rev. X 5, 041031 (2015), 10.1103/PhysRevX.5.041031; Wang et al., Phys. Rev. B 93, 085110 (2016), 10.1103/PhysRevB.93.085110; D. T. Son, Phys. Rev. X 5, 031027 (2015), 10.1103/PhysRevX.5.031027], we demonstrate that this quantum critical point has a quasi-self-dual nature. And at this quantum critical point, various universal quantities such as the electrical conductivity and scaling dimension of gauge-invariant operators, can be calculated systematically through a 1 /k2 expansion, based on the observation that the limit k →+∞ corresponds to an ordinary 3 d X Y transition.

  19. Firm Size, a Self-Organized Critical Phenomenon: Evidence from the Dynamical Systems Theory

    NASA Astrophysics Data System (ADS)

    Chandra, Akhilesh

    This research draws upon a recent innovation in the dynamical systems literature called the theory of self -organized criticality (SOC) (Bak, Tang, and Wiesenfeld 1988) to develop a computational model of a firm's size by relating its internal and the external sub-systems. As a holistic paradigm, the theory of SOC implies that a firm as a composite system of many degrees of freedom naturally evolves to a critical state in which a minor event starts a chain reaction that can affect either a part or the system as a whole. Thus, the global features of a firm cannot be understood by analyzing its individual parts separately. The causal framework builds upon a constant capital resource to support a volume of production at the existing level of efficiency. The critical size is defined as the production level at which the average product of a firm's factors of production attains its maximum value. The non -linearity is inferred by a change in the nature of relations at the border of criticality, between size and the two performance variables, viz., the operating efficiency and the financial efficiency. The effect of breaching the critical size is examined on the stock price reactions. Consistent with the theory of SOC, it is hypothesized that the temporal response of a firm breaching the level of critical size should behave as a flicker noise (1/f) process. The flicker noise is characterized by correlations extended over a wide range of time scales, indicating some sort of cooperative effect among a firm's degrees of freedom. It is further hypothesized that a firm's size evolves to a spatial structure with scale-invariant, self-similar (fractal) properties. The system is said to be self-organized inasmuch as it naturally evolves to the state of criticality without any detailed specifications of the initial conditions. In this respect, the critical state is an attractor of the firm's dynamics. Another set of hypotheses examines the relations between the size and the

  20. Mean-field dynamic criticality and geometric transition in the Gaussian core model

    NASA Astrophysics Data System (ADS)

    Coslovich, Daniele; Ikeda, Atsushi; Miyazaki, Kunimasa

    2016-04-01

    We use molecular dynamics simulations to investigate dynamic heterogeneities and the potential energy landscape of the Gaussian core model (GCM). Despite the nearly Gaussian statistics of particles' displacements, the GCM exhibits giant dynamic heterogeneities close to the dynamic transition temperature. The divergence of the four-point susceptibility is quantitatively well described by the inhomogeneous version of the mode-coupling theory. Furthermore, the potential energy landscape of the GCM is characterized by large energy barriers, as expected from the lack of activated, hopping dynamics, and display features compatible with a geometric transition. These observations demonstrate that all major features of mean-field dynamic criticality can be observed in a physically sound, three-dimensional model.

  1. Mean-field dynamic criticality and geometric transition in the Gaussian core model.

    PubMed

    Coslovich, Daniele; Ikeda, Atsushi; Miyazaki, Kunimasa

    2016-04-01

    We use molecular dynamics simulations to investigate dynamic heterogeneities and the potential energy landscape of the Gaussian core model (GCM). Despite the nearly Gaussian statistics of particles' displacements, the GCM exhibits giant dynamic heterogeneities close to the dynamic transition temperature. The divergence of the four-point susceptibility is quantitatively well described by the inhomogeneous version of the mode-coupling theory. Furthermore, the potential energy landscape of the GCM is characterized by large energy barriers, as expected from the lack of activated, hopping dynamics, and display features compatible with a geometric transition. These observations demonstrate that all major features of mean-field dynamic criticality can be observed in a physically sound, three-dimensional model. PMID:27176347

  2. Line contribution to the critical Casimir force between a homogeneous and a chemically stepped surface.

    PubMed

    Toldin, Francesco Parisen; Tröndle, Matthias; Dietrich, S

    2015-06-01

    Recent experimental realizations of the critical Casimir effect have been implemented by monitoring colloidal particles immersed in a binary liquid mixture near demixing and exposed to a chemically structured substrate. In particular, critical Casimir forces have been measured for surfaces consisting of stripes with periodically alternating adsorption preferences, forming chemical steps between them. Motivated by these experiments, we analyze the contribution of such chemical steps to the critical Casimir force for the film geometry and within the Ising universality class. By means of Monte Carlo simulations, mean-field theory and finite-size scaling analysis we determine the universal scaling function associated with the contribution to the critical Casimir force due to individual, isolated chemical steps facing a surface with homogeneous adsorption preference or with Dirichlet boundary condition. In line with previous findings, these results allow one to compute the critical Casimir force for the film geometry and in the presence of arbitrarily shaped, but wide stripes. In this latter limit the force decomposes into a sum of the contributions due to the two homogeneous parts of the surface and due to the chemical steps between the stripes. We assess this decomposition by comparing the resulting sum with actual simulation data for the critical Casimir force in the presence of a chemically striped substrate. PMID:25966039

  3. Line contribution to the critical Casimir force between a homogeneous and a chemically stepped surface

    NASA Astrophysics Data System (ADS)

    Parisen Toldin, Francesco; Tröndle, Matthias; Dietrich, S.

    2015-06-01

    Recent experimental realizations of the critical Casimir effect have been implemented by monitoring colloidal particles immersed in a binary liquid mixture near demixing and exposed to a chemically structured substrate. In particular, critical Casimir forces have been measured for surfaces consisting of stripes with periodically alternating adsorption preferences, forming chemical steps between them. Motivated by these experiments, we analyze the contribution of such chemical steps to the critical Casimir force for the film geometry and within the Ising universality class. By means of Monte Carlo simulations, mean-field theory and finite-size scaling analysis we determine the universal scaling function associated with the contribution to the critical Casimir force due to individual, isolated chemical steps facing a surface with homogeneous adsorption preference or with Dirichlet boundary condition. In line with previous findings, these results allow one to compute the critical Casimir force for the film geometry and in the presence of arbitrarily shaped, but wide stripes. In this latter limit the force decomposes into a sum of the contributions due to the two homogeneous parts of the surface and due to the chemical steps between the stripes. We assess this decomposition by comparing the resulting sum with actual simulation data for the critical Casimir force in the presence of a chemically striped substrate.

  4. Molecular dynamics simulation of a binary mixture near the lower critical point

    NASA Astrophysics Data System (ADS)

    Pousaneh, Faezeh; Edholm, Olle; Maciołek, Anna

    2016-07-01

    2,6-lutidine molecules mix with water at high and low temperatures but in a wide intermediate temperature range a 2,6-lutidine/water mixture exhibits a miscibility gap. We constructed and validated an atomistic model for 2,6-lutidine and performed molecular dynamics simulations of 2,6-lutidine/water mixture at different temperatures. We determined the part of demixing curve with the lower critical point. The lower critical point extracted from our data is located close to the experimental one. The estimates for critical exponents obtained from our simulations are in a good agreement with the values corresponding to the 3D Ising universality class.

  5. Molecular dynamics simulation of annealed ZnO surfaces

    SciTech Connect

    Min, Tjun Kit; Yoon, Tiem Leong; Lim, Thong Leng

    2015-04-24

    The effect of thermally annealing a slab of wurtzite ZnO, terminated by two surfaces, (0001) (which is oxygen-terminated) and (0001{sup ¯}) (which is Zn-terminated), is investigated via molecular dynamics simulation by using reactive force field (ReaxFF). We found that upon heating beyond a threshold temperature of ∼700 K, surface oxygen atoms begin to sublimate from the (0001) surface. The ratio of oxygen leaving the surface at a given temperature increases as the heating temperature increases. A range of phenomena occurring at the atomic level on the (0001) surface has also been explored, such as formation of oxygen dimers on the surface and evolution of partial charge distribution in the slab during the annealing process. It was found that the partial charge distribution as a function of the depth from the surface undergoes a qualitative change when the annealing temperature is above the threshold temperature.

  6. Non-linear quantum critical dynamics and fluctuation-dissipation ratios far from equilibrium

    NASA Astrophysics Data System (ADS)

    Zamani, Farzaneh; Ribeiro, Pedro; Kirchner, Stefan

    2016-02-01

    Non-thermal correlations of strongly correlated electron systems and the far-from-equilibrium properties of phases of condensed matter have become a topical research area. Here, an overview of the non-linear dynamics found near continuous zero-temperature phase transitions within the context of effective temperatures is presented. In particular, we focus on models of critical Kondo destruction. Such a quantum critical state, where Kondo screening is destroyed in a critical fashion, is realized in a number of rare earth intermetallics. This raises the possibility of experimentally testing for the existence of fluctuation-dissipation relations far from equilibrium in terms of effective temperatures. Finally, we present an analysis of a non-interacting, critical reference system, the pseudogap resonant level model, in terms of effective temperatures and contrast these results with those obtained near interacting quantum critical points.

  7. Molecular dynamics studies of interfacial water at the alumina surface.

    SciTech Connect

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

    2011-01-01

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

  8. Ultrafast exciton dynamics at molecular surfaces

    NASA Astrophysics Data System (ADS)

    Monahan, Nicholas R.

    Further improvements to device performance are necessary to make solar energy conversion a compelling alternative to fossil fuels. Singlet exciton fission and charge separation are two processes that can heavily influence the power conversion efficiency of a solar cell. During exciton fission one singlet excitation converts into two triplet excitons, potentially doubling the photocurrent generated by higher energy photons. There is significant discord over the singlet fission mechanism and of particular interest is whether the process involves a multiexciton intermediate state. I used time-resolved two-photon photoemission to investigate singlet fission in hexacene thin films, a model system with strong electronic coupling. My results indicate that a multiexciton state forms within 40 fs of photoexcitation and loses singlet character on a 280 fs timescale, creating two triplet excitons. This is concordant with the transient absorption spectra of hexacene single crystals and definitively proves that exciton fission in hexacene proceeds through a multiexciton state. This state is likely common to all strongly-coupled systems and my results suggest that a reassessment of the generally-accepted singlet fission mechanism is required. Charge separation is the process of splitting neutral excitons into carriers that occurs at donor-acceptor heterojunctions in organic solar cells. Although this process is essential for device functionality, there are few compelling explanations for why it is highly efficient in certain organic photovoltaic systems. To investigate the charge separation process, I used the model system of charge transfer excitons at hexacene surfaces and time-resolved two-photon photoemission. Charge transfer excitons with sufficient energy spontaneously delocalize, growing from about 14 nm to over 50 nm within 200 fs. Entropy drives this delocalization, as the density of states within the Coulomb potential increases significantly with energy. This charge

  9. On geometric perturbations of critical Schroedinger operators with a surface interaction

    SciTech Connect

    Exner, Pavel; Fraas, Martin

    2009-11-15

    We study singular Schroedinger operators with an attractive interaction supported by a closed smooth surface A subset of R{sup 3} and analyze their behavior in the vicinity of the critical situation where such an operator has empty discrete spectrum and a threshold resonance. In particular, we show that if A is a sphere and the critical coupling is constant over it, any sufficiently small smooth area-preserving radial deformation gives rise to isolated eigenvalues. On the other hand, the discrete spectrum may be empty for general deformations. We also derive a related inequality for capacities associated with such surfaces.

  10. An artificial bee colony algorithm for locating the critical slip surface in slope stability analysis

    NASA Astrophysics Data System (ADS)

    Kang, Fei; Li, Junjie; Ma, Zhenyue

    2013-02-01

    Determination of the critical slip surface with the minimum factor of safety of a slope is a difficult constrained global optimization problem. In this article, an artificial bee colony algorithm with a multi-slice adjustment method is proposed for locating the critical slip surfaces of soil slopes, and the Spencer method is employed to calculate the factor of safety. Six benchmark examples are presented to illustrate the reliability and efficiency of the proposed technique, and it is also compared with some well-known or recent algorithms for the problem. The results show that the new algorithm is promising in terms of accuracy and efficiency.

  11. Structural and dynamical properties of water on chemically modified surfaces: The role of the instantaneous surface

    NASA Astrophysics Data System (ADS)

    Bekele, Selemon; Tsige, Mesfin

    Surfaces of polymers such as atactic polystyrene (aPS) represent very good model systems for amorphous material surfaces. Such polymer surfaces are usually modified either chemically or physically for a wide range of applications that include friction, lubrication and adhesion. It is thus quite important to understand the structural and dynamical properties of liquids that come in contact with them to achieve the desired functional properties. Using molecular dynamics (MD) simulations, we investigate the structural and dynamical properties of water molecules in a slab of water in contact with atactic polystyrene surfaces of varying polarity. We find that the density of water molecules and the number distribution of hydrogen bonds as a function of distance relative to an instantaneous surface exhibit a structure indicative of a layering of water molecules near the water/PS interface. For the dynamics, we use time correlation functions of hydrogen bonds and the incoherent structure function for the water molecules. Our results indicate that the polarity of the surface dramatically affects the dynamics of the interfacial water molecules with the dynamics slowing down with increasing polarity. This work was supported by NSF Grant DMR1410290.

  12. Ionization dynamics of water dimer on ice surface

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto

    2016-05-01

    The solid surface provides an effective two-dimensional reaction field because the surface increases the encounter probability of bi-molecular collision reactions. Also, the solid surface stabilizes a reaction intermediate because the excess energy generated by the reaction dissipates into the bath modes of surface. The ice surface in the universe is one of the two dimensional reaction fields. However, it is still unknown how the ice surface affects to the reaction mechanism. In the present study, to elucidate the specific property of the ice surface reaction, ionization dynamics of water dimer adsorbed on the ice surface was theoretically investigated by means of direct ab-initio molecular dynamics (AIMD) method combined with ONIOM (our own n-layered integrated molecular orbital and molecular mechanics) technique, and the result was compared with that of gas phase reaction. It was found that a proton is transferred from H2O+ to H2O within the dimer and the intermediate complex H3O+(OH) is formed in both cases. However, the dynamic features were different from each other. The reaction rate of the proton transfer on the ice surface was three times faster than that in the gas phase. The intermediate complex H3O+(OH) was easily dissociated to H3O+ and OH radical on the ice surface, and the lifetime of the complex was significantly shorter than that of gas phase (100 fs vs. infinite). The reason why the ice surface accelerates the reaction was discussed in the present study.

  13. Surface detection, meshing and analysis during large molecular dynamics simulations

    SciTech Connect

    Dupuy, L M; Rudd, R E

    2005-08-01

    New techniques are presented for the detection and analysis of surfaces and interfaces in atomistic simulations of solids. Atomistic and other particle-based simulations have no inherent notion of a surface, only atomic positions and interactions. The algorithms we introduce here provide an unambiguous means to determine which atoms constitute the surface, and the list of surface atoms and a tessellation (meshing) of the surface are determined simultaneously. The algorithms have been implemented and demonstrated to run automatically (on the fly) in a large-scale parallel molecular dynamics (MD) code on a supercomputer. We demonstrate the validity of the method in three applications in which the surfaces and interfaces evolve: void surfaces in ductile fracture, the surface morphology due to significant plastic deformation of a nanoscale metal plate, and the interfaces (grain boundaries) and void surfaces in a nanoscale polycrystalline system undergoing ductile failure. The technique is found to be quite robust, even when the topology of the surfaces changes as in the case of void coalescence where two surfaces merge into one. It is found to add negligible computational overhead to an MD code, and is much less expensive than other techniques such as the solvent-accessible surface.

  14. Nonlinear Actuation Dynamics of Driven Casimir Oscillators with Rough Surfaces

    NASA Astrophysics Data System (ADS)

    Broer, Wijnand; Waalkens, Holger; Svetovoy, Vitaly B.; Knoester, Jasper; Palasantzas, George

    2015-11-01

    At separations below 100 nm, Casimir-Lifshitz forces strongly influence the actuation dynamics of microelectromechanical systems (MEMS) in dry vacuum conditions. For a micron-size plate oscillating near a surface, which mimics a frequently used setup in experiments with MEMS, we show that the roughness of the surfaces significantly influences the qualitative dynamics of the oscillator. Via a combination of analytical and numerical methods, it is shown that surface roughness leads to a clear increase of initial conditions associated with chaotic motion, that eventually lead to stiction between the surfaces. Since stiction leads to a malfunction of MEMS oscillators, our results are of central interest for the design of microdevices. Moreover, stiction is of significance for fundamentally motivated experiments performed with MEMS.

  15. Potential energy surfaces and reaction dynamics of polyatomic molecules

    SciTech Connect

    Chang, Yan-Tyng.

    1991-11-01

    A simple empirical valence bond (EVB) model approach is suggested for constructing global potential energy surfaces for reactions of polyatomic molecular systems. This approach produces smooth and continuous potential surfaces which can be directly utilized in a dynamical study. Two types of reactions are of special interest, the unimolecular dissociation and the unimolecular isomerization. For the first type, the molecular dissociation dynamics of formaldehyde on the ground electronic surface is investigated through classical trajectory calculations on EVB surfaces. The product state distributions and vector correlations obtained from this study suggest very similar behaviors seen in the experiments. The intramolecular hydrogen atom transfer in the formic acid dimer is an example of the isomerization reaction. High level ab initio quantum chemistry calculations are performed to obtain optimized equilibrium and transition state dimer geometries and also the harmonic frequencies.

  16. Renormalization group and instantons in stochastic nonlinear dynamics. From self-organized criticality to thermonuclear reactors

    NASA Astrophysics Data System (ADS)

    Volchenkov, D.

    2009-03-01

    Stochastic counterparts of nonlinear dynamics are studied by means of nonperturbative functional methods developed in the framework of quantum field theory (QFT). In particular, we discuss fully developed turbulence, including leading corrections on possible compressibility of fluids, transport through porous media, theory of waterspouts and tsunami waves, stochastic magneto-hydrodynamics, turbulent transport in crossed fields, self-organized criticality, and dynamics of accelerated wrinkled flame fronts advancing in a wide canal. This report would be of interest to the broad auditorium of physicists and applied mathematicians, with a background in nonperturbative QFT methods or nonlinear dynamical systems, having an interest in both methodological developments and interdisciplinary applications.

  17. Euler Strut: A Mechanical Analogy for Dynamics in the Vicinity of a Critical Point

    ERIC Educational Resources Information Center

    Bobnar, Jaka; Susman, Katarina; Parsegian, V. Adrian; Rand, Peter R.; Cepic, Mojca; Podgornik, Rudolf

    2011-01-01

    An anchored elastic filament (Euler strut) under an external point load applied to its free end is a simple model for a second-order phase transition. In the static case, a load greater than the critical load causes a Euler buckling instability, leading to a change in the filament's shape. The analysis of filament dynamics with an external point…

  18. Dynamic focal spots registration algorithm for freeform surface measurement

    NASA Astrophysics Data System (ADS)

    Guo, Wenjiang; Zhao, Liping; Chen, I.-Ming

    2013-06-01

    In a wavefront sensing system, the raw data for surface reconstruction, either the slope matrix or curvature matrix, is obtained through centroiding on the focal spot images. Centroiding is to calculate the first moment within a certain area of interest, which encloses the focal spot. As the distribution of focal spots is correlated to the surface sampling condition, while a uniform rectangular grid is good enough to register all the focal spots of a uniformly sampled near flat surface, the focal spots of aspherical or freeform surfaces have varying shapes and sizes depending on the surface geometry. In this case, the normal registration method is not applicable. This paper proposed a dynamic focal spots registration algorithm to automatically analyze the image, identify and register every focal spot for centroiding at one go. Through experiment on a freeform surface with polynomial coefficients up to 10th order, the feasibility and effectiveness of the proposed algorithm is proved.

  19. Sub-nanometer glass surface dynamics induced by illumination

    SciTech Connect

    Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T.; Lyding, Joseph; Gruebele, Martin

    2015-06-21

    Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 10{sup 4} s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass forming units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ∼1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses.

  20. Sub-nanometer glass surface dynamics induced by illumination.

    PubMed

    Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T; Lyding, Joseph; Gruebele, Martin

    2015-06-21

    Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 10(4) s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass forming units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ∼1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses. PMID:26093566

  1. Sub-nanometer glass surface dynamics induced by illumination

    NASA Astrophysics Data System (ADS)

    Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T.; Lyding, Joseph; Gruebele, Martin

    2015-06-01

    Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 104 s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass forming units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ˜1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses.

  2. Finite-temperature Dynamics and Quantum Criticality in a Model for Insulating Magnets

    NASA Astrophysics Data System (ADS)

    Wu, Jianda; Yang, Wang; Wu, Congjun; Si, Qimiao

    Theoretical understanding of the finite-temperature dynamics in quantum critical systems is a challenging problem, due to the mixing of thermal and quantum fluctuations. Recently, neutron scattering experiments in the three-dimensional quantum dimmer material TlCuCl3 under pressure tuning have mapped out the magnetic dynamics at finite temperatures in the quantum critical regime, thereby providing the opportunity for systematic understandings. In this work, we calculate the spin spectral function of an O (n) symmetric field theory using a field-theory procedure to two loops. We calculate the temperature dependence of the energy and damping rate of the spin excitations in the quantum critical regime, demonstrate a good agreement with the experimental results, and determine the parameter regime of the field theory that is appropriate for TlCuCl3. From our calculations we can also suggest further experimental means to test the applicability of the underlying field theory in this and related systems.

  3. Fractal and Small-World Networks Formed by Self-Organized Critical Dynamics

    NASA Astrophysics Data System (ADS)

    Watanabe, Akitomo; Mizutaka, Shogo; Yakubo, Kousuke

    2015-11-01

    We propose a dynamical model in which a network structure evolves in a self-organized critical (SOC) manner and explain a possible origin of the emergence of fractal and small-world networks. Our model combines a network growth and its decay by failures of nodes. The decay mechanism reflects the instability of large functional networks against cascading overload failures. It is demonstrated that the dynamical system surely exhibits SOC characteristics, such as power-law forms of the avalanche size distribution, the cluster size distribution, and the distribution of the time interval between intermittent avalanches. During the network evolution, fractal networks are spontaneously generated when networks experience critical cascades of failures that lead to a percolation transition. In contrast, networks far from criticality have small-world structures. We also observe the crossover behavior from fractal to small-world structure in the network evolution.

  4. Maximizing Sensory Dynamic Range by Tuning the Cortical State to Criticality

    PubMed Central

    Gautam, Shree Hari; Hoang, Thanh T.; McClanahan, Kylie; Grady, Stephen K.; Shew, Woodrow L.

    2015-01-01

    Modulation of interactions among neurons can manifest as dramatic changes in the state of population dynamics in cerebral cortex. How such transitions in cortical state impact the information processing performed by cortical circuits is not clear. Here we performed experiments and computational modeling to determine how somatosensory dynamic range depends on cortical state. We used microelectrode arrays to record ongoing and whisker stimulus-evoked population spiking activity in somatosensory cortex of urethane anesthetized rats. We observed a continuum of different cortical states; at one extreme population activity exhibited small scale variability and was weakly correlated, the other extreme had large scale fluctuations and strong correlations. In experiments, shifts along the continuum often occurred naturally, without direct manipulation. In addition, in both the experiment and the model we directly tuned the cortical state by manipulating inhibitory synaptic interactions. Our principal finding was that somatosensory dynamic range was maximized in a specific cortical state, called criticality, near the tipping point midway between the ends of the continuum. The optimal cortical state was uniquely characterized by scale-free ongoing population dynamics and moderate correlations, in line with theoretical predictions about criticality. However, to reproduce our experimental findings, we found that existing theory required modifications which account for activity-dependent depression. In conclusion, our experiments indicate that in vivo sensory dynamic range is maximized near criticality and our model revealed an unanticipated role for activity-dependent depression in this basic principle of cortical function. PMID:26623645

  5. Maximizing Sensory Dynamic Range by Tuning the Cortical State to Criticality.

    PubMed

    Gautam, Shree Hari; Hoang, Thanh T; McClanahan, Kylie; Grady, Stephen K; Shew, Woodrow L

    2015-12-01

    Modulation of interactions among neurons can manifest as dramatic changes in the state of population dynamics in cerebral cortex. How such transitions in cortical state impact the information processing performed by cortical circuits is not clear. Here we performed experiments and computational modeling to determine how somatosensory dynamic range depends on cortical state. We used microelectrode arrays to record ongoing and whisker stimulus-evoked population spiking activity in somatosensory cortex of urethane anesthetized rats. We observed a continuum of different cortical states; at one extreme population activity exhibited small scale variability and was weakly correlated, the other extreme had large scale fluctuations and strong correlations. In experiments, shifts along the continuum often occurred naturally, without direct manipulation. In addition, in both the experiment and the model we directly tuned the cortical state by manipulating inhibitory synaptic interactions. Our principal finding was that somatosensory dynamic range was maximized in a specific cortical state, called criticality, near the tipping point midway between the ends of the continuum. The optimal cortical state was uniquely characterized by scale-free ongoing population dynamics and moderate correlations, in line with theoretical predictions about criticality. However, to reproduce our experimental findings, we found that existing theory required modifications which account for activity-dependent depression. In conclusion, our experiments indicate that in vivo sensory dynamic range is maximized near criticality and our model revealed an unanticipated role for activity-dependent depression in this basic principle of cortical function. PMID:26623645

  6. Critical dynamics of the O(n)-symmetric relaxational models below the transition temperature

    NASA Astrophysics Data System (ADS)

    Täuber, U. C.; Schwabl, F.

    1992-08-01

    The critical dynamics of the O(n)-symmetric relaxational models with either nonconserved (model A) or conserved order parameter (model B) are studied below the transition temperature. As a consequence of Goldstone's theorem, the transverse modes are massless, implying infrared divergences in the theory along the entire coexistence curve. These Goldstone singularities can be treated within the field-theoretical formulation of the dynamical renormalization group by using the generalized regularization scheme as introduced by Amit and Goldschmidt, which has already been applied on the statics of the φ4 model below Tc by Lawrie. We extend the formalism in several respects: (i) we generalize it to dynamical phenomena, (ii) taking advantage of the fact that the theory is exactly treatable in the coexistence limit, we do not use the ɛ expansion; (iii) the flow equations are solved numerically, thus allowing for a detailed description of the crossover from the critical isotropic Heisenberg fixed point to the infrared-stable coexistence fixed point. We calculate the static susceptibilities as well as the dynamical correlation functions for models A and B within the complete crossover region, identifying the asymptotic coexistence anomalies and also a pronounced intermediate minimum of the effective critical exponents. Furthermore, the longitudinal dynamical correlation function GL(q,ω) displays an anomalous line shape.

  7. Wave action and critical surfaces for hydromagnetic-inertial-gravity waves

    NASA Astrophysics Data System (ADS)

    El Sawi, M.; Eltayeb, I. A.

    1981-05-01

    The propagation properties of hydromagnetic-inertial-gravity waves riding a basic state which varies slowly in two independent coordinates are examined in the Boussinesq approximation. The amplitudes of the waves are governed by an equation representing conservation of wave action. A study of the dispersion relation shows that the existence of critical surfaces (i.e. the analogue of critical levels in two-dimensions) is governed by nonlinear partial differential equations for the phase function of the waves. Although a solution of these equations is not readily obtainable, the geometric representation of the dispersion relation indicates the existence of critical surfaces for certain types of basic state. These are composed of magnetic field lines and, in contrast to the non-magnetic case, they are associated with energy propagation.

  8. Beneath the Surface: Teacher Subjectivities and the Appropriation of Critical Pedagogies

    ERIC Educational Resources Information Center

    Niesz, Tricia

    2006-01-01

    Little has been written about the complexity of educators' appropriation of critical pedagogies in the context of everyday life in schools. In this article, based on analyses of two teachers' practice drawn from a larger ethnographic study of an urban public middle school, I explore the emergence of classroom practice that on the surface seemed to…

  9. Persistence and elimination of human norovirus in food and on food contact surfaces: a critical review

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This critical review addresses the persistence of human norovirus (NoV) in water, shellfish, processed meats, soils and organic wastes; on berries, herbs, vegetables, fruits and salads; and on food contact surfaces. The review focuses on studies using NoV; information from studies involving only su...

  10. Selective Maturation of Temporal Dynamics of Intracortical Excitatory Transmission at the Critical Period Onset.

    PubMed

    Miao, Qinglong; Yao, Li; Rasch, Malte J; Ye, Qian; Li, Xiang; Zhang, Xiaohui

    2016-08-01

    Although the developmental maturation of cortical inhibitory synapses is known to be a critical factor in gating the onset of critical period (CP) for experience-dependent cortical plasticity, how synaptic transmission dynamics of other cortical synapses are regulated during the transition to CP remains unknown. Here, by systematically examining various intracortical synapses within layer 4 of the mouse visual cortex, we demonstrate that synaptic temporal dynamics of intracortical excitatory synapses on principal cells (PCs) and inhibitory parvalbumin- or somatostatin-expressing cells are selectively regulated before the CP onset, whereas those of intracortical inhibitory synapses and long-range thalamocortical excitatory synapses remain unchanged. This selective maturation of synaptic dynamics results from a ubiquitous reduction of presynaptic release and is dependent on visual experience. These findings provide an additional essential circuit mechanism for regulating CP timing in the developing visual cortex. PMID:27477277

  11. Optimal system size for complex dynamics in random neural networks near criticality

    SciTech Connect

    Wainrib, Gilles; García del Molino, Luis Carlos

    2013-12-15

    In this article, we consider a model of dynamical agents coupled through a random connectivity matrix, as introduced by Sompolinsky et al. [Phys. Rev. Lett. 61(3), 259–262 (1988)] in the context of random neural networks. When system size is infinite, it is known that increasing the disorder parameter induces a phase transition leading to chaotic dynamics. We observe and investigate here a novel phenomenon in the sub-critical regime for finite size systems: the probability of observing complex dynamics is maximal for an intermediate system size when the disorder is close enough to criticality. We give a more general explanation of this type of system size resonance in the framework of extreme values theory for eigenvalues of random matrices.

  12. Using Dynamic Geometry Software for the Intersection Surfaces

    ERIC Educational Resources Information Center

    Koparan, Timur; Yilmaz, Gül Kaleli

    2015-01-01

    The purpose of this study is to define prospective teacher views about using dynamic geometry software for intersection surfaces. The study was conducted as a case study. For this purpose, data collection tool was developed based on the opinion of two experts. The data collection tool consists of 4 open-ended questions related to the intersection…

  13. Nonlinear dynamics of a ball rolling on a surface

    NASA Astrophysics Data System (ADS)

    Virgin, L. N.; Lyman, T. C.; Davis, R. B.

    2010-03-01

    An underlying potential energy function can provide visual and intuitive insight into a system's stability and overall behavior. In particular, the motion of a ball moving along a curve or surface in a gravitational field provides a macroscale demonstration of interesting dynamics. We investigate the motion of a small ball rolling along a smooth two-dimensional potential surface. A direct experimental realization of this situation is suitable for demonstrating some classic features of nonlinear dynamics. The results of numerical simulations are directly compared with experimental data. To better characterize the dynamical behavior of the ball, especially when it is undergoing chaotic motion, several descriptive measures are discussed, including time-lag embedding, initial condition maps, power spectra, Lyapunov exponents, and fractal dimensions.

  14. Wetting dynamics of alkyl ketene dimer on cellulosic model surfaces

    SciTech Connect

    Garnier, G.; Bertin, M.; Smrckova, M.

    1999-10-26

    The dynamic wetting of a commercial alkyl ketene dimer (AKD) wax was measured on model cellulosic surfaces. The variables investigated were temperature and the surface composition. The model surfaces consisted of cellulose and cellulose acetate films as well as glass. These surfaces are smooth by industrial standards but not on a molecular level. The objective of the study was to predict the extent of AKD wetting during the time frame of papermaking. For smooth surfaces, AKD particles wet but do not spread on the hydrophilic surfaces investigated. AKD wetting proceeds from the balance of the interfacial forces with the viscous dissipation. The effect of gravity can be neglected for papermaking conditions. The Hoffman-Tanner equation modified for partial wetting provided a very good fit of the dynamic wetting. The slope of the graph is a function of temperature but not of the solid surface composition. Maslyiah's model also fits the experimental results well, but with a physically unrealistic value of the fitting parameter. For partial wetting, the complex but rigorous Cox equation is recommended to estimate the slip length over macroscopic wetting dimensions.

  15. The Critical Fugacity for Surface Adsorption of Self-Avoiding Walks on the Honeycomb Lattice is

    NASA Astrophysics Data System (ADS)

    Beaton, Nicholas R.; Bousquet-Mélou, Mireille; de Gier, Jan; Duminil-Copin, Hugo; Guttmann, Anthony J.

    2014-03-01

    In 2010, Duminil-Copin and Smirnov proved a long-standing conjecture of Nienhuis, made in 1982, that the growth constant of self-avoiding walks on the hexagonal (a.k.a. honeycomb) lattice is . A key identity used in that proof was later generalised by Smirnov so as to apply to a general O( n) loop model with (the case n = 0 corresponding to self-avoiding walks). We modify this model by restricting to a half-plane and introducing a surface fugacity y associated with boundary sites (also called surface sites), and obtain a generalisation of Smirnov's identity. The critical value of the surface fugacity was conjectured by Batchelor and Yung in 1995 to be . This value plays a crucial role in our generalized identity, just as the value of the growth constant did in Smirnov's identity. For the case n = 0, corresponding to self-avoiding walks interacting with a surface, we prove the conjectured value of the critical surface fugacity. A crucial part of the proof involves demonstrating that the generating function of self-avoiding bridges of height T, taken at its critical point 1/ μ, tends to 0 as T increases, as predicted from SLE theory.

  16. The critical surface fugacity of self-avoiding walks on a rotated honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Beaton, Nicholas R.

    2014-02-01

    In a recent paper by Beaton et al, it was proved that a model of self-avoiding walks on the honeycomb lattice, interacting with an impenetrable surface, undergoes an adsorption phase transition when the surface fugacity is 1+\\sqrt{2}. Their proof used a generalization of an identity obtained by Duminil-Copin and Smirnov, and confirmed a conjecture of Batchelor and Yung. We consider a similar model of self-avoiding walk adsorption on the honeycomb lattice, but with the lattice rotated by π/2. For this model there also exists a conjecture for the critical surface fugacity, made in 1998 by Batchelor, Bennett-Wood and Owczarek. Using similar methods to Beaton et al, we prove that this is indeed the critical fugacity.

  17. Highly collimated monoenergetic target-surface electron acceleration in near-critical-density plasmas

    SciTech Connect

    Mao, J. Y.; Chen, L. M.; Huang, K.; Ma, Y.; Zhao, J. R.; Yan, W. C.; Ma, J. L.; Wei, Z. Y.; Li, D. Z.; Aeschlimann, M.; Zhang, J.

    2015-03-30

    Optimized-quality monoenergetic target surface electron beams at MeV level with low normalized emittance (0.03π mm mrad) and high charge (30 pC) per shot have been obtained from 3 TW laser-solid interactions at a grazing incidence. The 2-Dimension particle-in-cell simulations suggest that electrons are wake-field accelerated in a large-scale, near-critical-density preplasma. It reveals that a bubble-like structure as an accelerating cavity appears in the near-critical-density plasma region and travels along the target surface. A bunch of electrons are pinched transversely and accelerated longitudinally by the wake field in the bubble. The outstanding normalized emittance and monochromaticity of such highly collimated surface electron beams could make it an ideal beam for fast ignition or may serve as an injector in traditional accelerators.

  18. Study of SRM Critical Surfaces Using Near Infrared Optical Fiber Spectrometry

    NASA Technical Reports Server (NTRS)

    Workman, G. L.; Hughes, C.; Arendale, W. A.

    1997-01-01

    The measurement and control of cleanliness for critical surfaces during manufacturing and in service operations provides a unique challenge in the current thrust for environmentally benign processes. Of particular interest has been work performed in maintaining quality in the production of bondline surfaces in propulsion systems and the identification of possible contaminants which are detrimental to the integrity of the bondline. This work requires an in-depth study of the possible sources of contamination, methodologies to identify contaminants, discrimination between contaminants and chemical species caused by environment, and the effect of particular contaminants on the bondline integrity of the critical surfaces. This paper will provide an introduction to the use of Near Infrared (NIR) optical fiber spectrometry in a nondestructive measurement system for process monitoring and how it can be used to help clarify issues concerning surface chemistry. In a previous conference, experimental results for quantitative measurement of silicone and Conoco HD2 greases, and tape residues on solid rocket motor surfaces were presented. This paper will present data for metal hydroxides and discuss the use of the integrating sphere to minimize the effects of physical properties of the surfaces (such as surface roughness) on the results obtained from the chemometric methods used for quantitative analysis.

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

    SciTech Connect

    Shen, Jian; Graber, Christof; Liburdy, James; Pence, Deborah; Narayanan, Vinod

    2010-05-15

    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. 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)

  20. Application of the dynamical droplet model to critical nonionic amphiphile-water micellar solutions

    NASA Astrophysics Data System (ADS)

    Ducros, E.; Haouache, S.; Rouch, J.; Hamano, K.; Fukuhara, K.; Tartaglia, P.

    1994-08-01

    A modified version of the dynamical droplet model, originally derived by Sorensen et al. [Phys. Rev. A 13, 1593 (1976)], is used to explain experimental results on alkyl-oxyethylene-glycol monoether (CiEj)-water critical micellar solutions. The model assumes that the physical clusters formed close to the critical point can be treated much like percolating clusters with a fractal dimension df=2.49 and a polydispersity exponent τ=2.21. For C6E3-H2O and C10E4-H2O critical mixtures, the modified version of the dynamical droplet model provides results in very good agreement with the experimental determinations of the scattered intensity, the turbidity, and the order parameter relaxation rate, when using as input parameters the three-dimensionsal universal Ising values of the critical exponents and the proper sizes of the individual scattering micelles. Static and dynamical background effects can be explained by the finite size of the monomers, which is explicitly taken into account by the model.

  1. Improving surface plasmon resonance sensor performance using critical-angle compensation

    NASA Astrophysics Data System (ADS)

    Chinowsky, Timothy M.; Strong, Anita A.; Bartholomew, Dwight U.; Jorgensen-Soelberg, Scott; Notides, Thomas; Furlong, Clement E.; Yee, Sinclair S.

    1999-11-01

    The sensing range of surface plasmon resonance (SPR) refractometry is greater than the thickness of most thin films of interest. Therefore, an SPR sensor will also respond to changes in the refractive index (RI) of the bulk analyte adjacent to the thin film, caused for instance by variations in analyte composition or temperature. These changes in bulk RI degrade the quality of SPR sensing data. One solution to this problem is simultaneously to measure both the SPR response and the bulk RI of the analyte and correct the SPR response for bulk RI variations. We present a simple implementation of this approach which uses critical angle refractometry. Our sensor is based on Texas Instruments' SpreetaTM SPR sensor. The gold is removed from the portion of the sensor surface which corresponds to angles less than the critical angle. The modified sensor delivers a composite spectrum which may be used for measurements of both the critical angle edge and the SPR dip. Theory of critical angle compensation is presented, and calibration and data analysis issues are outlined. Critical angle compensation for temperature and concentration induced bulk RI changes is demonstrated in detergent adsorption and antibody binding experiments.

  2. Oxide formation and alloying elements enrichment on TRIP steel surface during inter-critical annealing.

    PubMed

    Gong, Y F; Birosca, S; Kim, H S; De Cooman, B C

    2008-06-01

    The gas atmosphere in continuous annealing and galvanizing lines alters both composition and microstructure of the surface and sub-surface of sheet steels. The alloying element enrichments and the oxide morphology on transformation-induced plasticity steel surfaces are strongly influenced by the dew point of the furnace atmosphere and annealing temperature. The formation of a thin oxide film and enrichment of the alloying elements during annealing may result in surface defects on galvanized sheet products. The present contribution reports on the use of microanalysis techniques such as electron backscatter diffraction, glow discharge optical emission spectroscopy and electron probe micro-analysis for the detailed surface analysis of inter-critically annealed transformation-induced plasticity steel such as oxide phase determination, microstructure and microtexture evolutions. PMID:18503669

  3. Analysis of the relation between exposure parameters and critical dimension by response surface model

    NASA Astrophysics Data System (ADS)

    Sohn, Dong-Soo; Sohn, Young-Soo; Bak, Heungin; Oh, Hye-Keun

    2001-08-01

    It is important to know the relationship between the soft bake conditions and the Dill exposure parameters in order to control the lithographic process well. It has been reported that exposure parameter A can be significantly affected by the soft bake conditions, while the exposure parameters B and C show no dependency on the soft bake conditions. The exposure parameters have been considered less important in 193 nm chemically amplified resist (CAR) simulation. Since the critical dimension variation depends on the exposure parameters, if we know the relationship between them it would be helpful in developing resist and resist process. In this paper the profiles of a 193nm CAR were simulated with the various Dill exposure parameters and the results were analyzed by response surface model. The response surface methodology (RSM) approach was used to analyze the influence of independent factors on a dependent response, and to optimize each process. A method of steepest ascent was utilized to produce first-order models, which were verified by lack of fit testing. As optimum operation points were approached, a second-order model was fitted and analyzed. The Dill exposure parameter C affects critical dimension greatly whereas A and B have much less effect. Among parameters other than exposure parameters, PEB time and PEB temperature are great factors to affect critical dimension. Even small change of them can make great critical dimension changes. Process optimization for the target response value as well as process latitude was possible through the use of the response surface.

  4. Critical heat flux (CHF) phenomenon on a downward facing curved surface

    SciTech Connect

    Cheung, F.B.; Haddad, K.H.; Liu, Y.C.

    1997-06-01

    This report describes a theoretical and experimental study of the boundary layer boiling and critical heat flux phenomena on a downward facing curved heating surface, including both hemispherical and toroidal surfaces. A subscale boundary layer boiling (SBLB) test facility was developed to measure the spatial variation of the critical heat flux and observe the underlying mechanisms. Transient quenching and steady-state boiling experiments were performed in the SBLB facility under both saturated and subcooled conditions to obtain a complete database on the critical heat flux. To complement the experimental effort, an advanced hydrodynamic CHF model was developed from the conservation laws along with sound physical arguments. The model provides a clear physical explanation for the spatial variation of the CHF observed in the SBLB experiments and for the weak dependence of the CHF data on the physical size of the vessel. Based upon the CHF model, a scaling law was established for estimating the local critical heat flux on the outer surface of a heated hemispherical vessel that is fully submerged in water. The scaling law, which compares favorably with all the available local CHF data obtained for various vessel sizes, can be used to predict the local CHF limits on large commercial-size vessels. This technical information represents one of the essential elements that is needed in assessing the efficacy of external cooling of core melt by cavity flooding as a severe accident management strategy. 83 figs., 3 tabs.

  5. Phase behavior and critical activated dynamics of limited-valence DNA nanostars.

    PubMed

    Biffi, Silvia; Cerbino, Roberto; Bomboi, Francesca; Paraboschi, Elvezia Maria; Asselta, Rosanna; Sciortino, Francesco; Bellini, Tommaso

    2013-09-24

    Colloidal particles with directional interactions are key in the realization of new colloidal materials with possibly unconventional phase behaviors. Here we exploit DNA self-assembly to produce bulk quantities of "DNA stars" with three or four sticky terminals, mimicking molecules with controlled limited valence. Solutions of such molecules exhibit a consolution curve with an upper critical point, whose temperature and concentration decrease with the valence. Upon approaching the critical point from high temperature, the intensity of the scattered light diverges with a power law, whereas the intensity time autocorrelation functions show a surprising two-step relaxation, somehow reminiscent of glassy materials. The slow relaxation time exhibits an Arrhenius behavior with no signs of criticality, demonstrating a unique scenario where the critical slowing down of the concentration fluctuations is subordinate to the large lifetime of the DNA bonds, with relevant analogies to critical dynamics in polymer solutions. The combination of equilibrium and dynamic behavior of DNA nanostars demonstrates the potential of DNA molecules in diversifying the pathways toward collective properties and self-assembled materials, beyond the range of phenomena accessible with ordinary molecular fluids. PMID:24019470

  6. Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone

    NASA Astrophysics Data System (ADS)

    Mauguière, Frédéric A. L.; Collins, Peter; Kramer, Zeb C.; Carpenter, Barry K.; Ezra, Gregory S.; Farantos, Stavros C.; Wiggins, Stephen

    2016-02-01

    We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface. We investigate the problem of capture of an atom by a diatomic molecule and show that a normally hyperbolic invariant manifold exists at large atom-diatom distances, away from any critical points on the potential. This normally hyperbolic invariant manifold is the anchor for the construction of a dividing surface in phase space, which defines the outer or loose transition state governing capture dynamics. We present an algorithm for sampling an approximate capture dividing surface, and apply our methods to the recombination of the ozone molecule. We treat both 2 and 3 degrees of freedom models with zero total angular momentum. We have located the normally hyperbolic invariant manifold from which the orbiting (outer) transition state is constructed. This forms the basis for our analysis of trajectories for ozone in general, but with particular emphasis on the roaming trajectories.

  7. Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone.

    PubMed

    Mauguière, Frédéric A L; Collins, Peter; Kramer, Zeb C; Carpenter, Barry K; Ezra, Gregory S; Farantos, Stavros C; Wiggins, Stephen

    2016-02-01

    We examine the phase space structures that govern reaction dynamics in the absence of critical points on the potential energy surface. We show that in the vicinity of hyperbolic invariant tori, it is possible to define phase space dividing surfaces that are analogous to the dividing surfaces governing transition from reactants to products near a critical point of the potential energy surface. We investigate the problem of capture of an atom by a diatomic molecule and show that a normally hyperbolic invariant manifold exists at large atom-diatom distances, away from any critical points on the potential. This normally hyperbolic invariant manifold is the anchor for the construction of a dividing surface in phase space, which defines the outer or loose transition state governing capture dynamics. We present an algorithm for sampling an approximate capture dividing surface, and apply our methods to the recombination of the ozone molecule. We treat both 2 and 3 degrees of freedom models with zero total angular momentum. We have located the normally hyperbolic invariant manifold from which the orbiting (outer) transition state is constructed. This forms the basis for our analysis of trajectories for ozone in general, but with particular emphasis on the roaming trajectories. PMID:26851908

  8. Oxidation-driven surface dynamics on NiAl(100)

    SciTech Connect

    Qin, Hailang; Chen, Xidong; Li, Liang; Sutter, Peter W.; Zhou, Guangwen

    2014-12-29

    Atomic steps, a defect common to all crystal surfaces, can play an important role in many physical and chemical processes. However, attempts to predict surface dynamics under nonequilibrium conditions are usually frustrated by poor knowledge of the atomic processes of surface motion arising from mass transport from/to surface steps. Using low-energy electron microscopy that spatially and temporally resolves oxide film growth during the oxidation of NiAl(100) we demonstrate that surface steps are impermeable to oxide film growth. The advancement of the oxide occurs exclusively on the same terrace and requires the coordinated migration of surface steps. The resulting piling up of surface steps ahead of the oxide growth front progressively impedes the oxide growth. This process is reversed during oxide decomposition. The migration of the substrate steps is found to be a surface-step version of the well-known Hele-Shaw problem, governed by detachment (attachment) of Al atoms at step edges induced by the oxide growth (decomposition). As a result, by comparing with the oxidation of NiAl(110) that exhibits unimpeded oxide film growth over substrate steps, we suggest that whenever steps are the source of atoms used for oxide growth they limit the oxidation process; when atoms are supplied from the bulk, the oxidation rate is not limited by the motion of surface steps.

  9. Oxidation-driven surface dynamics on NiAl(100)

    DOE PAGESBeta

    Qin, Hailang; Chen, Xidong; Li, Liang; Sutter, Peter W.; Zhou, Guangwen

    2014-12-29

    Atomic steps, a defect common to all crystal surfaces, can play an important role in many physical and chemical processes. However, attempts to predict surface dynamics under nonequilibrium conditions are usually frustrated by poor knowledge of the atomic processes of surface motion arising from mass transport from/to surface steps. Using low-energy electron microscopy that spatially and temporally resolves oxide film growth during the oxidation of NiAl(100) we demonstrate that surface steps are impermeable to oxide film growth. The advancement of the oxide occurs exclusively on the same terrace and requires the coordinated migration of surface steps. The resulting piling upmore » of surface steps ahead of the oxide growth front progressively impedes the oxide growth. This process is reversed during oxide decomposition. The migration of the substrate steps is found to be a surface-step version of the well-known Hele-Shaw problem, governed by detachment (attachment) of Al atoms at step edges induced by the oxide growth (decomposition). As a result, by comparing with the oxidation of NiAl(110) that exhibits unimpeded oxide film growth over substrate steps, we suggest that whenever steps are the source of atoms used for oxide growth they limit the oxidation process; when atoms are supplied from the bulk, the oxidation rate is not limited by the motion of surface steps.« less

  10. Oxidation-driven surface dynamics on NiAl(100)

    NASA Astrophysics Data System (ADS)

    Qin, Hailang; Chen, Xidong; Li, Liang; Sutter, Peter W.; Zhou, Guangwen

    2015-01-01

    Atomic steps, a defect common to all crystal surfaces, can play an important role in many physical and chemical processes. However, attempts to predict surface dynamics under nonequilibrium conditions are usually frustrated by poor knowledge of the atomic processes of surface motion arising from mass transport from/to surface steps. Using low-energy electron microscopy that spatially and temporally resolves oxide film growth during the oxidation of NiAl(100) we demonstrate that surface steps are impermeable to oxide film growth. The advancement of the oxide occurs exclusively on the same terrace and requires the coordinated migration of surface steps. The resulting piling up of surface steps ahead of the oxide growth front progressively impedes the oxide growth. This process is reversed during oxide decomposition. The migration of the substrate steps is found to be a surface-step version of the well-known Hele-Shaw problem, governed by detachment (attachment) of Al atoms at step edges induced by the oxide growth (decomposition). By comparing with the oxidation of NiAl(110) that exhibits unimpeded oxide film growth over substrate steps we suggest that whenever steps are the source of atoms used for oxide growth they limit the oxidation process; when atoms are supplied from the bulk, the oxidation rate is not limited by the motion of surface steps.

  11. Oxidation-driven surface dynamics on NiAl(100)

    PubMed Central

    Qin, Hailang; Chen, Xidong; Li, Liang; Sutter, Peter W.; Zhou, Guangwen

    2015-01-01

    Atomic steps, a defect common to all crystal surfaces, can play an important role in many physical and chemical processes. However, attempts to predict surface dynamics under nonequilibrium conditions are usually frustrated by poor knowledge of the atomic processes of surface motion arising from mass transport from/to surface steps. Using low-energy electron microscopy that spatially and temporally resolves oxide film growth during the oxidation of NiAl(100) we demonstrate that surface steps are impermeable to oxide film growth. The advancement of the oxide occurs exclusively on the same terrace and requires the coordinated migration of surface steps. The resulting piling up of surface steps ahead of the oxide growth front progressively impedes the oxide growth. This process is reversed during oxide decomposition. The migration of the substrate steps is found to be a surface-step version of the well-known Hele-Shaw problem, governed by detachment (attachment) of Al atoms at step edges induced by the oxide growth (decomposition). By comparing with the oxidation of NiAl(110) that exhibits unimpeded oxide film growth over substrate steps we suggest that whenever steps are the source of atoms used for oxide growth they limit the oxidation process; when atoms are supplied from the bulk, the oxidation rate is not limited by the motion of surface steps. PMID:25548155

  12. Drop impact dynamics on liquid-infused superhydrophobic surfaces

    NASA Astrophysics Data System (ADS)

    Kim, Jeong-Hyun; Rothstein, Jonathan

    2015-11-01

    In this talk, we present a series of experiments investigating the drop impact dynamics on hydrophobic, air-infused and lubricant-infused superhydrophobic surfaces. To create the superhydrophobic surfaces, smooth Teflon (PTFE) surfaces were roughened by a 240-grit sandpaper. The immiscible and incompressible silicone oils with different viscosities were infused into features of the superhydrophobic surfaces by a skim coating technique. The spreading and retraction dynamics on a series of the tested surfaces will be presented. We will show that the maximal deformation of the drops on lubricant-infused surfaces grows with increasing viscosity ratio between a water drop and the infused oil. We will show that this increase in the maximal deformation with the viscosity ratio is consistent with increasing the velocity and the viscosity of the drops but the rims of the drops destabilize with increasing the drop velocity. Finally, we will demonstrate that increasing the viscosity of the infused oil induces higher viscous force at the contact line, resulting in reduction in the movement of the drops during retraction and corresponding increase in the final drop size.

  13. Cryogenic design of the liquid helium experiment ``critical dynamics in microgravity``

    SciTech Connect

    Moeur, W.A.; Adriaans, M.J.; Boyd, S.T.; Strayer, D.M.; Duncan, R.V. |

    1995-10-01

    Although many well controlled experiments have been conducted to measure the static properties of systems near criticality, few experiments have explored the transport properties in systems driven far away from equilibrium as a phase transition occurs. The cryogenic design of an experiment to study the dynamic aspect of critical phenomena is reported here. Measurements of the thermal gradient across the superfluid (He II) -- normal fluid (He I) interface in helium under microgravity conditions will be performed as a heat flux holds the system away from equilibrium. New technologies are under development for this experiment, which is in the definition phase for a space shuttle flight.

  14. Critical behavior at a dynamic vortex insulator-to-metal transition.

    PubMed

    Poccia, Nicola; Baturina, Tatyana I; Coneri, Francesco; Molenaar, Cor G; Wang, X Renshaw; Bianconi, Ginestra; Brinkman, Alexander; Hilgenkamp, Hans; Golubov, Alexander A; Vinokur, Valerii M

    2015-09-11

    An array of superconducting islands placed on a normal metal film offers a tunable realization of nanopatterned superconductivity. This system enables investigation of the nature of competing vortex states and phase transitions between them. A square array creates the eggcrate potential in which magnetic field-induced vortices are frozen into a vortex insulator. We observed a vortex insulator-vortex metal transition driven by the applied electric current and determined critical exponents that coincided with those for thermodynamic liquid-gas transition. Our findings offer a comprehensive description of dynamic critical behavior and establish a deep connection between equilibrium and nonequilibrium phase transitions. PMID:26359398

  15. Critical behavior of gelation probed by the dynamics of latex spheres

    SciTech Connect

    Fadda, G. C.; Lairez, D.; Pelta, J.

    2001-06-01

    We report a quasielastic light scattering study of the dynamics of large latex probe particles (R=225nm) in gelatin solution undergoing gelation. We show that by focusing on the short-time and long-time behavior of the autocorrelation function, it is possible to simply interpret out data in terms of the divergence of the viscosity and emergence of the shear elastic modulus near the gel point. Our crude analysis allows us to grasp the critical behavior of gelation and to obtain the two critical exponents of the transport properties.

  16. Critical behavior at a dynamic vortex insulator-to-metal transition

    NASA Astrophysics Data System (ADS)

    Poccia, Nicola; Baturina, Tatyana I.; Coneri, Francesco; Molenaar, Cor G.; Wang, X. Renshaw; Bianconi, Ginestra; Brinkman, Alexander; Hilgenkamp, Hans; Golubov, Alexander A.; Vinokur, Valerii M.

    2015-09-01

    An array of superconducting islands placed on a normal metal film offers a tunable realization of nanopatterned superconductivity. This system enables investigation of the nature of competing vortex states and phase transitions between them. A square array creates the eggcrate potential in which magnetic field-induced vortices are frozen into a vortex insulator. We observed a vortex insulator-vortex metal transition driven by the applied electric current and determined critical exponents that coincided with those for thermodynamic liquid-gas transition. Our findings offer a comprehensive description of dynamic critical behavior and establish a deep connection between equilibrium and nonequilibrium phase transitions.

  17. Drop impact and rebound dynamics on an inclined superhydrophobic surface.

    PubMed

    Yeong, Yong Han; Burton, James; Loth, Eric; Bayer, Ilker S

    2014-10-14

    Due to its potential in water-repelling applications, the impact and rebound dynamics of a water drop impinging perpendicular to a horizontal superhydrophobic surface have undergone extensive study. However, drops tend to strike a surface at an angle in applications. In such cases, the physics governing the effects of oblique impact are not well studied or understood. Therefore, the objective of this study was to conduct an experiment to investigate the impact and rebound dynamics of a drop at various liquid viscosities, in an isothermal environment, and on a nanocomposite superhydrophobic surface at normal and oblique impact conditions (tilted at 15°, 30°, 45°, and 60°). This study considered drops falling from various heights to create normal impact Weber numbers ranging from 6 to 110. In addition, drop viscosity was varied by decreasing the temperature for water drops and by utilizing water-glycerol mixtures, which have similar surface tension to water but higher viscosities. Results revealed that oblique and normal drop impact behaved similarly (in terms of maximum drop spread as well as rebound dynamics) at low normal Weber numbers. However, at higher Weber numbers, normal and oblique impact results diverged in terms of maximum spread, which could be related to asymmetry and more complex outcomes. These asymmetry effects became more pronounced as the inclination angle increased, to the point where they dominated the drop impact and rebound characteristics when the surface was inclined at 60°. The drop rebound characteristics on inclined surfaces could be classified into eight different outcomes driven primarily by normal Weber number and drop Ohnesorge numbers. However, it was found that these outcomes were also a function of the receding contact angle, whereby reduced receding angles yielded tail-like structures. Nevertheless, the contact times of the drops with the coating were found to be generally independent of surface inclination. PMID:25216298

  18. TiN surface dynamics: role of surface and bulk mass transport processes

    SciTech Connect

    Bareno, J.; Swiech, W.; Petrova, V.; Petrov, I.; Greene, J. E.; Kodambaka, S.; Khare, S. V.

    2007-02-09

    Transition-metal nitrides, such as TiN, have a wide variety of applications as hard, wear-resistant coatings, as diffusion barriers, and as scratch-resistant and anti-reflective coatings in optics. Understanding the surface morphological and microstructural evolution of these materials is crucial for improving the performance of devices. Studies of surface step dynamics enable determination of the rate-limiting mechanisms, corresponding surface mass transport parameters, and step energies. However, most models describing these phenomena are limited in application to simple elemental metal and semiconductor surfaces. Here, we summarize recent progress toward elucidating the interplay of surface and bulk diffusion processes on morphological evolution of compound surfaces. Specifically, we analyze the coarsening/decay kinetics of two- and three-dimensional TiN(111) islands and the effect of surface-terminated dislocations on TiN(111) steps.

  19. Surface tension and scaling of critical nuclei in diatomic and triatomic fluids

    NASA Astrophysics Data System (ADS)

    Napari, Ismo; Laaksonen, Ari

    2007-04-01

    Density functional theory has been used to investigate surface tension and scaling of critical clusters in fluids consisting of diatomic and rigid triatomic molecules. The atomic sites are hard spheres with attractive interactions obtained from the tail part of the Lennard-Jones potential. Asymmetry in attractive interactions between the atomic sites has been introduced to cause molecular orientation and oscillatory density profiles at liquid-vapor interfaces. The radial dependence of cluster surface tension in fluids showing modest orientation in unimolecular layer at the interface or no orientation at all resembles the surface tension behavior of clusters in simple monoatomic fluids, although the surface tension maximum becomes more pronounced with increasing chain length of the molecule. Surface tension of clusters having multiple oscillatory layers at the interface shows a prominent maximum at small cluster sizes; however, the surface tension of large clusters is lower than the planar value. The scaling relation for the number of molecules in the critical cluster and the nucleation barrier height developed by McGraw and Laaksonen [Phys. Rev. Lett. 76, 2754 (1996)] are well obeyed for fluids with little structure at liquid-vapor interface. However, fluids having enhanced interfacial structure show some deviation from the particle number scaling, and the barrier height scaling breaks up seriously.

  20. Investigating the dynamics of surface-immobilized DNA nanomachines.

    PubMed

    Dunn, Katherine E; Trefzer, Martin A; Johnson, Steven; Tyrrell, Andy M

    2016-01-01

    Surface-immobilization of molecules can have a profound influence on their structure, function and dynamics. Toehold-mediated strand displacement is often used in solution to drive synthetic nanomachines made from DNA, but the effects of surface-immobilization on the mechanism and kinetics of this reaction have not yet been fully elucidated. Here we show that the kinetics of strand displacement in surface-immobilized nanomachines are significantly different to those of the solution phase reaction, and we attribute this to the effects of intermolecular interactions within the DNA layer. We demonstrate that the dynamics of strand displacement can be manipulated by changing strand length, concentration and G/C content. By inserting mismatched bases it is also possible to tune the rates of the constituent displacement processes (toehold-binding and branch migration) independently, and information can be encoded in the time-dependence of the overall reaction. Our findings will facilitate the rational design of surface-immobilized dynamic DNA nanomachines, including computing devices and track-based motors. PMID:27387252

  1. Fast and Slow Wetting Dynamics on nanostructured surfaces

    NASA Astrophysics Data System (ADS)

    Nandyala, Dhiraj; Rahmani, Amir; Cubaud, Thomas; Colosqui, Carlos

    2015-11-01

    This talk will present force-displacement and spontaneous drop spreading measurements on diverse nanostructured surfaces (e.g., mesoporous titania thin films, nanoscale pillared structures, on silica or glass substrates). Experimental measurements are performed for water-air and water-oil systems. The dynamics of wetting observed in these experiments can present remarkable crossovers from fast to slow or arrested dynamics. The emergence of a slow wetting regime is attributed to a multiplicity of metastable equilibrium states induced by nanoscale surface features. The crossover point can be dramatically advanced or delayed by adjusting specific physical parameters (e.g., viscosity of the wetting phases) and geometric properties of the surface nanostructure (e.g., nanopore/pillar radius and separation). Controlling the crossover point to arrested dynamics can effectively modify the degree of contact angle hysteresis and magnitude of liquid adhesion forces observed on surfaces of different materials. This work is supported by a SEED Award from The Office of Brookhaven National Laboratory Affairs at Stony Brook University.

  2. Investigating the dynamics of surface-immobilized DNA nanomachines

    PubMed Central

    Dunn, Katherine E.; Trefzer, Martin A.; Johnson, Steven; Tyrrell, Andy M.

    2016-01-01

    Surface-immobilization of molecules can have a profound influence on their structure, function and dynamics. Toehold-mediated strand displacement is often used in solution to drive synthetic nanomachines made from DNA, but the effects of surface-immobilization on the mechanism and kinetics of this reaction have not yet been fully elucidated. Here we show that the kinetics of strand displacement in surface-immobilized nanomachines are significantly different to those of the solution phase reaction, and we attribute this to the effects of intermolecular interactions within the DNA layer. We demonstrate that the dynamics of strand displacement can be manipulated by changing strand length, concentration and G/C content. By inserting mismatched bases it is also possible to tune the rates of the constituent displacement processes (toehold-binding and branch migration) independently, and information can be encoded in the time-dependence of the overall reaction. Our findings will facilitate the rational design of surface-immobilized dynamic DNA nanomachines, including computing devices and track-based motors. PMID:27387252

  3. Efficient modelling of droplet dynamics on complex surfaces.

    PubMed

    Karapetsas, George; Chamakos, Nikolaos T; Papathanasiou, Athanasios G

    2016-03-01

    This work investigates the dynamics of droplet interaction with smooth or structured solid surfaces using a novel sharp-interface scheme which allows the efficient modelling of multiple dynamic contact lines. The liquid-gas and liquid-solid interfaces are treated in a unified context and the dynamic contact angle emerges simply due to the combined action of the disjoining and capillary pressure, and viscous stresses without the need of an explicit boundary condition or any requirement for the predefinition of the number and position of the contact lines. The latter, as it is shown, renders the model able to handle interfacial flows with topological changes, e.g. in the case of an impinging droplet on a structured surface. Then it is possible to predict, depending on the impact velocity, whether the droplet will fully or partially impregnate the structures of the solid, or will result in a 'fakir', i.e. suspended, state. In the case of a droplet sliding on an inclined substrate, we also demonstrate the built-in capability of our model to provide a prediction for either static or dynamic contact angle hysteresis. We focus our study on hydrophobic surfaces and examine the effect of the geometrical characteristics of the solid surface. It is shown that the presence of air inclusions trapped in the micro-structure of a hydrophobic substrate (Cassie-Baxter state) result in the decrease of contact angle hysteresis and in the increase of the droplet migration velocity in agreement with experimental observations for super-hydrophobic surfaces. Moreover, we perform 3D simulations which are in line with the 2D ones regarding the droplet mobility and also indicate that the contact angle hysteresis may be significantly affected by the directionality of the structures with respect to the droplet motion. PMID:26828706

  4. Efficient modelling of droplet dynamics on complex surfaces

    NASA Astrophysics Data System (ADS)

    Karapetsas, George; Chamakos, Nikolaos T.; Papathanasiou, Athanasios G.

    2016-03-01

    This work investigates the dynamics of droplet interaction with smooth or structured solid surfaces using a novel sharp-interface scheme which allows the efficient modelling of multiple dynamic contact lines. The liquid-gas and liquid-solid interfaces are treated in a unified context and the dynamic contact angle emerges simply due to the combined action of the disjoining and capillary pressure, and viscous stresses without the need of an explicit boundary condition or any requirement for the predefinition of the number and position of the contact lines. The latter, as it is shown, renders the model able to handle interfacial flows with topological changes, e.g. in the case of an impinging droplet on a structured surface. Then it is possible to predict, depending on the impact velocity, whether the droplet will fully or partially impregnate the structures of the solid, or will result in a ‘fakir’, i.e. suspended, state. In the case of a droplet sliding on an inclined substrate, we also demonstrate the built-in capability of our model to provide a prediction for either static or dynamic contact angle hysteresis. We focus our study on hydrophobic surfaces and examine the effect of the geometrical characteristics of the solid surface. It is shown that the presence of air inclusions trapped in the micro-structure of a hydrophobic substrate (Cassie-Baxter state) result in the decrease of contact angle hysteresis and in the increase of the droplet migration velocity in agreement with experimental observations for super-hydrophobic surfaces. Moreover, we perform 3D simulations which are in line with the 2D ones regarding the droplet mobility and also indicate that the contact angle hysteresis may be significantly affected by the directionality of the structures with respect to the droplet motion.

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

    SciTech Connect

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

    2015-10-28

    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 of 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.

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

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (Hen, 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 of 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 He4 and He5 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.

  7. Avalanche properties in a transport model based on critical-gradient fluctuation dynamics

    SciTech Connect

    Garcia, L.; Carreras, B.A.

    2005-09-15

    A simple one-dimensional transport model based on critical-gradient fluctuation dynamics is applied to describe some of the properties of plasma-turbulence-induced transport. This model combines avalanche-like transport with diffusion. The particle flux is self-regulated by the stability properties of the fluctuations. A high-gradient edge region emerges where transport dynamics is close to marginal stability. In steady state, the core remains at the subcritical gradient. The avalanches change from quasiperiodic events triggered mostly near the edge region to intermittent transport events depending on the noise level of the particle source.

  8. Microwave-Assisted Switching of Microscopic Rings: Correlation Between Nonlinear Spin Dynamics and Critical Microwave Fields

    NASA Astrophysics Data System (ADS)

    Podbielski, Jan; Heitmann, Detlef; Grundler, Dirk

    2007-11-01

    We have studied the spin dynamics of microscopic permalloy rings at GHz frequencies. Increasing the irradiation power, we observe first nonlinear spin dynamics and second microwave-assisted switching (MAS). We explore the MAS phase diagram as a function of microwave power and frequency f and, in particular, extract the critical microwave field hc(f). Its frequency dependence reflects characteristic eigenfrequencies from both the linear and nonlinear spin-wave spectrum. By comparing hc(f) with the different susceptibilities, we gain insight into the microscopic processes which might be the basis of a predictive theory of MAS.

  9. Method and apparatus for monitoring dynamic cardiovascular function using n-dimensional representatives of critical functions

    NASA Technical Reports Server (NTRS)

    Westinskow, Dwayne (Inventor); Agutter, James (Inventor); Syroid, Noah (Inventor); Strayer, David (Inventor); Albert, Robert (Inventor); Wachter, S. Blake (Inventor); Drews, Frank (Inventor)

    2010-01-01

    A method, system, apparatus and device for the monitoring, diagnosis and evaluation of the state of a dynamic pulmonary system is disclosed. This method and system provides the processing means for receiving sensed and/or simulated data, converting such data into a displayable object format and displaying such objects in a manner such that the interrelationships between the respective variables can be correlated and identified by a user. This invention provides for the rapid cognitive grasp of the overall state of a pulmonary critical function with respect to a dynamic system.

  10. Dynamics of ice nucleation on water repellent surfaces.

    PubMed

    Alizadeh, Azar; Yamada, Masako; Li, Ri; Shang, Wen; Otta, Shourya; Zhong, Sheng; Ge, Liehui; Dhinojwala, Ali; Conway, Ken R; Bahadur, Vaibhav; Vinciquerra, A Joseph; Stephens, Brian; Blohm, Margaret L

    2012-02-14

    Prevention of ice accretion and adhesion on surfaces is relevant to many applications, leading to improved operation safety, increased energy efficiency, and cost reduction. Development of passive nonicing coatings is highly desirable, since current antiicing strategies are energy and cost intensive. Superhydrophobicity has been proposed as a lead passive nonicing strategy, yet the exact mechanism of delayed icing on these surfaces is not clearly understood. In this work, we present an in-depth analysis of ice formation dynamics upon water droplet impact on surfaces with different wettabilities. We experimentally demonstrate that ice nucleation under low-humidity conditions can be delayed through control of surface chemistry and texture. Combining infrared (IR) thermometry and high-speed photography, we observe that the reduction of water-surface contact area on superhydrophobic surfaces plays a dual role in delaying nucleation: first by reducing heat transfer and second by reducing the probability of heterogeneous nucleation at the water-substrate interface. This work also includes an analysis (based on classical nucleation theory) to estimate various homogeneous and heterogeneous nucleation rates in icing situations. The key finding is that ice nucleation delay on superhydrophobic surfaces is more prominent at moderate degrees of supercooling, while closer to the homogeneous nucleation temperature, bulk and air-water interface nucleation effects become equally important. The study presented here offers a comprehensive perspective on the efficacy of textured surfaces for nonicing applications. PMID:22235939

  11. Real-time atomic resolution dynamics of glass surfaces

    NASA Astrophysics Data System (ADS)

    Ashtekar, Sumit Ravindra

    Although glasses are commonplace materials found in every walk of life, they have managed to remain mysterious for centuries. The origins of the defining characteristic of glasses, the glass transition, remain unknown. The glass transition is accompanied by a catastrophic increase in viscosity with a superexponential pace whose underlying reason has been difficult to pin down. Cooperatively rearranging regions (CRR) are playing an increasingly important role in explaining these phenomena. As CRR are only a few nanometers in size, much information can be gained by imaging studies of glasses at the atomic scale. This thesis employs the atomic resolution capabilities of scanning tunneling microscopy (STM) to study glass surfaces in real-time. Initial experiments on metallic glass surfaces discovered localized two-state dynamics of atomic clusters (2-8 atomic diameters) active even below the glass transition temperature (Tg). Atomic scale evidence of spatial and temporal heterogeneity was acquired. After multiple metallic glass surfaces were shown to exhibit these dynamics, it was proposed to be a universal phenomenon on glass surfaces with similar size distribution in terms of their average weighted diameter. The clusters were also shown to be thermally-activated by studying their temperature behavior. Similar dynamics were discovered on amorphous-silicon, which is an important electronic material, amidst the debate whether or not it is a glass. Further, the two-state dynamics were demonstrated to be quenched after the incorporation of hydrogen during the growth process. Individual CRRs are studied while simultaneously ramping their temperature. The single cluster traces showed marked shifts in the local equilibria illustrating a temperature-sensitive energy landscape. It was deduced that spatial heterogeneity (differences in rates at different sites) is the major contributor to the non-exponential glassy relaxations rather than temporal heterogeneity (differences in

  12. Dynamic polarization random walk model and fishbone-like instability for self-organized critical systems

    NASA Astrophysics Data System (ADS)

    Milovanov, Alexander V.

    2011-04-01

    We study the phenomenon of self-organized criticality (SOC) as a transport problem for electrically charged particles. A model for SOC based on the idea of a dynamic polarization response with random walks of the charge carriers gives critical exponents consistent with the results of numerical simulations of the traditional 'sandpile' SOC models, and stability properties, associated with the scaling of the control parameter versus distance to criticality. Relaxations of a supercritical system to SOC are stretched-exponential similar to the typically observed properties of non-Debye relaxation in disordered amorphous dielectrics. Overdriving the system near self-organized criticality is shown to have a destabilizing effect on the SOC state. This instability of the critical state constitutes a fascinating nonlinear system in which SOC and nonlocal properties can appear on an equal footing. The instability cycle is qualitatively similar to the internal kink ('fishbone') mode in a magnetically confined toroidal plasma where beams of energetic particles are injected at high power, and has serious implications for the functioning of complex systems. Theoretical analyses, presented here, are the basis for addressing the various patterns of self-organized critical behavior in connection with the strength of the driving. The results of this work also suggest a type of mixed behavior in which the typical multi-scale features due to SOC can coexist along with the global or coherent features as a consequence of the instability present. An example of this coexistence is speculated for the solar wind-magnetosphere interaction.

  13. Criticality and correlated dynamics at the irreversibility transition in periodically driven colloidal suspensions

    NASA Astrophysics Data System (ADS)

    Tjhung, Elsen; Berthier, Ludovic

    2016-03-01

    One possible framework to interpret the irreversibility transition observed in periodically driven colloidal suspensions is that of a non-equilibrium phase transition towards an absorbing reversible state at low amplitude of the driving force. We consider a simple numerical model for driven suspensions which allows us to characterize in great detail a large body of physical observables that can be experimentally determined to assess the existence and universality class of such a non-equilibrium phase transition. Characterizing the behaviour of static and dynamic correlation functions both in real and Fourier space we determine in particular several critical exponents for our model, which take values that are in good agreement with the universality class of directed percolation. We also provide a detailed analysis of single-particle and collective dynamics of the system near the phase transition, which appear intermittent and spatially correlated over diverging timescales and lengthscales, and provide clear signatures of the underlying criticality.

  14. Scaling behavior of quantum critical relaxation dynamics of a system in a heat bath

    NASA Astrophysics Data System (ADS)

    Yin, Shuai; Lo, Chung-Yu; Chen, Pochung

    2016-05-01

    We study the scaling behavior of the relaxation dynamics to thermal equilibrium when a quantum system is near the quantum critical point. In particular, we investigate systems whose relaxation dynamics is described by a Lindblad master equation. We find that the universal scaling behavior not only appears in the equilibrium stage at the long-time limit but also manifests in the nonequilibrium relaxation process. While the critical behavior is dictated by the low-lying energy levels of the Hamiltonian, the dissipative part in the Lindblad equation also plays important roles in two aspects: First, the dissipative part makes the high-energy levels decay fast, after which the universal behavior controlled by the low-lying modes emerges. Second, the dissipation rate gives rise to a time scale that affects the scaling behavior. We confirm our theory by solving the Lindblad equation for the one-dimensional transverse-field Ising model.

  15. Analytical description of critical dynamics for two-dimensional dissipative nonlinear maps

    NASA Astrophysics Data System (ADS)

    Méndez-Bermúdez, J. A.; de Oliveira, Juliano A.; Leonel, Edson D.

    2016-05-01

    The critical dynamics near the transition from unlimited to limited action diffusion for two families of well known dissipative nonlinear maps, namely the dissipative standard and dissipative discontinuous maps, is characterized by the use of an analytical approach. The approach is applied to explicitly obtain the average squared action as a function of the (discrete) time and the parameters controlling nonlinearity and dissipation. This allows to obtain a set of critical exponents so far obtained numerically in the literature. The theoretical predictions are verified by extensive numerical simulations. We conclude that all possible dynamical cases, independently on the map parameter values and initial conditions, collapse into the universal exponential decay of the properly normalized average squared action as a function of a normalized time. The formalism developed here can be extended to many other different types of mappings therefore making the methodology generic and robust.

  16. Sub-surface imaging of carbon nanotube-polymer composites using dynamic AFM methods.

    PubMed

    Cadena, Maria J; Misiego, Rocio; Smith, Kyle C; Avila, Alba; Pipes, Byron; Reifenberger, Ron; Raman, Arvind

    2013-04-01

    High-resolution sub-surface imaging of carbon nanotube (CNT) networks within polymer nanocomposites is demonstrated through electrical characterization techniques based on dynamic atomic force microscopy (AFM). We compare three techniques implemented in the single-pass configuration: DC-biased amplitude modulated AFM (AM-AFM), electrostatic force microscopy (EFM) and Kelvin probe force microscopy (KPFM) in terms of the physics of sub-surface image formation and experimental robustness. The methods were applied to study the dispersion of sub-surface networks of single-walled nanotubes (SWNTs) in a polyimide (PI) matrix. We conclude that among these methods, the KPFM channel, which measures the capacitance gradient (∂C/∂d) at the second harmonic of electrical excitation, is the best channel to obtain high-contrast images of the CNT network embedded in the polymer matrix, without the influence of surface conditions. Additionally, we propose an analysis of the ∂C/∂d images as a tool to characterize the dispersion and connectivity of the CNTs. Through the analysis we demonstrate that these AFM-based sub-surface methods probe sufficiently deep within the SWNT composites, to resolve clustered networks that likely play a role in conductivity percolation. This opens up the possibility of dynamic AFM-based characterization of sub-surface dispersion and connectivity in nanostructured composites, two critical parameters for nanocomposite applications in sensors and energy storage devices. PMID:23478510

  17. Dynamic Imaging of Surface Motion with a Stereo Borescope

    SciTech Connect

    Michael Berninger, Stuart Baker

    2008-12-11

    A new stereo borescope has been investigated that would provide a time-resolved calibrated method of recording the motion and deformation of a three-dimensional (3-D) surface during explosively driven dynamic shock experiments at the Nevada Test Site. In these experiments, geometries would likely prove to be incompatible with conventional direct optical systems. Single line-of-sight borescopes lack adequate depth-of-field for quantitative imaging of the 3-D surface. To improve depth-of-field and provide time resolution, a stereo borescope has been fabricated for use with a nine-frame framing camera. At one end, stereo optics couple light from the dynamic surface into a pair of flexible 1-mm-diameter correlated fiber-optic bundles. At the other end, small-format lenses (~3 mm) interface with the framing camera, which is set up to simultaneously record the separate-perspective views. All nine frames could be recorded in a period as short as 1.8 μs, and spatial resolution is optimized to 11 line-pairs per mm. To achieve pseudo 3-D depth perception, photogrammetric analysis has been demonstrated with commercial software from ADAM technology (Australia). This paper presents the results from time-resolved stereo images of dynamic surfaces collected in a series of high-explosives experiments at the National Security Technologies, LLC, “Boom Box” in Santa Barbara, CA. Experience with the stereo borescope has suggested other potentially useful stereoscopic applications, such as stereo viewing of moving surfaces on the interiors of engines and the heating of moving components, and the viewing material deposition on interior surfaces during machine operations and fabrication processes.

  18. Critical slowing down in polarization switching of vertical-cavity surface-emitting lasers

    NASA Astrophysics Data System (ADS)

    Wu, Yu-Heng; Li, Yueh-Chen; Kuo, Wang-Chuang; Yen, Tsu-Chiang

    2014-05-01

    This research investigated the critical slowing down in polarization switching (PS) of vertical-cavity surface-emitting lasers (VCSELs). The experiments were performed by step-function current injection in two types: step-up and stepdown. In the case of step-up and step-down, the relationship between relaxation time and final current in this experiment resembles critical slowing down (CSD). The critical currents of two step-function current experiment are compared. The PS in this experiment is a static case. We also find that the divergence of relaxation time follow a power law. These results contribute to the understanding of the mechanism of CSD in VCSEL's PS (VPS).

  19. Modeling apple surface temperature dynamics based on weather data.

    PubMed

    Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

    2014-01-01

    The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00-18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of "Fuji" apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management. PMID:25350507

  20. Modeling Apple Surface Temperature Dynamics Based on Weather Data

    PubMed Central

    Li, Lei; Peters, Troy; Zhang, Qin; Zhang, Jingjin; Huang, Danfeng

    2014-01-01

    The exposure of fruit surfaces to direct sunlight during the summer months can result in sunburn damage. Losses due to sunburn damage are a major economic problem when marketing fresh apples. The objective of this study was to develop and validate a model for simulating fruit surface temperature (FST) dynamics based on energy balance and measured weather data. A series of weather data (air temperature, humidity, solar radiation, and wind speed) was recorded for seven hours between 11:00–18:00 for two months at fifteen minute intervals. To validate the model, the FSTs of “Fuji” apples were monitored using an infrared camera in a natural orchard environment. The FST dynamics were measured using a series of thermal images. For the apples that were completely exposed to the sun, the RMSE of the model for estimating FST was less than 2.0 °C. A sensitivity analysis of the emissivity of the apple surface and the conductance of the fruit surface to water vapour showed that accurate estimations of the apple surface emissivity were important for the model. The validation results showed that the model was capable of accurately describing the thermal performances of apples under different solar radiation intensities. Thus, this model could be used to more accurately estimate the FST relative to estimates that only consider the air temperature. In addition, this model provides useful information for sunburn protection management. PMID:25350507

  1. Dynamic surface tension of natural surfactant extract under superimposed oscillations.

    PubMed

    Reddy, Prasika I; Al-Jumaily, Ahmed M; Bold, Geoff T

    2011-01-01

    Surfactant dysfunction plays a major role in respiratory distress syndrome (RDS). This research seeks to determine whether the use of natural surfactant, Curosurf™ (Cheisi Farmaceutici, Parma, Italy), accompanied with pressure oscillations at the level of the alveoli can reduce the surface tension in the lung, thereby making it easier for infants with RDS to maintain the required level of functional residual capacity (FRC) without collapse. To simulate the alveolar environment, dynamic surface tension measurements were performed on a modified pulsating bubble surfactometer (PBS) type device and showed that introducing superimposed oscillations about the tidal volume excursion between 10 and 70 Hz in a surfactant bubble lowers interfacial surface tension below values observed using tidal volume excursion alone. The specific mechanisms responsible for this improvement are yet to be established; however it is believed that one mechanism may be the rapid transient changes in the interfacial area increase the number of interfacial binding sites for surfactant molecules, increasing adsorption and diffusion to the interface, thereby decreasing interfacial surface tension. Existing mathematical models in the literature reproduce trends noticed in experiments in the range of breathing frequencies only. Thus, a modification is introduced to an existing model to both incorporate superimposed pressure oscillations and demonstrate that these may improve the dynamic surface tension in the alveoli. PMID:20883997

  2. Dynamic changes in PDMS surface morphology in femtosecond laser treatment.

    PubMed

    Moon, Heh-Young; Sidhu, Mehra S; Lee, Heung Soon; Jeoung, Sae Chae

    2015-07-27

    We have investigated the effect of the dynamics of crater size on the poly(dimethylsiloxane) (PDMS) surface morphology in fs-laser micro-processing. PDMS surface was processed with varying both inter-pulse interval and inter-spot distance between successive laser pulses. With keeping the interval of 5 ms crater shape is round even if the spot is overlapped in space. But decreasing the interval to 0.02 ms the shape of the crater is no longer round. Decreasing the inter-distance between the craters results in roughened surface morphology even at time intervals of 5 ms. Temporal dependence of single-shot fs-laser induced crater size was measured as a function of time delay. Within 0.1 ms after pulse irradiation with a fluence of 4.8 J/cm2 on PDMS surface the crater size has reached to its maximum values and then decreased with a time constant of about 0.3 ms. The surface morphology after fs-laser pulse irradiation is strongly dependent on not only inter-spot distance between successive laser pulse but also their inter-pulse intervals. By proposing a theoretical model on their dynamic features, we will try to explain the current observation in quantitatively. PMID:26367645

  3. Enhanced critical heat flux by capillary driven liquid flow on the well-designed surface

    NASA Astrophysics Data System (ADS)

    Kim, Dong Eok; Park, Su Cheong; Yu, Dong In; Kim, Moo Hwan; Ahn, Ho Seon

    2015-07-01

    Based on the unique design of the surface morphology, we investigated the effects of gravity and capillary pressure on Critical heat flux (CHF). The micro-structured surfaces for pool boiling tests were comprised with both the rectangular cavity and microchannel structures. The microcavity structures could intrinsically block the liquid flow by capillary pressure effect, and the capillary flow into the boiling surface was one-dimensionally induced only through the microchannel region. Thus, we could clearly establish the relationship between the CHF and capillary wicking flow. The driving potentials for the liquid inflow can be classified into the hydrostatic head by gravitational force, and the capillary pressure induced by the interactions of vapor bubbles, liquid film, and surface solid structures. Through the analysis of the experimental data and visualization of vapor bubble behaviors, we present that the liquid supplement to maintain the nucleate boiling regime in pool boiling condition is governed by the gravitational pressure head and capillary pressure effect.

  4. Critical considerations in the mitigation of insect residue contamination on aircraft surfaces - A review

    NASA Astrophysics Data System (ADS)

    Kok, Mariana; Smith, Joseph G.; Wohl, Christopher J.; Siochi, Emilie J.; Young, Trevor M.

    2015-05-01

    Mitigation of insect residue contamination on next generation aircraft is vital for the commercial exploitation of laminar flow technologies. A review of the critical entomological, meteorological and aeronautical factors affecting insect residue accumulation on aircraft leading edge surfaces is herein presented. An evaluation of a passive mitigation strategy, namely the use of anti-contamination coatings, has been conducted and the key issues in the use of these coatings highlighted. A summary of the variations in major experiments, including laboratory, wind tunnel and flight testing, is outlined. The effects of surface and material characteristics on insect residue adhesion were also investigated, with topographical features of the surface and surface chemistry shown as influential factors. The use of a substitute as an alternative to live insect testing has shown promise.

  5. The influence of surface adsorption on microbubble dynamics.

    PubMed

    Stride, E

    2008-06-28

    In a pure liquid, the behaviour of a gas or vapour microbubble is determined primarily by its size, the ambient pressure and the properties of the surrounding liquid. In practice, however, adsorption of a dissolved substance from the surrounding liquid onto the microbubble surface will often take place, producing a thin coating which can significantly affect both the microbubble's stability and its dynamic response. This can have important implications in a wide range of applications, including underwater acoustics, cavitation detection, medical imaging and drug delivery. The aim of this paper is to review the existing theoretical treatments of coated microbubbles and to present and discuss some recent developments. It will be shown that the presence of the coating can substantially modify the amplitude of microbubble volumetric oscillation, resonance characteristics and relative amplitude in tension and compression. Finally, the need for improved understanding of the dynamic behaviour of surface coatings at high frequencies will be discussed. PMID:18348975

  6. Molecular dynamics simulation of a binary mixture near the lower critical point.

    PubMed

    Pousaneh, Faezeh; Edholm, Olle; Maciołek, Anna

    2016-07-01

    2,6-lutidine molecules mix with water at high and low temperatures but in a wide intermediate temperature range a 2,6-lutidine/water mixture exhibits a miscibility gap. We constructed and validated an atomistic model for 2,6-lutidine and performed molecular dynamics simulations of 2,6-lutidine/water mixture at different temperatures. We determined the part of demixing curve with the lower critical point. The lower critical point extracted from our data is located close to the experimental one. The estimates for critical exponents obtained from our simulations are in a good agreement with the values corresponding to the 3D Ising universality class. PMID:27394111

  7. Dynamics of the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface: Molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    de Oliveira, Alan Barros; Fortini, Andrea; Buldyrev, Sergey V.; Srolovitz, David

    2011-04-01

    We study the dynamics of the contact between a pair of surfaces (with properties designed to mimic ruthenium) via molecular dynamics simulations. In particular, we study the contact between a ruthenium surface with a single nanoasperity and a flat ruthenium surface. The results of such simulations suggest that contact behavior is highly variable. The goal of this study is to investigate the source and degree of this variability. We find that during compression, the behavior of the contact force displacement curves is reproducible, while during contact separation, the behavior is highly variable. Examination of the contact surfaces suggests that two separation mechanisms are in operation and give rise to this variability. One mechanism corresponds to the formation of a bridge between the two surfaces that plastically stretches as the surfaces are drawn apart and eventually separate in shear. This leads to a morphology after separation in which there are opposing asperities on the two surfaces. This plastic separation/bridge formation mechanism leads to a large work of separation. The other mechanism is a more brittle-like mode in which a crack propagates across the base of the asperity (slightly below the asperity/substrate junction) leading to most of the asperity on one surface or the other after separation and a slight depression facing this asperity on the opposing surface. This failure mode corresponds to a smaller work of separation. This failure mode corresponds to a smaller work of separation. Furthermore, contacts made from materials that exhibit predominantly brittle-like behavior will tend to require lower work of separation than those made from ductile-like contact materials.

  8. Dynamics of turbulent transport dominated by the geodesic acoustic mode near the critical gradient regime

    SciTech Connect

    Miki, Kazuhiro; Kishimoto, Yasuaki; Li, Jiquan; Miyato, Naoaki

    2008-05-15

    The effects of geodesic acoustic modes (GAMs) on the toroidal ion temperature gradient turbulence and associated transport near the critical gradient regime in tokamak plasma are investigated based on global Landau-fluid simulations and extended predator-prey modeling analyses. A new type of intermittent dynamics of transport accompanied with the emission and propagation of the GAMs, i.e., GAM intermittency [K. Miki et al., Phys. Rev. Lett. 99, 145003 (2007)], has been found. The intermittent bursts are triggered by the onset of spatially propagating GAMs when the turbulent energy exceeds a critical value. The GAMs suffer collisionless damping during the propagation and nonlocally transfer local turbulence energy to wide radial region. The stationary zonal flows gradually increase due to the accumulation of non-damped residual part over many periods of quasi-periodic intermittent bursts and eventually quench the turbulence, leading to a nonlinear upshift of the linear critical gradient; namely, the Dimits shift. This process is categorized as a new class of transient dynamics, referred to as growing intermittency. The Dimits shift is found to be established through this dynamical process. An extended minimal predator-prey model with collisionless damping of the GAMs is proposed, which qualitatively reproduce the main features of the growing intermittency and approximately predict its various time scales observed in the simulations.

  9. Identifying early-warning signals of critical transitions with strong noise by dynamical network markers

    PubMed Central

    Liu, Rui; Chen, Pei; Aihara, Kazuyuki; Chen, Luonan

    2015-01-01

    Identifying early-warning signals of a critical transition for a complex system is difficult, especially when the target system is constantly perturbed by big noise, which makes the traditional methods fail due to the strong fluctuations of the observed data. In this work, we show that the critical transition is not traditional state-transition but probability distribution-transition when the noise is not sufficiently small, which, however, is a ubiquitous case in real systems. We present a model-free computational method to detect the warning signals before such transitions. The key idea behind is a strategy: “making big noise smaller” by a distribution-embedding scheme, which transforms the data from the observed state-variables with big noise to their distribution-variables with small noise, and thus makes the traditional criteria effective because of the significantly reduced fluctuations. Specifically, increasing the dimension of the observed data by moment expansion that changes the system from state-dynamics to probability distribution-dynamics, we derive new data in a higher-dimensional space but with much smaller noise. Then, we develop a criterion based on the dynamical network marker (DNM) to signal the impending critical transition using the transformed higher-dimensional data. We also demonstrate the effectiveness of our method in biological, ecological and financial systems. PMID:26647650

  10. Helium atom surface scattering apparatus for studies of crystalline surface dynamics

    NASA Astrophysics Data System (ADS)

    Safron, S. A.; Skofronick, J. G.

    The primary goal of this grant was the construction of a state-of-the-art He atom-surface spectroscopy (HASS) scattering instrument capable of determining both structure and dynamics of metal, insulator and semiconductor surfaces. The method measures the elastic and inelastic scattering of He atoms from the crystal surface as a function of angle and energy gains or losses. The project was begun on May 1, 1985, and this report covers the progress from inception to present. The nozzle beam has been characterized, both before and after scattering from a LiF crystal surface, and angular distributions from this surface have also been taken. In addition to the specular and Bragg peaks, fine structure between the peaks is shown to be due to various inelastic collision processes reported previously. Current efforts are to measure the inelastic processes by time-of-flight methods so as to repeat the previous surface dispersion measurements.

  11. Nodal Fermi surface pocket approaching an optimal quantum critical point in YBCO

    NASA Astrophysics Data System (ADS)

    Sebastian, Suchitra; Tan, Beng; Lonzarich, Gilbert; Ramshaw, Brad; Harrison, Neil; Balakirev, Fedor; Mielke, Chuck; Sabok, S.; Dabrowski, B.; Liang, Ruixing; Bonn, Doug; Hardy, Walter

    2014-03-01

    I present new quantum oscillation measurements over the entire underdoped regime in YBa2Cu3O6+x and YBa2Cu4O8 using ultra-high magnetic fields to destroy superconductivity and access the normal ground state. A robust small nodal Fermi surface created by charge order is found to extend over the entire underdoped range, exhibiting quantum critical signatures approaching optimal doping.

  12. Effect of surface stoichiometry and interfacial interactions on ultrafast carrier dynamics of crystalline CdTe (Presentation Recording)

    NASA Astrophysics Data System (ADS)

    He, Xing; Punpongjareorn, Napat; Wu, Chengyi; Rajagopal, Karjini; Yang, Ding-Shyue

    2015-08-01

    To improve the efficiency of optoelectronic devices, it is critical to understand the carrier dynamics of photoactive materials and the mechanisms involved, including those effects caused by different surface stoichiometry and/or interfacial interactions. A good example is CdTe, which exhibits cost-effective high performance in thin-film photovoltaic cells; it is also known to show surface oxidation, which may affect device efficiency and hence limit the production methods used. In this contribution, we present ultrafast carrier dynamics of crystalline CdTe specimens with different surface conditions using transient reflectivity measurements, following a femtosecond above-gap excitation. The distinct differences observed in the dynamics and the time constants for oxidized and stoichiometrically restored specimens indicate the major role of surface tellurium oxide on the relaxation of photoinduced carriers. The much slower recovery observed on oxidized surfaces is attributed to a transfer (and trapping) of electrons to the tellurium atoms with a high oxidation state, which signifies a charge separation near the surface. To distinguish the effect caused by oxygen adsorption, we also examined the carrier dynamics of CdTe surfaces covered by a thin layer of water molecules for comparison. These results, which show clear interfacial effects, may have broader implications for the understanding of carrier dynamics in nanostructured and polycrystalline specimens under different chemical environments, as such materials exhibit a high surface-to-volume ratio.

  13. Modeling of surface cleaning by cavitation bubble dynamics and collapse.

    PubMed

    Chahine, Georges L; Kapahi, Anil; Choi, Jin-Keun; Hsiao, Chao-Tsung

    2016-03-01

    Surface cleaning using cavitation bubble dynamics is investigated numerically through modeling of bubble dynamics, dirt particle motion, and fluid material interaction. Three fluid dynamics models; a potential flow model, a viscous model, and a compressible model, are used to describe the flow field generated by the bubble all showing the strong effects bubble explosive growth and collapse have on a dirt particle and on a layer of material to remove. Bubble deformation and reentrant jet formation are seen to be responsible for generating concentrated pressures, shear, and lift forces on the dirt particle and high impulsive loads on a layer of material to remove. Bubble explosive growth is also an important mechanism for removal of dirt particles, since strong suction forces in addition to shear are generated around the explosively growing bubble and can exert strong forces lifting the particles from the surface to clean and sucking them toward the bubble. To model material failure and removal, a finite element structure code is used and enables simulation of full fluid-structure interaction and investigation of the effects of various parameters. High impulsive pressures are generated during bubble collapse due to the impact of the bubble reentrant jet on the material surface and the subsequent collapse of the resulting toroidal bubble. Pits and material removal develop on the material surface when the impulsive pressure is large enough to result in high equivalent stresses exceeding the material yield stress or its ultimate strain. Cleaning depends on parameters such as the relative size between the bubble at its maximum volume and the particle size, the bubble standoff distance from the particle and from the material wall, and the excitation pressure field driving the bubble dynamics. These effects are discussed in this contribution. PMID:25982895

  14. Sodium diffusion through amorphous silica surfaces: a molecular dynamics study.

    PubMed

    Rarivomanantsoa, Michaël; Jund, Philippe; Jullien, Rémi

    2004-03-01

    We have studied the diffusion inside the silica network of sodium atoms initially located outside the surfaces of an amorphous silica film. We have focused our attention on structural and dynamical quantities, and we have found that the local environment of the sodium atoms is close to the local environment of the sodium atoms inside bulk sodo-silicate glasses obtained by quench. This is in agreement with recent experimental results. PMID:15267353

  15. Dynamic optometer. [for electronic recording of human lens anterior surface

    NASA Technical Reports Server (NTRS)

    Wilson, D. C.

    1974-01-01

    A dynamic optometer that electronically records the position of the anterior surface of the human lens is described. The geometrical optics of the eye and optometer, and the scattering of light from the lens, are closely examined to determine the optimum conditions for adjustment of the instrument. The light detector and associated electronics are also considered, and the operating conditions for obtaining the best signal-to-noise ratio are determined.

  16. Characterizing the spatial dynamics of land surface temperature-impervious surface fraction relationship

    NASA Astrophysics Data System (ADS)

    Wang, Jiong; Qingming, Zhan; Guo, Huagui; Jin, Zhicheng

    2016-03-01

    The land surface temperature (LST) pattern is treated as one of the primary indications of environmental impacts of land cover change. Researchers continue to explore the potential contribution of land surface to temperature rising. The LST-land surface relationship is dynamic and varies spatially. Based upon the previous studies, this research assumes that such dynamics is manifested at two levels: (1) the phenomenon level, and (2) its formation mechanism level. The research presents a workflow of exploring such dynamics at both levels. The variogram of the phenomenon and multi-scale analysis of the LST-land surface relationship are mutually interpreted. In the case study of Wuhan, China, the variogram of the LST indicates that the operational scale of the phenomenon is 500-650 m. It suggests the optimal scale to inspect the LST and its cause in the study area. This finding is verified and further inspected through multi-scale analysis of the LST-Impervious Surface Fraction (ISF) relationship at the formation mechanism level. The research also employs the Spatial Autocorrelation model to show how the ISF impacts the LST through scales. A flexible autocorrelation weight matrix is proposed and implemented in the model. The parameters of the model exhibit the thermal sensitivity of land surface and again represent the scale features. The Ordinary Least Square regression is used as the benchmark. Several implications are discussed.

  17. 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. PMID:25215736

  18. Critical dynamics of self-gravitating Langevin particles and bacterial populations.

    PubMed

    Sire, Clément; Chavanis, Pierre-Henri

    2008-12-01

    We study the critical dynamics of the generalized Smoluchowski-Poisson system (for self-gravitating Langevin particles) or generalized Keller-Segel model (for the chemotaxis of bacterial populations). These models [P. H. Chavanis and C. Sire, Phys. Rev. E 69, 016116 (2004)] are based on generalized stochastic processes leading to the Tsallis statistics. The equilibrium states correspond to polytropic configurations with index n similar to polytropic stars in astrophysics. At the critical index n_{3}=d(d-2) (where d>or=2 is the dimension of space), there exists a critical temperature Theta_{c} (for a given mass) or a critical mass M_{c} (for a given temperature). For Theta>Theta_{c} or MM_{c} the system collapses and forms, in a finite time, a Dirac peak containing a finite fraction M_{c} of the total mass surrounded by a halo. We study these regimes numerically and, when possible, analytically by looking for self-similar or pseudo-self-similar solutions. This study extends the critical dynamics of the ordinary Smoluchowski-Poisson system and Keller-Segel model in d=2 corresponding to isothermal configurations with n_{3}-->+infinity . We also stress the analogy between the limiting mass of white dwarf stars (Chandrasekhar's limit) and the critical mass of bacterial populations in the generalized Keller-Segel model of chemotaxis. PMID:19256806

  19. Critical dynamics of self-gravitating Langevin particles and bacterial populations

    NASA Astrophysics Data System (ADS)

    Sire, Clément; Chavanis, Pierre-Henri

    2008-12-01

    We study the critical dynamics of the generalized Smoluchowski-Poisson system (for self-gravitating Langevin particles) or generalized Keller-Segel model (for the chemotaxis of bacterial populations). These models [P. H. Chavanis and C. Sire, Phys. Rev. E 69, 016116 (2004)] are based on generalized stochastic processes leading to the Tsallis statistics. The equilibrium states correspond to polytropic configurations with index n similar to polytropic stars in astrophysics. At the critical index n3=d/(d-2) (where d⩾2 is the dimension of space), there exists a critical temperature Θc (for a given mass) or a critical mass Mc (for a given temperature). For Θ>Θc or MMc the system collapses and forms, in a finite time, a Dirac peak containing a finite fraction Mc of the total mass surrounded by a halo. We study these regimes numerically and, when possible, analytically by looking for self-similar or pseudo-self-similar solutions. This study extends the critical dynamics of the ordinary Smoluchowski-Poisson system and Keller-Segel model in d=2 corresponding to isothermal configurations with n3→+∞ . We also stress the analogy between the limiting mass of white dwarf stars (Chandrasekhar’s limit) and the critical mass of bacterial populations in the generalized Keller-Segel model of chemotaxis.

  20. 3D precision surface measurement by dynamic structured light

    NASA Astrophysics Data System (ADS)

    Franke, Ernest A.; Magee, Michael J.; Mitchell, Joseph N.; Rigney, Michael P.

    2004-02-01

    This paper describes a 3-D imaging technique developed as an internal research project at Southwest Research Institute. The technique is based on an extension of structured light methods in which a projected pattern of parallel lines is rotated over the surface to be measured. A sequence of images is captured and the surface elevation at any location can then be determined from measurements of the temporal pattern, at any point, without considering any other points on the surface. The paper describes techniques for system calibration and surface measurement based on the method of projected quadric shells. Algorithms were developed for image and signal analysis and computer programs were written to calibrate the system and to calculate 3-D coordinates of points on a measured surface. A prototype of the Dynamic Structured Light (DSL) 3-D imaging system was assembled and typical parts were measured. The design procedure was verified and used to implement several different configurations with different measurement volumes and measurement accuracy. A small-parts measurement accuracy of 32 micrometers (.0012") RMS was verified by measuring the surface of a precision-machined plane. Large aircraft control surfaces were measured with a prototype setup that provided .02" depth resolution over a 4" by 8" field of view. Measurement times are typically less than three minutes for 300,000 points. A patent application has been filed.

  1. A Method for Molecular Dynamics on Curved Surfaces.

    PubMed

    Paquay, Stefan; Kusters, Remy

    2016-03-29

    Dynamics simulations of constrained particles can greatly aid in understanding the temporal and spatial evolution of biological processes such as lateral transport along membranes and self-assembly of viruses. Most theoretical efforts in the field of diffusive transport have focused on solving the diffusion equation on curved surfaces, for which it is not tractable to incorporate particle interactions even though these play a crucial role in crowded systems. We show here that it is possible to take such interactions into account by combining standard constraint algorithms with the classical velocity Verlet scheme to perform molecular dynamics simulations of particles constrained to an arbitrarily curved surface. Furthermore, unlike Brownian dynamics schemes in local coordinates, our method is based on Cartesian coordinates, allowing for the reuse of many other standard tools without modifications, including parallelization through domain decomposition. We show that by applying the schemes to the Langevin equation for various surfaces, we obtain confined Brownian motion, which has direct applications to many biological and physical problems. Finally we present two practical examples that highlight the applicability of the method: 1) the influence of crowding and shape on the lateral diffusion of proteins in curved membranes; and 2) the self-assembly of a coarse-grained virus capsid protein model. PMID:27028633

  2. Structure, dynamics, and surface reactions of bioactive glasses

    NASA Astrophysics Data System (ADS)

    Zeitler, Todd R.

    Three bioactive glasses (45S5, 55S4.3, and 60S3.8) have been investigated using atomic-scale molecular dynamics simulations in attempt to explain differences in observed macroscopic bioactivity. Bulk and surface structures and bulk dynamics have been characterized. Ion exchange and hydrolysis reactions, the first two stages in Hench's model describing the reactions of bioactive glass surfaces in vivo, have been investigated in detail. The 45S5 composition shows a much greater network fragmentation: it is suggested that this fragmentation can play a role in at least the first two stages of Hench's model for HCA formation on the surfaces of bioactive glasses. In terms of dynamic behavior, long-range diffusion was only observed for sodium. Calcium showed only jumps between adjacent sites, while phosphorus showed only local vibrations. Surface simulations show the distinct accumulation of sodium at the immediate surface for each composition. Surface channels are also shown to exist and are most evident for 45S5 glass. Results for a single ion exchange showed that the ion-exchange reaction is preferred (more exothermic) for Na+ ions near Si, rather than P. A range of reaction energies were found, due to a range of local environments, as expected for a glass surface. The average reaction energies are not significantly different among the three glass compositions. The results for bond hydrolysis on as-created surfaces show no significant differences among the three compositions for simulations involving Si-O-Si or Si-O-P. All average values are greater than zero, indicating endothermic reactions that are not favorable by themselves. However, it is shown that the hydrolysis reactions became more favorable (in fact, exothermic for 45S5 and 55S4.3) when simulated on surfaces that had already been ion-exchanged. This is significant because it gives evidence supporting Hench's proposed reaction sequence. Perhaps even more significantly, the reaction energies for hydrolysis

  3. Observation of dynamic water microadsorption on Au surface

    SciTech Connect

    Huang, Xiaokang Gupta, Gaurav; Gao, Weixiang; Tran, Van; Nguyen, Bang; McCormick, Eric; Cui, Yongjie; Yang, Yinbao; Hall, Craig; Isom, Harold

    2014-05-15

    Experimental and theoretical research on water wettability, adsorption, and condensation on solid surfaces has been ongoing for many decades because of the availability of new materials, new detection and measurement techniques, novel applications, and different scales of dimensions. Au is a metal of special interest because it is chemically inert, has a high surface energy, is highly conductive, and has a relatively high melting point. It has wide applications in semiconductor integrated circuitry, microelectromechanical systems, microfluidics, biochips, jewelry, coinage, and even dental restoration. Therefore, its surface condition, wettability, wear resistance, lubrication, and friction attract a lot of attention from both scientists and engineers. In this paper, the authors experimentally investigated Au{sub 2}O{sub 3} growth, wettability, roughness, and adsorption utilizing atomic force microscopy, scanning electron microscopy, reflectance spectrometry, and contact angle measurement. Samples were made using a GaAs substrate. Utilizing a super-hydrophilic Au surface and the proper surface conditions of the surrounding GaAs, dynamic microadsorption of water on the Au surface was observed in a clean room environment. The Au surface area can be as small as 12 μm{sup 2}. The adsorbed water was collected by the GaAs groove structure and then redistributed around the structure. A model was developed to qualitatively describe the dynamic microadsorption process. The effective adsorption rate was estimated by modeling and experimental data. Devices for moisture collection and a liquid channel can be made by properly arranging the wettabilities or contact angles of different materials. These novel devices will be very useful in microfluid applications or biochips.

  4. Biofilm attachment reduction on bioinspired, dynamic, micro-wrinkling surfaces

    NASA Astrophysics Data System (ADS)

    Epstein, Alexander K.; Hong, Donggyoon; Kim, Philseok; Aizenberg, Joanna

    2013-09-01

    Most bacteria live in multicellular communities known as biofilms that are adherent to surfaces in our environment, from sea beds to plumbing systems. Biofilms are often associated with clinical infections, nosocomial deaths and industrial damage such as bio-corrosion and clogging of pipes. As mature biofilms are extremely challenging to eradicate once formed, prevention is advantageous over treatment. However, conventional surface chemistry strategies are either generally transient, due to chemical masking, or toxic, as in the case of leaching marine antifouling paints. Inspired by the nonfouling skins of echinoderms and other marine organisms, which possess highly dynamic surface structures that mechanically frustrate bio-attachment, we have developed and tested a synthetic platform based on both uniaxial mechanical strain and buckling-induced elastomer microtopography. Bacterial biofilm attachment to the dynamic substrates was studied under an array of parameters, including strain amplitude and timescale (1-100 mm s-1), surface wrinkle length scale, bacterial species and cell geometry, and growth time. The optimal conditions for achieving up to ˜ 80% Pseudomonas aeruginosa biofilm reduction after 24 h growth and ˜ 60% reduction after 48 h were combinatorially elucidated to occur at 20% strain amplitude, a timescale of less than ˜ 5 min between strain cycles and a topography length scale corresponding to the cell dimension of ˜ 1 μm. Divergent effects on the attachment of P. aeruginosa, Staphylococcus aureus and Escherichia coli biofilms showed that the dynamic substrate also provides a new means of species-specific biofilm inhibition, or inversely, selection for a desired type of bacteria, without reliance on any toxic or transient surface chemical treatments.

  5. 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

  6. Interactions between surface roughness and airflow turbulence affecting drying dynamics of rough porous surfaces

    NASA Astrophysics Data System (ADS)

    Haghighi, Erfan; Kirchner, James; Or, Dani

    2016-04-01

    Evaporative drying of porous surfaces interacting with turbulent airflows is common in various industrial and natural applications. The intrinsic relief and roughness of natural porous surfaces are likely to influence the structure of interacting turbulent airflow boundary layers, and thus affect rates and patterns of heat and vapor fluxes from the surface. These links have been formalized in new mechanistic models that consider intermittent and localized turbulence-induced boundary layers, resulting in rich surface evaporation and energy exchange dynamics. The models were evaluated experimentally by systematically varying surface roughness elements in drying experiments of wavy and bluff-body covered sand surfaces in a wind tunnel. Thermal infrared signatures of localized evaporative fluxes as well as mean evaporative mass losses were recorded. The resulting patterns were in good agreement with model predictions for local and surface averaged turbulent exchange rates. Experimental and theoretical results suggest that evaporative water losses from wavy sand surfaces can be either enhanced or suppressed (relative to a flat surface), due to the complex interplay between the local boundary layer thickness and internal limitations on water flow to the evaporating surface. For sand surfaces covered by isolated cylindrical elements (bluff bodies), model predictions and measurements show persistent enhancement of evaporative fluxes from bluff-rough surfaces compared to a flat surface under similar conditions. This enhancement is attributed to the formation of vortices that thin the boundary layer over part of the interacting surface footprint. The implications of this study for interpreting and upscaling evapotranspiration rates from terrestrial surfaces will be discussed.

  7. Multi-Scale Dynamics From Earth's Surface into the Thermosphere

    NASA Astrophysics Data System (ADS)

    Fritts, David

    2016-07-01

    Atmospheric structures ranging from very small scales near Earth's surface to much larger scales in the mesosphere and lower thermosphere (MLT) appear to exhibit common features and underlying dynamics. Above the turbopause at ~110 km, kinematic viscosity and thermal diffusivity largely suppress flow instabilities leading to turbulence. Below the turbopause, however, multi-scale dynamics appear to drive systematic transfers of energy both among quasi-two-dimensional (2D) motions at larger scales and to three-dimensional (3D) instabilities and turbulence at smaller scales. Such multi-scale dynamics arise due to superposed GWs and background wind shears and readily drive local layered structures comprising thinner, strongly stratified and sheared "sheets" and thicker, weakly stratified and sheared "layers". These environments initiate various types of instabilities that yield local turbulence and mixing that contribute to maintenance of the "sheet and layer" (S&L) structures. Idealized modeling of these dynamics describe many S&L flow, instability, and turbulence features that are confirmed by observations from the stable boundary layer into the mesosphere. Similar dynamics accompany larger-scale gravity waves that encounter variable stratification and shear, and that induce strong local body forces, throughout the atmosphere.

  8. Sound attenuation near the demixing point of binary liquids: interplay of critical dynamics and noncritical kinetics

    NASA Astrophysics Data System (ADS)

    Bhattacharjee, Jayanta K.; Kaatze, Udo; Mirzaev, Sirojiddin Z.

    2010-06-01

    The nature and origin of sound attenuation due to critical fluctuations near the liquid consolute point are discussed. Starting from basic principles, the background of critical phenomena is reviewed and the conceptions of theoretical approaches to describe the critical contributions to the propagation of sound are analysed. Experimental broadband spectra of suitable binary systems are evaluated jointly with results from quasi-elastic light scattering, shear viscosity and heat capacity measurements to verify or disprove theoretical predictions. It is shown that spectra of systems without or with only small-amplitude ultrasonic contribution from noncritical relaxation processes can be represented by theory with the asymptotic high-frequency sonic attenuation coefficient as a simple adjustable parameter. As a result, sonic spectra of more complex systems, exhibiting significant contributions from noncritical ultrasonic relaxations, are discussed assuming the critical part to be known from theory and auxiliary data. This modus operandi allows for a clear extraction of parameters relevant to the noncritical elementary processes in liquid mixtures, such as conformational changes, protolysis and hydrolysis reactions, monomer exchange from micelles and rotational isomerizations of membrane molecules. The influence of the critical dynamics on the noncritical kinetics is disclosed for some topical examples.

  9. Static and dynamic critical behavior of a symmetrical binary fluid: a computer simulation.

    PubMed

    Das, Subir K; Horbach, Jürgen; Binder, Kurt; Fisher, Michael E; Sengers, Jan V

    2006-07-14

    A symmetrical binary, A+B Lennard-Jones mixture is studied by a combination of semi-grand-canonical Monte Carlo (SGMC) and molecular dynamics (MD) methods near a liquid-liquid critical temperature T(c). Choosing equal chemical potentials for the two species, the SGMC switches identities (A-->B-->A) to generate well-equilibrated configurations of the system on the coexistence curve for Tcritical concentration, x(c)=12, for T>T(c). A finite-size scaling analysis of the concentration susceptibility above T(c) and of the order parameter below T(c) is performed, varying the number of particles from N=400 to 12 800. The data are fully compatible with the expected critical exponents of the three-dimensional Ising universality class. The equilibrium configurations from the SGMC runs are used as initial states for microcanonical MD runs, from which transport coefficients are extracted. Self-diffusion coefficients are obtained from the Einstein relation, while the interdiffusion coefficient and the shear viscosity are estimated from Green-Kubo expressions. As expected, the self-diffusion constant does not display a detectable critical anomaly. With appropriate finite-size scaling analysis, we show that the simulation data for the shear viscosity and the mutual diffusion constant are quite consistent both with the theoretically predicted behavior, including the critical exponents and amplitudes, and with the most accurate experimental evidence. PMID:16848591

  10. Neuronal Avalanches Imply Maximum Dynamic Range in Cortical Networks at Criticality

    PubMed Central

    Shew, Woodrow L.; Yang, Hongdian; Petermann, Thomas; Roy, Rajarshi

    2009-01-01

    Spontaneous neuronal activity is a ubiquitous feature of cortex. Its spatiotemporal organization reflects past input and modulates future network output. Here we study whether a particular type of spontaneous activity is generated by a network that is optimized for input processing. Neuronal avalanches are a type of spontaneous activity observed in superficial cortical layers in vitro and in vivo with statistical properties expected from a network operating at “criticality.” Theory predicts that criticality and, therefore, neuronal avalanches are optimal for input processing, but until now, this has not been tested in experiments. Here, we use cortex slice cultures grown on planar microelectrode arrays to demonstrate that cortical networks that generate neuronal avalanches benefit from a maximized dynamic range, i.e., the ability to respond to the greatest range of stimuli. By changing the ratio of excitation and inhibition in the cultures, we derive a network tuning curve for stimulus processing as a function of distance from criticality in agreement with predictions from our simulations. Our findings suggest that in the cortex, (1) balanced excitation and inhibition establishes criticality, which maximizes the range of inputs that can be processed, and (2) spontaneous activity and input processing are unified in the context of critical phenomena. PMID:20007483

  11. Viscoplasticity with dynamic yield surface coupled to damage

    NASA Astrophysics Data System (ADS)

    Johansson, M.; Runesson, K.

    1997-07-01

    A formulation of viscoplasticity theory, with kinetic coupling to damage, is presented. The main purpose is to describe rate-dependent material behavior and failure processes, including creep-rupture (for constant load) and creep-fatigue (for cyclic load). The Duvaut-Lions' formulation of viscoplasticity is adopted with quite general hardening of the quasistatic yield surface. The formulation is thermodynamically consistent, i.e. the dissipation inequality is satisfied. Like in the classical viscoplasticity formulations, the rate-independent response is activated at a very small loading rate. In addition, an (unconventional) dynamic yield surface is introduced, and this is approached asymptotically at infinite loading rate. Explicit constitutive relations are established for a quasistatic yield surface of von Mises type with nonlinear hardening. The resulting model is assessed for a variety of loading situations.

  12. Surface nanobubble nucleation dynamics during water-ethanol exchange

    NASA Astrophysics Data System (ADS)

    Chan, Chon U.; Ohl, Claus-Dieter

    2015-11-01

    Water-ethanol exchange has been a promising nucleation method for surface attached nanobubbles since their discovery. In this process, water and ethanol displace each other sequentially on a substrate. As the gas solubility is 36 times higher in ethanol than water, it was suggested that the exchange process leads to transient supersaturation and is responsible for the nanobubble nucleation. In this work, we visualize the nucleation dynamics by controllably mixing water and ethanol. It depicts the temporal evolution of the conventional exchange in a single field of view, detailing the conditions for surface nanobubble nucleation and the flow field that influences their spatial organization. This technique can also pattern surface nanobubbles with variable size distribution.

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

    PubMed

    Bendik, Nathan F; 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

  14. 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

  15. Molecular Dynamics Simulations of Glycerol Monooleate Confined between Mica Surfaces.

    PubMed

    Bradley-Shaw, Joshua L; Camp, Philip J; Dowding, Peter J; Lewtas, Ken

    2016-08-01

    The structure and frictional properties of glycerol monooleate (GMO) in organic solvents, with and without water impurity, confined and sheared between two mica surfaces are examined using molecular dynamics simulations. The structure of the fluid is characterized in various ways, and the differences between systems with nonaggregated GMO and with preformed GMO reverse micelles are examined. Preformed reverse micelles are metastable under static conditions in all systems. In n-heptane under shear conditions, with or without water, preformed GMO reverse micelles remain intact and adsorb onto one surface or another, becoming surface micelles. In dry toluene, preformed reverse micelles break apart under shear, while in the presence of water, the reverse micelles survive and become surface micelles. In all systems under static and shear conditions, nonaggregated GMO adsorbs onto both surfaces with roughly equal probability. Added water is strongly associated with the GMO, irrespective of shear or the form of the added GMO. In all cases, with increasing shear rate, the GMO molecules flatten on the surface, and the kinetic friction coefficient increases. Under low-shear conditions, the friction is insensitive to the form of the GMO added, whereas the presence of water is found to lead to a small reduction in friction. Under high-shear conditions, the presence of reverse micelles leads to a significant reduction in friction, whereas the presence of water increases the friction in n-heptane and decreases the friction in toluene. PMID:27429247

  16. Spreading dynamics of droplet on an inclined surface

    NASA Astrophysics Data System (ADS)

    Shen, Chaoqun; Yu, Cheng; Chen, Yongping

    2016-06-01

    A three-dimensional unsteady theoretical model of droplet spreading process on an inclined surface is developed and numerically analyzed to investigate the droplet spreading dynamics via the lattice Boltzmann simulation. The contact line motion and morphology evolution for the droplet spreading on an inclined surface, which are, respectively, represented by the advancing/receding spreading factor and droplet wetted length, are evaluated and analyzed. The effects of surface wettability and inclination on the droplet spreading behaviors are examined. The results indicate that, dominated by gravity and capillarity, the droplet experiences a complex asymmetric deformation and sliding motion after the droplet comes into contact with the inclined surfaces. The droplet firstly deforms near the solid surface and mainly exhibits a radial expansion flow in the start-up stage. An evident sliding-down motion along the inclination is observed in the middle stage. And the surface-tension-driven retraction occurs during the retract stage. Increases in inclination angle and equilibrium contact angle lead to a faster droplet motion and a smaller wetted area. In addition, increases in equilibrium contact angle lead to a shorter duration time of the middle stage and an earlier entry into the retract stage.

  17. Nonlinear Dynamics of Biofilm Growth on Sediment Surfaces

    NASA Astrophysics Data System (ADS)

    Molz, F. J.; Murdoch, L. C.; Faybishenko, B.

    2013-12-01

    Bioclogging often begins with the establishment of small colonies (microcolonies), which then form biofilms on the surfaces of a porous medium. These biofilm-porous media surfaces are not simple coatings of single microbes, but complex assemblages of cooperative and competing microbes, interacting with their chemical environment. This leads one to ask: what are the underlying dynamics involved with biofilm growth? To begin answering this question, we have extended the work of Kot et al. (1992, Bull. Mathematical Bio.) from a fully mixed chemostat to an idealized, one-dimensional, biofilm environment, taking into account a simple predator-prey microbial competition, with the prey feeding on a specified food source. With a variable (periodic) food source, Kot et al. (1992) were able to demonstrate chaotic dynamics in the coupled substrate-prey-predator system. Initially, deterministic chaos was thought by many to be mainly a mathematical phenomenon. However, several recent publications (e.g., Becks et al, 2005, Nature Letters; Graham et al. 2007, Int. Soc Microb. Eco. J.; Beninca et al., 2008, Nature Letters; Saleh, 2011, IJBAS) have brought together, using experimental studies and relevant mathematics, a breakthrough discovery that deterministic chaos is present in relatively simple biochemical systems. Two of us (Faybishenko and Molz, 2013, Procedia Environ. Sci)) have numerically analyzed a mathematical model of rhizosphere dynamics (Kravchenko et al., 2004, Microbiology) and detected patterns of nonlinear dynamical interactions supporting evidence of synchronized synergetic oscillations of microbial populations, carbon and oxygen concentrations driven by root exudation into a fully mixed system. In this study, we have extended the application of the Kot et al. model to investigate a spatially-dependent biofilm system. We will present the results of numerical simulations obtained using COMSOL Multi-Physics software, which we used to determine the nature of the

  18. Critical CuI buffer layer surface density for organic molecular crystal orientation change

    SciTech Connect

    Ahn, Kwangseok; Kim, Jong Beom; Lee, Dong Ryeol; Kim, Hyo Jung; Lee, Hyun Hwi

    2015-01-21

    We have determined the critical surface density of the CuI buffer layer inserted to change the preferred orientation of copper phthalocyanine (CuPc) crystals grown on the buffer layer. X-ray reflectivity measurements were performed to obtain the density profiles of the buffer layers and out-of-plane and 2D grazing-incidence X-ray diffraction measurements were performed to determine the preferred orientations of the molecular crystals. Remarkably, it was found that the preferred orientation of the CuPc film is completely changed from edge-on (1 0 0) to face-on (1 1 −2) by a CuI buffer layer with a very low surface density, so low that a large proportion of the substrate surface is bare.

  19. Dynamical processes of transfer at the sea surface

    NASA Astrophysics Data System (ADS)

    Thorpe, S. A.

    This review describes the dynamical processes of transport from, and immediately below, the sea surface, particularly those which involve convergence and the separation of flow, and which result in the renewal of surface water at horizontal scales ranging from millimeters to hundreds of meters. Turbulence at or near the sea surface derives from several processes - breaking waves and the bubbles they may produce, precipitation and spray, Langmuir circulation and thermal convection, and turbulence which is internally generated by shear. Interest in the subject derives from the requirements to predict air-sea fluxes of heat, momentum and gases, to develop climate models, to interpret satellite images of the sea surface, including those of ship wakes, and to predict upper ocean structure, including mixing layer depth, in models of phytoplankton blooms and acoustic propagation. The general effect of subsurface turbulence on the sea surface, and the effects of surfactants, is described, and each process is discussed in turn. Laboratory experiments and theoretical studies have contributed particularly to the understanding of the interaction of vortices and turbulence with the surface and to the consequences of breaking waves. They point to the development of instability in the flow ahead of steep waves carrying parasitic capillary waves, which may contribute to the onset of flow separation on the leading face of the waves and the development of a rotor, or ‘roller’, below the wave crest, shown most clearly in the pattern of streamlines in a frame of reference moving forward with the wave. The conditions near the flow separation line on the wave surface ahead of the rotor may be similar to those produced by vortices approaching a free surface. Detailed observation of breaking waves at sea is lacking, but some progress has been made using acoustics to detect the clouds of subsurface bubbles formed by the larger breakers and the depth to which they penetrate. The

  20. Dynamic critical behavior of the Landau-Peierls fluctuations: Scaling form of the dynamic density autocorrelation function for smectic-A films

    NASA Astrophysics Data System (ADS)

    Poniewierski, A.; Hołyst, Robert; Price, A. C.; Sorensen, L. B.

    1999-03-01

    In this paper, we study the dynamic density autocorrelation function G(r,t) for smectic-A films in the layer sliding geometry. We first postulate a scaling form for G, and then we show that our postulated scaling form holds by comparing the scaling predictions with detailed numerical calculations. We find some deviations from the scaling form only for very thin films. For thick films, we find a region of a bulklike behavior, where the dynamics is characterized by the same static critical exponent η, which was originally introduced by Caillé [C. R. Acad. Sci. Ser. B 274, 891 (1972)]. In the limit of very large distance perpendicular to the layer normal, or in the limit of very long time, we find that the decay of G is governed by the surface exponent χ=kBTq2z/(4πγ), where γ is the surface tension and the wave-vector component qz satisfies the Bragg condition. We also find an intermediate perpendicular distance regime in which the decay of G is governed by the time-dependent exponent χexp(-t/τ0), where the relaxation time is given by τ0=η3(Ld)/(2γ), where η3 is the layer sliding viscosity, and Ld is the film thickness.

  1. A Molecular Dynamics Simulation of the Density Fluctuation in the Diatomic Fluids around the Critical Points

    NASA Astrophysics Data System (ADS)

    Ikawa, Shohei; Tokumasu, Takashi; Tsuboi, Nobuyuki; Tsuda, Shinichi

    2014-03-01

    In this study, we investigated the principle of corresponding state on the density fluctuation around the critical points of non-polar diatomic fluids. We performed the Molecular Dynamics (MD) simulation for the extraction of the fluctuation structure around the critical points of 2-Center-Lennard-Jones (2CLJ) fluids, which have anisotropy depending on the molecular elongations. We estimated the fluctuation structure by two methods. One is the evaluation of the dispersion of the number of molecules at a certain domain, and the other is the calculation of static structure factor. As a result, in 2CLJ fluids that have shorter molecular elongations comparatively, the principle of corresponding state is satisfied because of the small differences in the fluctuation structure extracted in the present two methods. In addition, paying attention to the time variation of the density fluctuation, we confirmed that the characteristic frequency of the fluctuation is clearly lower around the critical point compared with the other conditions. Hereafter, we are going to calculate a dynamic structure factor, further investigating the principle of corresponding state of density fluctuation.

  2. Dynamic Corneal Surface Mapping with Electronic Speckle Pattern Interferometry

    NASA Astrophysics Data System (ADS)

    Iqbal, S.; Gualini, M. M. S.

    2013-06-01

    In view of the fast advancement in ophthalmic technology and corneal surgery, there is a strong need for the comprehensive mapping and characterization techniques for corneal surface. Optical methods with precision non-contact approaches have been found to be very useful for such bio measurements. Along with the normal mapping approaches, elasticity of corneal surface has an important role in its characterization and needs to be appropriately measured or estimated for broader diagnostics and better prospective surgical results, as it has important role in the post-op corneal surface reconstruction process. Use of normal corneal topographic devices is insufficient for any intricate analysis since these devices operate at relatively moderate resolution. In the given experiment, Pulsed Electronic Speckle Pattern Interferometry has been utilized along with an excitation mechanism to measure the dynamic response of the sample cornea. A Pulsed ESPI device has been chosen for the study because of its micron-level resolution and other advantages in real-time deformation analysis. A bovine cornea has been used as a sample in the subject experiment. The dynamic response has been taken on a chart recorder and it is observed that it does show a marked deformation at a specific excitation frequency, which may be taken as a characteristic elasticity parameter for the surface of that corneal sample. It was seen that outside resonance conditions the bovine cornea was not that much deformed. Through this study, the resonance frequency and the corresponding corneal deformations are mapped and plotted in real time. In these experiments, data was acquired and processed by FRAMES plus computer analysis system. With some analysis of the results, this technique can help us to refine a more detailed corneal surface mathematical model and some preliminary work was done on this. Such modelling enhancements may be useful for finer ablative surgery planning. After further experimentation

  3. Rupture of a biomembrane under dynamic surface tension

    NASA Astrophysics Data System (ADS)

    Bicout, D. J.; Kats, E.

    2012-03-01

    How long will a fluid membrane vesicle stressed with a steady ramp of micropipette last before rupture? Or conversely, how high should the surface tension be to rupture such a membrane? To answer these challenging questions we developed a theoretical framework that allows for the description and reproduction of dynamic tension spectroscopy (DTS) observations. The kinetics of the membrane rupture under ramps of surface tension is described as a succession of an initial pore formation followed by the Brownian process of the pore radius crossing the time-dependent energy barrier. We present the formalism and a derive (formal) analytical expression of the survival probability describing the fate of the membrane under DTS conditions. Using numerical simulations for the membrane prepared in an initial state with a given distribution of times for pore nucleation, we study the membrane lifetime (or inverse of rupture rate) and distribution of membrane surface tension at rupture as a function of membrane characteristics like pore nucleation rate, the energy barrier to failure, and tension loading rate. It is found that simulations reproduce the main features of DTS experiments, particularly the pore nucleation and pore-size diffusion-controlled limits of membrane rupture dynamics. This approach can be adapted and applied to processes of permeation and pore opening in membranes (electroporation, membrane disruption by antimicrobial peptides, vesicle fusion).

  4. Droplets impact on textured surfaces: Mesoscopic simulation of spreading dynamics

    NASA Astrophysics Data System (ADS)

    Wang, Yuxiang; Chen, Shuo

    2015-02-01

    Superhydrophobic surfaces have attracted much attention due to their excellent water-repellent property. In the present study, droplets in the ideal Cassie state were focused on, and a particle-based numerical method, many-body dissipative particle dynamics, was employed to explore the mechanism of droplets impact on textured surfaces. A solid-fluid interaction with three linear weight functions was used to generate different wettability and a simple but efficient method was introduced to compute the contact angle. The simulated results show that the static contact angle is in good agreement with the Cassie-Baxter formula for smaller ∅S and Fa, but more deviation will be produced for larger ∅S and Fa, and it is related to the fact that the Cassie-Baxter theory does not consider the contact angle hysteresis effect in their formula. Furthermore, high impact velocity can induce large contact angle hysteresis on textured surfaces with larger ∅S and Fa. The typical time-based evolutions of the spreading diameter were simulated, and they were analyzed from an energy transformation viewpoint. These results also show that the dynamical properties of droplet, such as rebounding or pinning, contact time and maximum spreading diameters, largely depend on the comprehensive effects of the material wettability, fraction of the pillars and impact velocities of the droplets.

  5. Sliding bubble dynamics and the effects on surface heat transfer

    NASA Astrophysics Data System (ADS)

    Donnelly, B.; Robinson, A. J.; Delauré, Y. M. C.; Murray, D. B.

    2012-11-01

    An investigation into the effects of a single sliding air bubble on heat transfer from a submerged, inclined surface has been undertaken. Existing literature has shown that both vapour and gas bubbles can increase heat transfer rates from adjacent heated surfaces. However, the mechanisms involved are complex and dynamic and in some cases poorly understood. The present study utilises high speed, high resolution, infrared thermography and video photography to measure two dimensional surface heat transfer and three dimensional bubble position and shape. This provides a unique insight into the complex interactions at the heated surface. Bubbles of volume 0.05, 0.1, 0.2 and 0.4 ml were released onto a surface inclined at 30 degrees to horizontal. Results confirmed that sliding bubbles can enhance heat transfer rates up to a factor of 9 and further insight was gained about the mechanisms behind this phenomenon. The enhancement effects were observed over large areas and persisted for a long duration with the bubble exhibiting complex shape and path oscillations. It is believed that the periodic wake structure present behind the sliding bubble affects the bubble motion and is responsible for the heat transfer effects observed. The nature of this wake is proposed to be that of a chain of horseshoe vortices.

  6. Unusual wetting dynamics of aqueous surfactant solutions on polymer surfaces.

    PubMed

    Dutschk, Victoria; Sabbatovskiy, Konstantin G; Stolz, Martin; Grundke, Karina; Rudoy, Victor M

    2003-11-15

    Static and dynamic contact angles of aqueous solutions of three surfactants--anionic sodium dodecyl sulfate (SDS), cationic dodecyltrimethylammonium bromide (DTAB), and nonionic pentaethylene glycol monododecyl ether (C(12)E(5))--were measured in the pre- and micellar concentration ranges on polymer surfaces of different surface free energy. The influence of the degree of substrate hydrophobicity, concentration of the solution, and ionic/nonionic character of surfactant on the drop spreading was investigated. Evaporation losses due to relatively low humidity during measurements were taken into account as well. It was shown that, in contrast to the highly hydrophobic surfaces, contact angles for ionic surfactant solutions on the moderately hydrophobic surfaces strongly depend on time. As far as the nonionic surfactant is considered, it spreads well over all the hydrophobic polymer surfaces used. Moreover, the results obtained indicate that spreading (if it occurs) in the long-time regime is controlled not only by the diffusive transport of surfactant to the expanding liquid-vapor interface. Obviously, another process involving adsorption at the expanding solid-liquid interface (near the three-phase contact line), which goes more slowly than diffusion, has to be active. PMID:14583223

  7. End-to-surface reaction dynamics of a single surface-attached DNA or polypeptide.

    PubMed

    Cheng, Ryan R; Makarov, Dmitrii E

    2010-03-11

    The dynamics of surface-attached polymers play a key role in the operation of a number of biological sensors, yet its current understanding is rather limited. Here we use computer simulations to study the dynamics of a reaction between the free end of a polymer chain and a surface, to which its other end has been attached. We consider two limiting cases, the diffusion-controlled limit, where the reaction is accomplished whenever the free chain end diffuses to within a specified distance from the surface, and the reaction-controlled limit, where slow, intrinsic reaction kinetics rather than diffusion of the chain is rate limiting. In the diffusion-controlled limit, we find that the overall rate scales as N(-b), where N is the number of monomers in the chain and b approximately = 2.2 for excluded volume chains. This value of the scaling exponent b is close to that derived from a simple approximate theory treating the dynamics of the chain end relative to the surface as one-dimensional diffusion in an effective potential. In the reaction-controlled limit, the value of the scaling exponent b is close to 1. We compare our findings with those for the related (and better studied) problem of end-to-end reactions within an unconstrained polymer chain and discuss their implications for electrochemical DNA sensors. PMID:20151703

  8. A unique Critical State two-surface hyperplasticity model for fine-grained particulate media

    NASA Astrophysics Data System (ADS)

    Coombs, W. M.; Crouch, R. S.; Augarde, C. E.

    2013-01-01

    Even mild compression can cause re-arrangement of the internal structure of clay-like geomaterials, whereby clusters of particles rotate and collapse as face-to-face contacts between the constituent mineral platelets increase at the expense of edge-to-face (or edge-to-edge) contacts. The collective action of local particle re-orientation ultimately leads to path-independent isochoric macroscopic deformation under continuous shearing. This asymptotic condition is the governing feature of Critical State elasto-plasticity models. Unlike earlier formulations, the two-surface anisotropic model proposed herein is able to reproduce a unique isotropic Critical State stress envelope which agrees well with test data. Material point predictions are compared against triaxial experimental results and five other existing constitutive models. The hyperplastic formulation is seen to offer a significantly improved descriptor of the anisotropic behaviour of fine-grained particulate materials.

  9. Oscillating line source in a shear flow with a free surface: critical layer-like contributions

    NASA Astrophysics Data System (ADS)

    Ellingsen, Simen Å.; Tyvand, Peder A.

    2016-07-01

    The linearized water-wave radiation problem for an oscillating submerged line source in an inviscid shear flow with a free surface is investigated analytically at finite, constant depth in the presence of a shear flow varying linearly with depth. The surface velocity is taken to be zero relative to the oscillating source, so that Doppler effects are absent. The radiated wave out from the source is calculated based on Euler's equation of motion with the appropriate boundary and radiation conditions, and differs substantially from the solution obtained by assuming potential flow. To wit, an additional wave is found in the downstream direction in addition to the previously known dispersive wave solutions; this wave is non-dispersive and we show how it is the surface manifestation of a critical layer-like flow generated by the combination of shear and mass flux at the source, passively advected with the flow. As seen from a system moving at the fluid velocity at the source's depth, streamlines form closed curves in a manner similar to Kelvin's cat's eye vortices. A resonant frequency exists at which the critical wave resonates with the downstream propagating wave, resulting in a downstream wave pattern diverging linearly in amplitude away from the source.

  10. Adaptive integral dynamic surface control of a hypersonic flight vehicle

    NASA Astrophysics Data System (ADS)

    Aslam Butt, Waseem; Yan, Lin; Amezquita S., Kendrick

    2015-07-01

    In this article, non-linear adaptive dynamic surface air speed and flight path angle control designs are presented for the longitudinal dynamics of a flexible hypersonic flight vehicle. The tracking performance of the control design is enhanced by introducing a novel integral term that caters to avoiding a large initial control signal. To ensure feasibility, the design scheme incorporates magnitude and rate constraints on the actuator commands. The uncertain non-linear functions are approximated by an efficient use of the neural networks to reduce the computational load. A detailed stability analysis shows that all closed-loop signals are uniformly ultimately bounded and the ? tracking performance is guaranteed. The robustness of the design scheme is verified through numerical simulations of the flexible flight vehicle model.

  11. Identifying critical differentiation state of MCF-7 cells for breast cancer by dynamical network biomarkers.

    PubMed

    Chen, Pei; Liu, Rui; Chen, Luonan; Aihara, Kazuyuki

    2015-01-01

    Identifying the pre-transition state just before a critical transition during a complex biological process is a challenging task, because the state of the system may show neither apparent changes nor clear phenomena before this critical transition during the biological process. By exploring rich correlation information provided by high-throughput data, the dynamical network biomarker (DNB) can identify the pre-transition state. In this work, we apply DNB to detect an early-warning signal of breast cancer on the basis of gene expression data of MCF-7 cell differentiation. We find a number of the related modules and pathways in the samples, which can be used not only as the biomarkers of cancer cells but also as the drug targets. Both functional and pathway enrichment analyses validate the results. PMID:26284108

  12. Critical temperature enhancement of topological superconductors: A dynamical mean-field study

    NASA Astrophysics Data System (ADS)

    Nagai, Yuki; Hoshino, Shintaro; Ota, Yukihiro

    2016-06-01

    We show that a critical temperature Tc for spin-singlet two-dimensional superconductivity is enhanced by a cooperation between the Zeeman magnetic field and the Rashba spin-orbit coupling, where a superconductivity becomes topologically nontrivial below Tc. The dynamical mean-field theory with the segment-based hybridization-expansion continuous-time quantum Monte Carlo impurity solver is used for accurately evaluating a critical temperature, without any fermion sign problem. A strong-coupling approach shows that spin-flip-driven local pair hopping leads to part of this enhancement, especially effects of the magnetic field. We propose physical settings suitable for verifying the present calculations, a one-atom-layer system on Si(111) and ionic-liquid-based electric double-layer transistors.

  13. Classical dynamics of the Abelian Higgs model from the critical point and beyond

    NASA Astrophysics Data System (ADS)

    Katsimiga, G. C.; Diakonos, F. K.; Maintas, X. N.

    2015-09-01

    We present two different families of solutions of the U(1)-Higgs model in a (1 + 1) dimensional setting leading to a localization of the gauge field. First we consider a uniform background (the usual vacuum), which corresponds to the fully higgsed-superconducting phase. Then we study the case of a non-uniform background in the form of a domain wall which could be relevantly close to the critical point of the associated spontaneous symmetry breaking. For both cases we obtain approximate analytical nodeless and nodal solutions for the gauge field resulting as bound states of an effective Pöschl-Teller potential created by the scalar field. The two scenaria differ only in the scale of the characteristic localization length. Numerical simulations confirm the validity of the obtained analytical solutions. Additionally we demonstrate how a kink may be used as a mediator driving the dynamics from the critical point and beyond.

  14. Quantum critical dynamics of a magnetic impurity in a semiconducting host

    NASA Astrophysics Data System (ADS)

    Dasari, Nagamalleswararao; Acharya, Swagata; Taraphder, A.; Moreno, Juana; Jarrell, Mark; Vidhyadhiraja, N. S.; N. S. Vidhyadhiraja Collaboration, Prof.; Mark Jarrell Collaboration, Prof.; A. Taraphder Collaboration, Prof.

    We have investigated the finite temperature dynamics of the singlet to doublet continuous quantum phase transition in the gapped Anderson impurity model using hybridization expansion continuous time quantum Monte Carlo. Using the self-energy and the longitudinal static susceptibility, we obtain a phase diagram in the temperature-gap plane. The separatrix between the low-temperature local moment phase and the high temperature generalized Fermi liquid phase is shown to be the lower bound of the critical scaling region of the zero gap interacting quantum critical point. We have computed the nuclear magnetic spin-lattice relaxation rate, the Knight shift, and the Korringa ratio, which show strong deviations for any non-zero gap from the corresponding quantities in the gapless Kondo screened impurity case. This work is supported by NSF DMR-1237565 and NSF EPSCoR Cooperative Agreement EPS-1003897 with additional support from the Louisiana Board of Regents, and by CSIR and DST, India.

  15. Moment ratios and dynamic critical behavior of a reactive system with several absorbing configurations.

    PubMed

    de Andrade, M F; Figueiredo, W

    2011-03-01

    We determine the critical behavior of a reactive model with many absorbing configurations. Monomers A and B land on the sites of a linear lattice and can react depending on the state of their nearest-neighbor sites. The probability of a reaction depends on temperature of the catalyst as well as on the energy coupling between pairs of nearest-neighbor monomers. We employ Monte Carlo simulations to calculate the moments of the order parameter of the model as a function of temperature. Some ratios between pairs of moments are independent of temperature and are in the same universality class of the contact process. We also find the dynamical critical exponents of the model and we show that they are in the directed percolation universality class whatever the values of temperature. PMID:21517455

  16. Critical heat flux maxima resulting from the controlled morphology of nanoporous hydrophilic surface layers

    NASA Astrophysics Data System (ADS)

    Tetreault-Friend, Melanie; Azizian, Reza; Bucci, Matteo; McKrell, Thomas; Buongiorno, Jacopo; Rubner, Michael; Cohen, Robert

    2016-06-01

    Porous hydrophilic surfaces have been shown to enhance the critical heat flux (CHF) in boiling heat transfer. In this work, the separate effects of pore size and porous layer thickness on the CHF of saturated water at atmospheric pressure were experimentally investigated using carefully engineered surfaces. It was shown that, for a fixed pore diameter (˜20 nm), there is an optimum layer thickness (˜2 μm), for which the CHF value is maximum, corresponding to ˜115% enhancement over the value for uncoated surfaces. Similarly, a maximum CHF value (˜100% above the uncoated surface CHF) was observed while changing the pore size at a constant layer thickness (˜1 μm). To explain these CHF maxima, we propose a mechanistic model that can capture the effect of pore size and pore thickness on CHF. The good agreement found between the model and experimental data supports the hypothesis that CHF is governed by the competition between capillary wicking, viscous pressure drop and evaporation, as well as conduction heat transfer within the porous layer. The model can be used to guide the development of engineered surfaces with superior boiling performance.

  17. Surface dating of dynamic landforms: young boulders on aging moraines.

    PubMed

    Hallet, B; Putkonen, J

    1994-08-12

    The dating of landforms is crucial to understanding the evolution, history, and stability of landscapes. Cosmogenic isotope analysis has recently been used to determine quantitative exposure ages for previously undatable landform surfaces. A pioneering application of this technique to date moraines illustrated its considerable potential but suggested a chronology partially inconsistent with existing geological data. Consideration of the dynamic nature of landforms and of the ever-present processes of erosion, deposition, and weathering leads to a resolution of this inconsistency and, more generally, offers guidance for realistic interpretation of exposure ages. PMID:17782145

  18. Structure and Dynamics of Octamethylcyclotetrasiloxane Confined between Mica Surfaces.

    PubMed

    Vadhana, V; Ayappa, K G

    2016-03-24

    Using a molecular model for octamethylcyclotetrasiloxane (OMCTS), molecular dynamics simulations are carried out to probe the phase state of OMCTS confined between two mica surfaces in equilibrium with a reservoir. Molecular dynamics simulations are carried out for elevations ranging from 5 to 35 K above the melting point for the OMCTS model used in this study. The Helmholtz free energy is computed for a specific confinement using the two-phase thermodynamic (2PT) method. Analysis of the in-plane pair correlation functions did not reveal signatures of freezing even under an extreme confinement of two layers. OMCTS is found to orient with a wide distribution of orientations with respect to the mica surface, with a distinct preference for the surface parallel configuration in the contact layers. The self-intermediate scattering function is found to decay with increasing relaxation times as the surface separation is decreased, and the two-step relaxation in the scattering function, a signature of glassy dynamics, distinctly evolves as the temperature is lowered. However, even at 5 K above the melting point, we did not observe a freezing transition and the self-intermediate scattering functions relax within 200 ps for the seven-layered confined system. The self-diffusivity and relaxation times obtained from the Kohlrausch-Williams-Watts stretched exponential fits to the late α-relaxation exhibit power law scalings with the packing fraction as predicted by mode coupling theory. A distinct discontinuity in the Helmholtz free energy, potential energy, and a sharp change in the local bond order parameter, Q4, was observed at 230 K for a five-layered system upon cooling, indicative of a first-order transition. A freezing point depression of about 30 K was observed for this five-layered confined system, and at the lower temperatures, contact layers were found to be disordered with long-range order present only in the inner layers. These dynamical signatures indicate that

  19. Modeling the Self-organized Critical Behavior of the Plasma Sheet Reconnection Dynamics

    NASA Technical Reports Server (NTRS)

    Klimas, Alex; Uritsky, Vadim; Baker, Daniel

    2006-01-01

    Analyses of Polar UVI auroral image data reviewed in our other presentation at this meeting (V. Uritsky, A. Klimas) show that bright night-side high-latitude UV emissions exhibit so many of the key properties of systems in self-organized criticality (SOC) that an alternate interpretation has become virtually impossible. It is now necessary to find and model the source of this behavior. We note that the most common models of self-organized criticality are numerical sandpiles. These are, at root, models that govern the transport of some quantity from a region where it is loaded to another where it is unloaded. Transport is enabled by the excitation of a local threshold instability; it is intermittent and bursty, and it exhibits a number of scale-free statistical properties. Searching for a system in the magnetosphere that is analogous and that, in addition, is known to produce auroral signatures, we focus on the reconnection dynamics of the plasma sheet. In our previous work, a driven reconnection model has been constructed and has been under study. The transport of electromagnetic (primarily magnetic) energy carried by the Poynting flux into the reconnection region of the model has been examined. All of the analysis techniques, and more, that have been applied to the auroral image data have also been applied to this Poynting flux. Here, we report new results showing that this model also exhibits so many of the key properties of systems in self-organized criticality that an alternate interpretation is implausible. Further, we find a strong correlation between these key properties of the model and those of the auroral UV emissions. We suggest that, in general, the driven reconnection model is an important step toward a realistic plasma physical model of self-organized criticality and we conclude, more specifically, that it is also a step in the right direction toward modeling the multiscale reconnection dynamics of the magnetotail.

  20. Modeling the Self-organized Critical Behavior of Earth's Plasma Sheet Reconnection Dynamics

    NASA Technical Reports Server (NTRS)

    Klimas, Alexander J.

    2006-01-01

    Analyses of Polar UVI auroral image data show that bright night-side high-latitude W emissions exhibit so many of the key properties of systems in self-organized criticality that an alternate interpretation has become virtually impossible. These analyses will be reviewed. It is now necessary to find and model the source of this behavior. We note that the most common models of self-organized criticality are numerical sandpiles. These are, at root, models that govern the transport of some quantity from a region where it is loaded to another where it is unloaded. Transport is enabled by the excitation of a local threshold instability; it is intermittent and bursty, and it exhibits a number of scale-free statistical properties. Searching for a system in the magnetosphere that is analogous and that, in addition, is known to produce auroral signatures, we focus on the reconnection dynamics of the magnetotail plasma sheet. In our previous work, a driven reconnection model has been constructed and has been under study. The transport of electromagnetic (primarily magnetic) energy carried by the Poynting flux into the reconnection region of the model has been examined. All of the analysis techniques (and more) that have been applied to the auroral image data have also been applied to this Poynting flux. New results will be presented showing that this model also exhibits so many of the key properties of systems in self-organized criticality that an alternate interpretation is implausible. A strong correlation between these key properties of the model and those of the auroral UV emissions will be demonstrated. We suggest that, in general, the driven reconnection model is an important step toward a realistic plasma physical model of self-organized criticality and we conclude, more specifically, that it is also a step in the right direction toward modeling the multiscale reconnection dynamics of the magnetotail.

  1. Scaled Correlations of Critical Points of Random Sections on Riemann Surfaces

    NASA Astrophysics Data System (ADS)

    Baber, John

    2012-08-01

    In this paper we prove that as N goes to infinity, the scaling limit of the correlation between critical points z 1 and z 2 of random holomorphic sections of the N-th power of a positive line bundle over a compact Riemann surface tends to 2/(3 π 2) for small sqrt{N}|z1-nobreak z2|. The scaling limit is directly calculated using a general form of the Kac-Rice formula and formulas and theorems of Pavel Bleher, Bernard Shiffman, and Steve Zelditch.

  2. A Modeling substorm Dynamics of the Magnetosphere Using Self-Organized Criticality Approach

    NASA Astrophysics Data System (ADS)

    Bolzan, Mauricio; Rosa, Reinaldo

    2016-07-01

    Responses of Earth magnetic field during substorms exhibits a number of characteristics features such as the power-law spectra of fluctuations on different scales and signatures of low effective dimensions. Due the magnetosphere are constantly out-equilibrium their behavior is similar to real sandpiles during substorms, features of self-organized criticality (SOC) systems. Thus, in this work we presented a simple mathematical model to AE-index based on self-organizing sandpile mentioned by Uritsky and Pudovkin (1998), but we input the dissipation process inside the model. The statistical and multifractal tools to characterization of dynamical processes was used.

  3. Surface-Specific Laser Matter Interactions and Dynamics

    SciTech Connect

    Joly, Alan G.; Beck, Kenneth M.; Hess, Wayne P.

    2010-10-08

    Neutral magnesium atom desorption is induced using infrared and visible femtosecond laser pulses at energies well below the excitation threshold of the bulk material. We find that infrared femtosecond laser excitation of MgO nanocrystalline samples desorbs neutral Mg-atoms with hyperthermal kinetic energies ranging from 0.1 to 0.6 eV, while visible femtosecond excitation desorbs neutral Mg-atoms with thermal kinetic energies ranging from 0.01 to 0.1 eV. The hyperthermal kinetic energy distribution is similar to the distribution observed previously under nanosecond laser excitation in the ultraviolet. The hyperthermal kinetic energy distribution supports the contention that emission is induced predominantly by electron trapping at Mg corner surface sites. The results demonstrate that femtosecond photon pulses can serve as a powerful tool for probing desorption dynamics at surfaces.

  4. Surface dynamics of voltage-gated ion channels.

    PubMed

    Heine, Martin; Ciuraszkiewicz, Anna; Voigt, Andreas; Heck, Jennifer; Bikbaev, Arthur

    2016-07-01

    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

  5. Asymmetric dynamics and critical behavior in the Bak-Sneppen model

    NASA Astrophysics Data System (ADS)

    Garcia, Guilherme J. M.; Dickman, Ronald

    2004-11-01

    We investigate, using mean-field theory and simulation, the effect of asymmetry on the critical behavior and probability density of Bak-Sneppen models. Two kinds of anisotropy are investigated: (i) different numbers of sites to the left and right of the central (minimum) site are updated and (ii) sites to the left and right of the central site are renewed in different ways. Of particular interest is the crossover from symmetric to asymmetric scaling for weakly asymmetric dynamics, and the collapse of data with different numbers of updated sites but the same degree of asymmetry. All non-symmetric rules studied fall, independent of the degree of asymmetry, in the same universality class. Conversely, symmetric variants reproduce the exponents of the original model. Our results confirm the existence of two symmetry-based universality classes for extremal dynamics.

  6. Empirical signatures of quantum phase transitions and universal properties of critical point descriptions and dynamical symmetries

    SciTech Connect

    Casten, R. F.; Bonatsos, Dennis; McCutchan, E. A.

    2009-01-28

    Recently, a new signature for quantum phase transitional regions has been discussed. This signature, based on degeneracies of yrast and intrinsic excitations, can distinguish first and second order phase transitions, and is valid not only at or near the analytic critical points described by X(5) and E(5), but along the phase transitional line connecting them as well. In addition, a study of a number of recent analytic solutions to the Bohr Hamiltonian and of the dynamical symmetries of the IBA Hamiltonian has revealed a set of extremely simple and general analytic formulas that describe the energies of 0{sup +} states. For the case of flat-bottomed geometrical potentials, the formula depends solely on the number of relevant dimensions. For the IBA (large boson number limit) a single formula describes all three dynamical symmetries.

  7. Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Heaps, Charles W.; Mazziotti, David A.

    2016-04-01

    Trajectory-based Gaussian basis sets have been tremendously successful in describing high-dimensional quantum molecular dynamics. In this paper, we introduce a pseudospectral Gaussian-based method that achieves accurate quantum dynamics using efficient, real-space sampling of the time-dependent basis set. As in other Gaussian basis methods, we begin with a basis set expansion using time-dependent Gaussian basis functions guided by classical mechanics. Unlike other Gaussian methods but characteristic of the pseudospectral and collocation methods, the basis set is tested with N Dirac delta functions, where N is the number of basis functions, rather than using the basis function as test functions. As a result, the integration for matrix elements is reduced to function evaluation. Pseudospectral Gaussian dynamics only requires O ( N ) potential energy calculations, in contrast to O ( N 2 ) evaluations in a variational calculation. The classical trajectories allow small basis sets to sample high-dimensional potentials. Applications are made to diatomic oscillations in a Morse potential and a generalized version of the Henon-Heiles potential in two, four, and six dimensions. Comparisons are drawn to full analytical evaluation of potential energy integrals (variational) and the bra-ket averaged Taylor (BAT) expansion, an O ( N ) approximation used in Gaussian-based dynamics. In all cases, the pseudospectral Gaussian method is competitive with full variational calculations that require a global, analytical, and integrable potential energy surface. Additionally, the BAT breaks down when quantum mechanical coherence is particularly strong (i.e., barrier reflection in the Morse oscillator). The ability to obtain variational accuracy using only the potential energy at discrete points makes the pseudospectral Gaussian method a promising avenue for on-the-fly dynamics, where electronic structure calculations become computationally significant.

  8. Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces.

    PubMed

    Heaps, Charles W; Mazziotti, David A

    2016-04-28

    Trajectory-based Gaussian basis sets have been tremendously successful in describing high-dimensional quantum molecular dynamics. In this paper, we introduce a pseudospectral Gaussian-based method that achieves accurate quantum dynamics using efficient, real-space sampling of the time-dependent basis set. As in other Gaussian basis methods, we begin with a basis set expansion using time-dependent Gaussian basis functions guided by classical mechanics. Unlike other Gaussian methods but characteristic of the pseudospectral and collocation methods, the basis set is tested with N Dirac delta functions, where N is the number of basis functions, rather than using the basis function as test functions. As a result, the integration for matrix elements is reduced to function evaluation. Pseudospectral Gaussian dynamics only requires O(N) potential energy calculations, in contrast to O(N(2)) evaluations in a variational calculation. The classical trajectories allow small basis sets to sample high-dimensional potentials. Applications are made to diatomic oscillations in a Morse potential and a generalized version of the Henon-Heiles potential in two, four, and six dimensions. Comparisons are drawn to full analytical evaluation of potential energy integrals (variational) and the bra-ket averaged Taylor (BAT) expansion, an O(N) approximation used in Gaussian-based dynamics. In all cases, the pseudospectral Gaussian method is competitive with full variational calculations that require a global, analytical, and integrable potential energy surface. Additionally, the BAT breaks down when quantum mechanical coherence is particularly strong (i.e., barrier reflection in the Morse oscillator). The ability to obtain variational accuracy using only the potential energy at discrete points makes the pseudospectral Gaussian method a promising avenue for on-the-fly dynamics, where electronic structure calculations become computationally significant. PMID:27131532

  9. Dynamic growth of slip surfaces in catastrophic landslides

    PubMed Central

    Germanovich, Leonid N.; Kim, Sihyun; Puzrin, Alexander M.

    2016-01-01

    This work considers a landslide caused by the shear band that emerges along the potential slip (rupture) surface. The material above the band slides downwards, causing the band to grow along the slope. This growth may first be stable (progressive), but eventually becomes dynamic (catastrophic). The landslide body acquires a finite velocity before it separates from the substrata. The corresponding initial-boundary value problem for a dynamic shear band is formulated within the framework of Palmer & Rice's (Proc. R. Soc. Lond. A 332, 527–548. (doi:10.1098/rspa.1973.0040)) approach, which is generalized to the dynamic case. We obtain the exact, closed-form solution for the band velocity and slip rate. This solution assesses when the slope fails owing to a limiting condition near the propagating tip of the shear band. Our results are applicable to both submarine and subaerial landslides of this type. It appears that neglecting dynamic (inertia) effects can lead to a significant underestimation of the slide size, and that the volumes of catastrophic slides can exceed the volumes of progressive slides by nearly a factor of 2. As examples, we consider the Gaviota and Humboldt slides offshore of California, and discuss landslides in normally consolidated sediments and sensitive clays. In particular, it is conceivable that Humboldt slide is unfinished and may still displace a large volume of sediments, which could generate a considerable tsunami. We show that in the case of submarine slides, the effect of water resistance on the shear band dynamics may frequently be limited during the slope failure stage. For a varying slope angle, we formulate a condition of slide cessation. PMID:26997904

  10. 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

  11. Using Surface Science to Probe Critical Interfaces in Organic and Hybrid Systems (PReSS Talk)

    SciTech Connect

    Brumback, Michael T.

    2010-03-25

    This talk will address several uses of surface science for understanding critical interfaces in energy-related devices and for materials characterization. Primary emphasis will be on photoelectron spectroscopy applied to understanding interfaces in organic photovoltaics (OPV). In organic photovoltaics, where solar-to-electric conversion efficiencies are typically low, interfacial phenomena dictate the performance of the solar cell. It is therefore important to understand the interfacial chemistry and energy level alignment at these interfaces to better optimize them for increased PV performance. UV-photoelectron spectroscopy and X-ray photoelectron spectroscopy (UPS/XPS) are ideally suited to examine these interfaces. Several examples of interfacial energy level alignments will be discussed. More general applications of surface science will also be discussed including work from a collaborative effort at the National Synchrotron Light Source where NEXAFS, imaging NEXAFS, and variable energy XPS have been used for a variety of applications.

  12. Surface Plasmon States in Inhomogeneous Media at Critical and Subcritical Metal Concentrations

    DOE PAGESBeta

    Seal, Katyayani; Genov, Dentcho A.

    2012-01-01

    Semicontinuous metal-dielectric films are composed of a wide range of metal clusters of various geometries—sizes as well as structures. This ensures that at any given wavelength of incident radiation, clusters exist in the film that will respond resonantly, akin to resonating nanoantennas, resulting in the broad optical response (absorption) that is a characteristic of semicontinuous films. The physics of the surface plasmon states that are supported by such systems is complex and can involve both localized and propagating plasmons. This chapter describes near-field experimental and numerical studies of the surface plasmon states in semicontinuous films at critical and subcritical metalmore » concentrations and evaluates the local field intensity statistics to discuss the interplay between various eigenmodes.« less

  13. Dynamical Theory of Charge Transfer Between Complex Atoms and Surfaces

    NASA Astrophysics Data System (ADS)

    Chaudhuri, Basudev; Marston, Brad

    2000-03-01

    An existing dynamical quantum many-body theory of charge transfer(A. V. Onufriev and J. B. Marston, Phys. Rev. B 53), 13340 (1996); J. Merino and J. B. Marston, Phys. Rev. B 58, 6982 (1998). describes atoms with simple s-orbitals, such as alkalis and alkaline-earths, interacting with metal surfaces. The many-body equations of motion (EOM) are developed systematically as an expansion in the number of surface particle-hole excitations. Here we generalize this theory to describe atoms with richer orbital structures, such as atomic oxygen. In the simplest version of the model, only the single-particle p_z-orbitals of the atom, the ones oriented perpendicular to the surface, participate directly in resonant charge transfer as they have the largest overlap with the metallic wavefunctions. However, as the several-electron Russell-Saunders eigenstates, labeled by total angular momenta quantum numbers J, L, and S, are built out of products of single-particle orbitals, non-trivial matrix elements must be incorporated into the many-body EOM's. Comparison to recent experimental results(A. C. Lavery, C. E. Sosolik, and B. H. Cooper, Nucl. Instrum. Meth. B 157), 42 (1999); A. C. Lavery et al. to appear in Phys. Rev. B. on the scattering of low-energy oxygen ions off Cu(001) surfaces is made.

  14. Dynamic Stereo Display And Interaction With Surfaces Of Medical Objects

    NASA Astrophysics Data System (ADS)

    Herman, Gabor T.

    1986-01-01

    Three-dimensional (3D) surface display is an alternate way of presenting to the physician information that is available in a sequence of two-dimensional CT or MRI scans. The aim is to present organs (or parts of organs) as they would appear if they were removed from the body, possibly cut open, and viewed from user-selected directions. In recent years there have been a number of papers discussing the clinical utility of this approach. In nearly all these papers the presentation of the surface consists of single images of the objects of interest. In these monoscopic images, depth perception is conveyed by the differential shading that is computed as if light were shining on the surface. This is augmented by the silhouette of the external features. Since shading is dependent on the distance from the light source and the angle of the surface to the light rays, these two effects may oppose each other, especially with perception of details in depths of cavities. In addition, the detail inside a cavity cannot be silhouetted at any viewing angle. Since many anatomical surfaces have significant information in the depths of cavities (e.g., orbits, neural foramina, cardiac cavities), the addition of stereoscopic depth perception and motion should be clinically useful. In a recent article, we presented 3D surface displays in stereo, thereby providing an important additional cue for correct 3D depth perception. Here we discuss issues of software and hardware for dynamic stereo display and for 3D interaction with the stereoscopic images.

  15. Effect of Molecular Architecture on Polymer Melt Surface Dynamics

    NASA Astrophysics Data System (ADS)

    Foster, Mark

    The dynamics of the thermally stimulated surface height fluctuations in a polymer melt dictate wetting, adhesion, and tribology at that surface. These surface fluctuations can be profoundly altered by tethering of the chains. One type of tethering is the tethering of one part of a molecule to another part of the same molecule. This tethering is found in both long chain branched polymers and in macrocycles. We have studied the surface fluctuations with X-ray Photon Correlation Spectroscopy for melts of well-defined, anionically polymerized polystyrenes of various architectures, including linear, 6 arm star, pom-pom, comb and cyclic architectures. For linear chains, the variation of surface relaxation time with in-plane scattering vector can be fit using a hydrodynamic continuum theory (HCT) of thermally stimulated capillary waves that knows nothing of the chain architecture. Assuming the theory is applicable, apparent viscosities of the films may then be inferred from the XPCS data. For unentangled linear chains, the viscosity inferred from XPCS data in this manner is the same as that measured by conventional bulk rheometry. The HCT does a reasonable job of describing the variation of relaxation time with scattering vector for long branched chains also, but only if a viscosity much larger than that of the bulk is assumed. The discrepancy between the viscosity inferred from surface relaxation times using the HCT and that derived from conventional rheometry grows larger as the bulk Tg is approached and is different for each long chain branched architecture. However, for densely branched combs and cyclic chains different behaviors are found. Acknowledgement: Thanks to NSF (CBET 0730692) and the Advanced Photon Source, supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Science, under Contract No. W-31-109-ENG-38.

  16. Dynamical Monte Carlo methods for plasma-surface reactions

    NASA Astrophysics Data System (ADS)

    Guerra, Vasco; Marinov, Daniil

    2016-08-01

    Different dynamical Monte Carlo algorithms to investigate molecule formation on surfaces are developed, evaluated and compared with the deterministic approach based on reaction-rate equations. These include a null event algorithm, the n-fold way/BKL algorithm and an ‘hybrid’ variant of the latter. NO2 formation by NO oxidation on Pyrex and O recombination on silica with the formation of O2 are taken as case studies. The influence of the grid size on the CPU calculation time and the accuracy of the results is analysed. The role of Langmuir–Hinsehlwood recombination involving two physisorbed atoms and the effect of back diffusion and its inclusion in a deterministic formulation are investigated and discussed. It is shown that dynamical Monte Carlo schemes are flexible, simple to implement, describe easily elementary processes that are not straightforward to include in deterministic simulations, can run very efficiently if appropriately chosen and give highly reliable results. Moreover, the present approach provides a relatively simple procedure to describe fully coupled surface and gas phase chemistries.

  17. Nanostructures and dynamics of macromolecules bound to attractive filler surfaces

    NASA Astrophysics Data System (ADS)

    Koga, Tad; Barkley, Deborah; Jiang, Naisheng; Endoh, Maya; Masui, Tomomi; Kishimoto, Hiroyuki; Nagao, Michihiro; Satija, Sushil; Taniguchi, Takashi

    We report in-situ nanostructures and dynamics of polybutadiene (PB) chains bound to carbon black (CB) fillers (the so-called ``bound polymer layer (BPL)'') in a good solvent. The BPL on the CB fillers were extracted by solvent leaching of a CB-filled PB compound and subsequently dispersed in deuterated toluene to label the BPL for small-angle neutron scattering and neutron spin echo techniques. Intriguingly, the results demonstrate that the BPL is composed of two regions regardless of molecular weights of PB: the inner unswollen region of ~ 0.5 nm thick and outer swollen region where the polymer chains display a parabolic profile with a diffuse tail. This two-layer formation on the filler surface is similar to that reported for polymer chains adsorbed on planar substrates from melts. In addition, the results show that the dynamics of the swollen bound chains can be explained by the so-called ``breathing mode'' and is generalized with the thickness of the swollen BPL. Furthermore, we will discuss how the breathing collective dynamics is affected by the presence of polymer chains in a matrix solution. We acknowledge the financial support from NSF Grant No. CMMI-1332499.

  18. Deterministic nature of the underlying dynamics of surface wind fluctuations

    NASA Astrophysics Data System (ADS)

    Sreelekshmi, R. C.; Asokan, K.; Satheesh Kumar, K.

    2012-10-01

    Modelling the fluctuations of the Earth's surface wind has a significant role in understanding the dynamics of atmosphere besides its impact on various fields ranging from agriculture to structural engineering. Most of the studies on the modelling and prediction of wind speed and power reported in the literature are based on statistical methods or the probabilistic distribution of the wind speed data. In this paper we investigate the suitability of a deterministic model to represent the wind speed fluctuations by employing tools of nonlinear dynamics. We have carried out a detailed nonlinear time series analysis of the daily mean wind speed data measured at Thiruvananthapuram (8.483° N,76.950° E) from 2000 to 2010. The results of the analysis strongly suggest that the underlying dynamics is deterministic, low-dimensional and chaotic suggesting the possibility of accurate short-term prediction. As most of the chaotic systems are confined to laboratories, this is another example of a naturally occurring time series showing chaotic behaviour.

  19. Surface Diffusion of Single Polymer Chain Using Molecular Dynamics SIMULATION*

    NASA Astrophysics Data System (ADS)

    Desai, Tapan; Keblinski, Pawel; Kumar, Sanat; Granick, Steve

    2004-05-01

    Results of recent experiments on polymer chains adsorbed from dilute solution at solid-liquid interface show the power scaling law dependence of the chain diffusivity, D, as a function of the degree of polymerization, N, D ˜ N^3/2. By contrast, DNA molecules bound to fluid cationic lipid bilayers follows Rouse dynamics with D ˜ N^1. We used molecular dynamics simulations to gain an understanding of these dissimilar scaling behaviors. Our model systems contain chains comprised of N monomers connected by anharmonic springs described by the finite extendible nonlinear elastic, FENE potential, embedded into a solvent of N=1 monomers. Two types of simulations we performed: (i) the chain is confined to two dimensions, (ii) the three dimensional chain in the solvent is confined between two solids plates. With randomly placed impenetrable obstacles on the surface, the diffusion of 2D chains exhibits, D ˜ N^3/2 behavior, when the chain radius of gyration, Rg, is larger than half the distance between obstacles, and D ˜ N^1 for shorter chains. In the presence of an athermal solvent, the scaling exponent is 0.75 due to hydrodynamic forces, for the two-dimensional system. We will also discuss the nature of dynamic adsorption transition and effects of hydrodynamics forces on chain diffusion for the three-dimensional simulations.

  20. Performance of Smagorinsky and dynamic models in near surface turbulence

    NASA Astrophysics Data System (ADS)

    Brasseur, James G.; Juneja, Anurag

    1997-11-01

    In LES of high-Reynolds-number wall bounded turbulence such as the atmospheric boundary layer (ABL), a viscous sublayer either does not exist or is within the first grid cell, and some integral scale motions are necessarily under-resolved at the first few grid locations. Here the subgrid terms dominate the evolution of resolved velocity and the SGS model performance becomes crucial. To develop improved closures for surface layer turbulence (under-resolved and anisotropic), we explore (a) why current SGS closures fail and (b) what needs to be fixed. We evaluate the performance of the Smagorinsky and dynamic models using DNS data from shear- and buoyancy-driven turbulence as a function of filter cutoff location. We find that the underlying assumption of good alignment between the subgrid stress and resolved strain-rate tensors is not correct in general. More importantly, the Smagorinsky model incorrectly predicts a strong preference in the direction of the SGS stress divergence vector, a spurious prediction that is directly related to the anisotropic structure of the resolved turbulence field. This, and its under-estimation of the SGS pressure gradient, are likely sources of the errors observed in LES of the ABL. Whereas the dynamic formulations do a better job predicting some SGS dynamics, the model fails when the filter cutoff is near an integral scale, and predicts unreasonable fluctuation levels-- although performance is sensitive to type of averaging. *supported by ARO grant DAAL03-92-0117.

  1. Critical Heat Flux in Pool Boiling on Metal-Graphite Composite Surfaces

    NASA Technical Reports Server (NTRS)

    Zhang, Nengli; Yang, Wen-Jei; Chao, David F.; Chao, David F. (Technical Monitor)

    2000-01-01

    A study is conducted on high heat-flux pool boiling of pentane on micro-configured composite surfaces. The boiling surfaces are copper-graphite (Cu-Gr) and aluminum-graphite (Al-Gr) composites with a fiber volume concentration of 50%. The micro-graphite fibers embedded in the matrix contribute to a substantial enhancement in boiling heat-transfer performance. Correlation equations are obtained for both the isolated and coalesced bubble regimes, utilizing a mathematical model based on a metal-graphite, two-tier configuration with the aid of experimental data. A new model to predict the critical heat flux (CHF) on the composites is proposed to explain the fundamental aspects of the boiling phenomena. Three different factors affecting the CHF are considered in the model. Two of them are expected to become the main agents driving vapor volume detachment under microgravity conditions, using the metal-graphite composite surfaces as the heating surface and using liquids with an unusual Marangoni effect as the working fluid.

  2. Persistence and Elimination of Human Norovirus in Food and on Food Contact Surfaces: A Critical Review.

    PubMed

    Cook, Nigel; Knight, Angus; Richards, Gary P

    2016-07-01

    This critical review addresses the persistence of human norovirus (NoV) in water, shellfish, and processed meats; on berries, herbs, vegetables, fruits, and salads; and on food contact surfaces. The review focuses on studies using NoV; information from studies involving only surrogates is not included. It also addresses NoV elimination or inactivation by various chemical, physical, or processing treatments. In most studies, persistence or elimination was determined by detection and quantification of the viral genome, although improved methods for determining infectivity have been proposed. NoV persisted for 60 to 728 days in water, depending on water source. It also persisted on berries, vegetables, and fruit, often showing <1-log reduction within 1 to 2 weeks. NoV was resilient on carpets, Formica, stainless steel, polyvinyl chloride, and ceramic surfaces; during shellfish depuration; and to repeated freeze-thaw cycles. Copper alloy surfaces may inactivate NoV by damaging viral capsids. Disinfection was achieved for some foods or food contact surfaces using chlorine, calcium or sodium hypochlorite, chlorine dioxide, high hydrostatic pressure, high temperatures, pH values >8.0, freeze-drying, and UV radiation. Ineffective disinfectants included hydrogen peroxide, quaternary ammonium compounds, most ethanol-based disinfectants, and antiseptics at normally used concentrations. Thorough washing of herbs and produce was effective in reducing, but not eliminating, NoV in most products. Washing hands with soap generally reduced NoV by <2 log. Recommendations for future research needs are provided. PMID:27357051

  3. Contamination of Critical Surfaces from NVR Glove Residues Via Dry Handling and Solvent Cleaning

    NASA Technical Reports Server (NTRS)

    Sovinski, Marjorie F.

    2004-01-01

    Gloves are often used to prevent the contamination of critical surfaces during handling. The type of glove chosen for use should be the glove that produces the least amount of non-volatile residue (NVR). This paper covers the analysis of polyethylene, nitrile, latex, vinyl, and polyurethane gloves using the contact transfer and gravimetric determination methods covered in the NASA GSFC work instruction Gravimetric Determination and Contact Transfer of Non-volatile Residue (NVR) in Cleanroom Glove Samples, 541-WI-5330.1.21 and in the ASTM Standard E-1731M-95, Standard Test Method for Gravimetric Determination of Non-Volatile Residue from Cleanroom Gloves. The tests performed focus on contamination of critical surfaces at the molecular level. The study found that for the most part, all of the gloves performed equally well in the contact transfer testing. However, the polyethylene gloves performed the best in the gravimetric determination testing, and therefore should be used whenever solvent contact is a possibility. The nitrile gloves may be used as a substitute for latex gloves when latex sensitivity is an issue. The use of vinyl gloves should be avoided, especially if solvent contact is a possibility. A glove database will be established by Goddard Space Flight Center (GSFC) Code 541 to compile the results from future testing of new gloves and different glove lots.

  4. Critical Dynamics under the Vlassov-Poisson Equations: Critical Exponents and Scaling of the Distribution Function near the Point of a Marginal Stability

    NASA Astrophysics Data System (ADS)

    Ivanov, Alexei V.

    2001-04-01

    Using direct integration of the Vlassov equation in configurational space, nonlinear dynamics of a model one-dimensional periodic self-gravitating system are investigated near the point of a marginal stability. The critical velocity dispersion σ2cr, corresponding to a marginal stability of the Jeans mode with the least k, is assumed as the critical point. The peak amplitude of the Jeans mode computed in a run is assumed as the order parameter. In the neighborhood of the critical point, the dynamics can be described by a set of the power laws typical for a system undergoing a second-order phase transition. For the order parameter, this is A~-θβ, where β=1.907+/-0.006 and θ=(σ2- σ2cr)/σ2cr<0. At θ=0 the response depends on the strain F1 of external drive as A~F1/δ1, where δ=1.544+/-0.002. The susceptibility χ=∂A/∂F1, F1-->0, diverges as χ~|θ|-γ+/- as θ-->+/-0, γ-=1.020+/-0.008 for θ<0, and γ+=0.995+/-0.020 for θ>0. Under this accuracy, these critical exponents satisfy the equality γ+/-=β(δ-1). For a gravitating system, its existence is a direct consequence of scaling invariance of the distribution function at |θ|<<1 i.e., f(λatt, x, λavv, λaθθ, λaA0A0, λaFF1)=λf(t, x, v, θ, A0, F1). These critical exponents indicate a wide critical area where critical phenomena may determine macroscopic dynamics. The random external drive field of a small amplitude causes anomalous growth of the marginally stable Jeans perturbation into a spatially coherent structure.

  5. Reconsideration of metal surface sputtering due to bombardment of high-energy argon ion particles: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Kammara, Kishore K.; Kumar, Rakesh; Donbosco, Ferdin S.

    2016-03-01

    Some interesting aspects of metal surface sputtering phenomenon are numerically investigated in this work using the molecular dynamics approach. Along with that, we have carried out a critical analysis of the interaction potentials typically used for modeling. Two metallic surfaces, viz., copper, Cu(100), and nickel, Ni(100), are chosen for study that are bombarded by argon ions at various energies and angles of projection. The sputtering yield is calculated by performing molecular dynamics simulations, and the same is compared with experiments and theoretical predictions wherever possible. Furthermore, other interesting parameters like the kinetic energy, velocity, and scattering angle distribution for sputtered and incident atoms are presented and discussed. Through different case studies, the present work emphasizes on the importance of interaction model used for metal surface modeling for a realistic numerical reproduction of the complex metal surface sputtering process.

  6. Criticality and spin squeezing in the rotational dynamics of a Bose-Einstein condensate on a ring lattice

    NASA Astrophysics Data System (ADS)

    Kolář, M.; Opatrný, T.; Das, Kunal K.

    2015-10-01

    We examine the dynamics of circulating modes of a Bose-Einstein condensate confined in a toroidal lattice. Nonlinearity due to interactions leads to criticality that separates oscillatory and self-trapped phases among counterpropagating modes which however share the same physical space. In the mean-field limit, the criticality is found to substantially enhance sensitivity to rotation of the system. Analysis of the quantum dynamics reveals the fluctuations near criticality are significant, which we explain using spin-squeezing formalism visualized on a Bloch sphere. We utilize the squeezing to propose a Ramsey interferometric scheme that suppresses fluctuation in the relevant quadrature sensitive to rotation.

  7. Plankton dynamics in thermally-stratified free-surface turbulence

    NASA Astrophysics Data System (ADS)

    Lovecchio, Salvatore; Soldati, Alfredo

    2015-11-01

    Thermal stratification induced by solar heating near the ocean-atmosphere interface influences the transfer fluxes of heat, momentum and chemical species across the interface. Due to thermal stratification, a region of large temperature gradients (thermocline) may form with strong consequences for the marine ecosystem. In particular, the thermocline is believed to prevent phytoplankton from reaching the well-lit surface layer, where they can grow through the process of photosynthesis. In this paper, we use a DNS-based Eulerian-Lagrangian approach to examine the role of stratification on phytoplankton dynamics in thermally-stratified free-surface turbulence. We focus on gyrotactic self-propelled phytoplankton cells, considering different stratification levels (quantified by the Richardson number) and different gyro tactic re-orientation times. We show that the modulation of turbulent fluctuations induced by stable stratification has a strong effect on the orientation and distribution of phytoplankton, possibly leading to trapping of some species within the thermocline. Specifically, we observe the appearance of a depletion layer just below the free-surface as stratification increases, accompanied by a reduction in the vertical stability of phytoplankton cells.

  8. A vibrational dynamics of molecule chain on metallic surface

    NASA Astrophysics Data System (ADS)

    Zerirgui, D.; Tigrine, R.; Bourahla, B.; Khater, A.

    2012-02-01

    We investigate the vibration properties of adsorbed nanostructure on the infinite square crystalline surface. The surface is considered as an infinite slab of one atomic layer, and the nanostructure as an isolated diatomic molecule chain on the surface of a cubic lattice which is parallel to y-axis, and takes three different positions: top, hollow and bridge. The vibrational dynamics of the structure is considered within the harmonic approximation framework. The evanescent and propagating vibrational field of the perfect lattice is determined and discussed. The presence of the molecule chain breaks down the translation symmetry in one direction and gives rise to localized states on its neighborhood. The mathematical framework of the matching method is used to analyze the localization phenomena at the nanostructure boundaries. Typical dispersion curves for modes of energies along the inhomogeneity are given with their polarizations. The fine structure of the spectrum and its origins are clearly identifiable, which gives a new insight into the localization problem. Furthermore, the existence and nature of the localized phonons like modes associated with an isolated defect are derived, and the importance of the contribution of these modes to the spectral and states densities is exhibited clearly.

  9. Aqueous Solutions on Silica Surfaces: Structure and Dynamics from Simulations

    NASA Astrophysics Data System (ADS)

    Striolo, Alberto; Argyris, Dimitrios; Tummala, Naga Rajesh

    2009-03-01

    Our group is interested in understanding the properties of aqueous electrolyte solutions at interfaces. The fundamental questions we seek to answer include: (A) how does a solid structure perturb interfacial water? (B) How far from the solid does this perturbation persist? (C) What is the rate of water reorientation and exchange in the perturbed layer? (D) What happens in the presence of simple electrolytes? To address such topics we implemented atomistic molecular dynamics simulations. Recent results for water and simple electrolytes near silicon dioxide surfaces of various degrees of hydroxylation will be presented. The data suggest the formation of a layered aqueous structure near the interface. The density profile of interfacial water seems to dictate the density profiles of aqueous solutions containing NaCl, CaCl2, CsCl, and SrCl2 near the solid surfaces. These results suggest that ion-ion and ion-water correlations are extremely important factors that should be considered when it is desired to predict the distribution of electrolytes near a charged surface. Our results will benefit a number of practical applications including water desalination, exploitation of the oil shale in the Green River Basin, nuclear waste sites remediation, and design of nanofluidic devices.

  10. Static and dynamic properties of tethered chains at adsorbing surfaces: A Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Descas, Radu; Sommer, Jens-Uwe; Blumen, Alexander

    2004-05-01

    We present extensive Monte Carlo simulations of tethered chains of length N on adsorbing surfaces, considering the dilute case in good solvents, and analyze our results using scaling arguments. We focus on the mean number M of chain contacts with the adsorbing wall, on the chain's extension (the radius of gyration) perpendicular and parallel to the adsorbing surface, on the probability distribution of the free end and on the density profile for all monomers. At the critical adsorption strength ɛc one has Mc˜Nφ, and we find (using the above results) as best candidate φ to equal 0.59. However, slight changes in the estimation of ɛc lead to large deviations in the resulting φ; this might be a possible reason for the difference in the φ values reported in the literature. We also investigate the dynamical scaling behavior at ɛc, by focusing on the end-to-end correlation function and on the correlation function of monomers adsorbed at the wall. We find that at ɛc the dynamic scaling exponent a (which describes the relaxation time of the chain as a function of N) is the same as that of free chains. Furthermore, we find that for tethered chains the modes perpendicular to the surface relax quicker than those parallel to it, which may be seen as a splitting in the relaxation spectrum.

  11. Topographies and dynamics on multidimensional potential energy surfaces

    NASA Astrophysics Data System (ADS)

    Ball, Keith Douglas

    The stochastic master equation is a valuable tool for elucidating potential energy surface (PES) details that govern structural relaxation in clusters, bulk systems, and protein folding. This work develops a comprehensive framework for studying non-equilibrium relaxation dynamics using the master equation. Since our master equations depend upon accurate partition function models for use in Rice-Ramsperger-Kassel-Marcus (RRK(M) transition state theory, this work introduces several such models employing various harmonic and anharmonic approximations and compares their predicted equilibrium population distributions with those determined from molecular dynamics. This comparison is performed for the fully-delineated surfaces (KCl)5 and Ar9 to evaluate model performance for potential surfaces with long- and short-range interactions, respectively. For each system, several models perform better than a simple harmonic approximation. While no model gives acceptable results for all minima, and optimal modeling strategies differ for (KCl)5 and Ar9, a particular one-parameter model gives the best agreement with simulation for both systems. We then construct master equations from these models and compare their isothermal relaxation predictions for (KCl)5 and Ar9 with molecular dynamics simulations. This is the first comprehensive test of the kinetic performance of partition function models of its kind. Our results show that accurate modeling of transition-state partition functions is more important for (KCl)5 than for Ar9 in reproducing simulation results, due to a marked stiffening anharmonicity in the transition-state normal modes of (KCl)5. For both systems, several models yield qualitative agreement with simulation over a large temperature range. To examine the robustness of the master equation when applied to larger systems, for which full topographical descriptions would be either impossible or infeasible, we compute relaxation predictions for Ar11 using a master equation

  12. Complex ordering in spin networks: Critical role of adaptation rate for dynamically evolving interactions

    NASA Astrophysics Data System (ADS)

    Pathak, Anand; Sinha, Sitabhra

    2015-09-01

    Many complex systems can be represented as networks of dynamical elements whose states evolve in response to interactions with neighboring elements, noise and external stimuli. The collective behavior of such systems can exhibit remarkable ordering phenomena such as chimera order corresponding to coexistence of ordered and disordered regions. Often, the interactions in such systems can also evolve over time responding to changes in the dynamical states of the elements. Link adaptation inspired by Hebbian learning, the dominant paradigm for neuronal plasticity, has been earlier shown to result in structural balance by removing any initial frustration in a system that arises through conflicting interactions. Here we show that the rate of the adaptive dynamics for the interactions is crucial in deciding the emergence of different ordering behavior (including chimera) and frustration in networks of Ising spins. In particular, we observe that small changes in the link adaptation rate about a critical value result in the system exhibiting radically different energy landscapes, viz., smooth landscape corresponding to balanced systems seen for fast learning, and rugged landscapes corresponding to frustrated systems seen for slow learning.

  13. Modeling nutrient dynamics under critical flow conditions in three tributaries of St. Louis Bay.

    PubMed

    Liu, Zhijun; Kingery, William L; Huddleston, David H; Hossain, Faisal; Chen, Wei; Hashim, Noor B; Kieffer, Janna M

    2008-05-01

    Previous research results indicated that dry weather condition has complicated impacts on nitrogen dynamics; monitored and modeling data showed both increased and decreased levels. In order to facilitate the total maximum daily loads (TMDLs) development at three tributaries of St. Louis Bay estuary, the nitrogen dynamics were investigated for two designed critical flow conditions by integrating Hydrological Simulation Program Fortran (HSPF), Environmental Fluid Dynamics Code (EFDC), and Water Quality Analysis Simulation Program (WASP). The total amount of precipitation during the dry year corresponded to a flow condition with return period of 50 years, and 10-year return period for wet year. The dry year contributed more total nitrogen (TN) loads per unit flow volume. At the upstream tributaries, the computed peak reach-averaged TN concentrations were significantly higher for dry weather simulation than wet conditions, whereas at the near-bay tributary, there were no significant differences in the peak TN concentrations. Hence, for the upstream tributaries, the nitrogen TMDL calculation should be based on dry weather condition since the decision-makers are more concerned about the worse scenario. PMID:18393072

  14. Critical role of surface roughness on colloid retention and release in porous media.

    PubMed

    Torkzaban, Saeed; Bradford, Scott A

    2016-01-01

    This paper examines the critical role of surface roughness (both nano- and micro-scale) on the processes of colloid retention and release in porous media under steady-state and transient chemical conditions. Nanoscale surface roughness (NSR) in the order of a few nanometers, which is common on natural solid surfaces, was incorporated into extended-DLVO calculations to quantify the magnitudes of interaction energy parameters (e.g. the energy barrier to attachment, ΔΦa , and detachment, ΔΦd , from a primary minimum). This information was subsequently used to explain the behavior of colloid retention and release in column and batch experiments under different ionic strength (IS) and pH conditions. Results demonstrated that the density and height of NSR significantly influenced the interaction energy parameters and consequently the extent and kinetics of colloid retention and release. In particular, values of ΔΦa and ΔΦd significantly decreased in the presence of NSR. Therefore, consistent with findings of column experiments, colloid retention in the primary minimum was predicted to occur at some specific locations on the sand surface, even at low IS conditions. However, NSR yielded a much weaker primary minimum interaction compared with that of smooth surfaces. Colloid release from primary minima upon decreasing IS and increasing pH was attributed to the impact of NSR on the values of ΔΦd . Pronounced differences in the amount of colloid retention in batch and column experiments indicated that primary minimum interactions were weak even at high IS conditions. Negligible colloid retention in batch experiments was attributed to hydrodynamic torques overcoming adhesive torques, whereas significant colloid retention in column experiments was attributed to nano- and micro-scale roughness which would dramatically alter the lever arms associated with hydrodynamic and adhesive torques. PMID:26512805

  15. 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.

  16. Molecular dynamics study of proton binding to silica surfaces

    SciTech Connect

    Rustad, J.R.; Wasserman, E.; Felmy, A.R.; Wilke, C.

    1998-02-01

    Molecular statics calculations on gas-phase and solvated clusters and on gas-phase and solvated slabs representing aqueous species and surfaces were applied to investigate acid/base reactions on silica surfaces. The gas-phase approach, which was previously applied to goethite, predicts a surface pK{sub a} of 8.5 for the reaction > SiOH {yields} > SiO{sup {minus}} + H{sup +} which is in good agreement with estimates based on potentiometric titration. However, the model gives an unrealistically large pK{sub a} for the reaction > SiOH{sub 2}{sup +} {yields} > SiOH + H{sup +}. The model dependence of this result was checked by using two different types of interaction potentials, one based on quantum mechanical calculations on H{sub 4}SiO{sub 4} clusters, and another empirical model fitted to the structure and elastic properties of {alpha}-quartz. Because these models gave similar results, the authors hypothesize that the failure of the gas-phase models is due to intrinsic solvation effects not accounted for by previously developed correlations. They tested this idea by carrying out energy minimization calculations on gas-phase clusters with one hydration shell as well as molecular dynamics simulations on fully-solvated H{sub 5}SiO{sub 4}{sup +} and a fully solvated (0001) surface of {beta}-quartz. Though the authors are unable to establish a quantitative measure of the pK{sub a} of SiOH{sub 2} groups, the solvated systems do indicate that SiOH groups do not protonate in any of the solvated models.

  17. Molecular dynamics studies of water deposition on hematite surfaces

    NASA Astrophysics Data System (ADS)

    Kvamme, Bjørn; Kuznetsova, Tatiana; Haynes, Martin

    2012-12-01

    The interest in carbon dioxide for enhanced oil recovery is increasing proportional to the decrease in naturally driven oil production and also due to the increasing demand for reduced emission of carbon dioxide to the atmosphere. Transport of carbon dioxide in offshore pipelines involves high pressure and low temperatures which may lead to the formation of hydrate between residual water dissolved in carbon dioxide. The critical question is whether the water at some condition of temperature and pressure will drop out as liquid droplets or as water adsorbed on the surfaces of the pipeline and then subsequently form hydrates heterogeneously. In this work we have used the 6-311G basis set with B3LYP to estimate the charge distribution of different sizes of hematite crystals. The obtained surface charge distribution were kept unchanged while the inner charge distribution where scaled so as to result in an overall neutral crystal. These rust particles were embedded in water and chemical potential for adsorbed water molecules were estimated through thermodynamic integration and compared to similar estimates for same size water cluster. Estimated values of water chemical potentials indicate that it is thermodynamically favorable for water to adsorb on hematite, and that evaluation of potential carbon dioxide hydrate formation conditions and kinetics should be based this sequence of processes.

  18. Exploring the free energy surface using ab initio molecular dynamics

    DOE PAGESBeta

    Samanta, Amit; Morales, Miguel A.; Schwegler, Eric

    2016-04-22

    Efficient exploration of the configuration space and identification of metastable structures are challenging from both computational as well as algorithmic perspectives. Here, we extend the recently proposed orderparameter aided temperature accelerated sampling schemes to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways within the framework of density functional theory based molecular dynamics. The sampling method is applied to explore the relevant parts of the configuration space in prototypical materials SiO2 and Ti to identify the different metastable structures corresponding to different phases in these materials. In addition, we use the string method inmore » collective variables to study the melting pathways in the high pressure cotunnite phase of SiO2 and the hcp to fcc phase transition in Ti.« less

  19. A molecular dynamics investigation of surface reconstruction on magnetite (001)

    NASA Astrophysics Data System (ADS)

    Rustad, J. R.; Wasserman, E.; Felmy, A. R.

    1999-07-01

    Molecular dynamics calculations using analytical potential functions with polarizable oxygen ions have been used to identify a novel mode of reconstruction on the half-occupied tetrahedral layer termination of the magnetite (Fe 3O 4) (001) surface. In the proposed reconstruction, the twofold coordinated iron ion in the top monolayer rotates downward to occupy a vacant half-octahedral site in the plane of the second-layer iron ions. At the same time, half of the tetrahedral iron ions in the third iron layer are pushed upward to occupy an adjacent octahedral vacancy at the level of the second-layer iron ions. The other half of the third-layer iron ions remain roughly in their original positions. The proposed reconstruction is consistent with recent low-energy electron diffraction and X-ray photoelectron spectroscopy results. It also provides a compelling interpretation for the arrangement of atoms suggested by high-resolution scanning-tunneling microscopy studies.

  20. Dynamic properties of integrated nanostructure on metallic surface

    NASA Astrophysics Data System (ADS)

    Zerirgui, D.; Tigrine, R.; Bourahla, B.

    2012-02-01

    We investigated the vibration properties of integrated nanostructure on crystalline surface. The embedded chain of molecules is parallel to y-axis and takes three different positions: top, hollow, and bridge. The vibrational dynamics of the structure is considered within the harmonic approximation framework. The evanescent and propagating vibrational field of the perfect lattice is determined and interpreted. The presence of the diatomic molecule chain breakdown the translation symmetry in one direction, and gives rise to localized states on its neighborhood. Our study is based on the matching method and the Green functions, the spectral and state densities associated to localized modes are determined and calculated numerically. Our results show that the presence of the inhomogeneity contribute to the creation of new branches of localized vibrational modes, and their number and feature depend strongly on structural parameters of the system and the position of the diatomic chain.

  1. Complex Dynamics of the Power Transmission Grid (and other Critical Infrastructures)

    NASA Astrophysics Data System (ADS)

    Newman, David

    2015-03-01

    Our modern societies depend crucially on a web of complex critical infrastructures such as power transmission networks, communication systems, transportation networks and many others. These infrastructure systems display a great number of the characteristic properties of complex systems. Important among these characteristics, they exhibit infrequent large cascading failures that often obey a power law distribution in their probability versus size. This power law behavior suggests that conventional risk analysis does not apply to these systems. It is thought that much of this behavior comes from the dynamical evolution of the system as it ages, is repaired, upgraded, and as the operational rules evolve with human decision making playing an important role in the dynamics. In this talk, infrastructure systems as complex dynamical systems will be introduced and some of their properties explored. The majority of the talk will then be focused on the electric power transmission grid though many of the results can be easily applied to other infrastructures. General properties of the grid will be discussed and results from a dynamical complex systems power transmission model will be compared with real world data. Then we will look at a variety of uses of this type of model. As examples, we will discuss the impact of size and network homogeneity on the grid robustness, the change in risk of failure as generation mix (more distributed vs centralized for example) changes, as well as the effect of operational changes such as the changing the operational risk aversion or grid upgrade strategies. One of the important outcomes from this work is the realization that ``improvements'' in the system components and operational efficiency do not always improve the system robustness, and can in fact greatly increase the risk, when measured as a risk of large failure.

  2. Analysis of AFM cantilever dynamics close to sample surface

    NASA Astrophysics Data System (ADS)

    Habibnejad Korayem, A.; Habibnejad Korayem, Moharam; Ghaderi, Reza

    2013-07-01

    For imaging and manipulation of biological specimens application of atomic force microscopy (AFM) in liquid is necessary. In this paper, tapping-mode AFM cantilever dynamics in liquid close to sample surface is modeled and simulated by well defining the contact forces. The effect of cantilever tilting angle has been accounted carefully. Contact forces have some differences in liquid in comparison to air or vacuum in magnitude or formulation. Hydrodynamic forces are also applied on the cantilever due to the motion in liquid. A continuous beam model is used with its first mode and forward-time simulation method for simulation of its hybrid dynamics and the frequency response and amplitude versus separation diagrams are extracted. The simulation results show a good agreement with experimental results. The resonance frequency in liquid is so small in comparison to air due to additional mass and also additional damping due to the viscosity of the liquid around. The results show that the effect of separation on free vibration amplitude is great. Its effect on resonance frequency is considerable too.

  3. Activated wetting dynamics in the presence of mesoscopic surface disorder

    NASA Astrophysics Data System (ADS)

    Davitt, Kristina; Pettersen, Michael; Rolley, Etienne

    2012-02-01

    Although disorder is commonly used to explain contact angle hysteresis, it is often neglected when considering wetting dynamics. When viscous forces are negligible, contact-line velocity is modelled by the Molecular Kinetic Theory [1], which predicts an activated motion driven by molecular jumps on preferential adsorption sites. We believe that in the presence of mesoscopic disorder, this model can be reinterpreted and that the activation length is no longer molecular-sized but is related to depinning events on the surface. This hypothesis is supported by a study of the wetting of cesium by liquid hydrogen in which it was shown that the activation length is of the order of the expected roughness [2]. However, no systematic study between the activation area and the length scale of the disorder has previously been made. We study wetting dynamics on metal films evaporated under different conditions, allowing us to obtain films with lateral grain sizes ranging from 10 to 200 nm. We find that the activation area deduced from wetting experiments is coherent with these sizes; however, its precise relation to the scale of disorder is not clear.[1] T.D. Blake and J.M. Haynes, J. Colloid Interface Sci. 30, 421 (1969)[2] E. Rolley and C. Guthmann, PRL 98, 166105 (2007)

  4. Analytical simulation and inversion of dynamic urban land surface effects

    NASA Astrophysics Data System (ADS)

    Bayer, P.; Rivera, J.; Blum, P.; Schweizer, D.; Rybach, L.

    2015-12-01

    Long-term thermal changes at the land surface can be backtracked from borehole temperature profiles. The main focus so far has been on past climate changes, assuming perfect coupling of surface air and ground temperature. In many urbanized areas, however, temperature profiles are heavily perturbed. We find a characteristic bending of urban profiles towards shallow depth, which indicates strong heating from the ground surface during recent decades. This phenomenon is generally described as subsurface urban heat island (UHI) effect, which exists beneath many cities worldwide. Major drivers are land use changes and urban structures that act as long-term heat sources that artificially load the top 100 m of the ground. While variability in land use and coverage are critical factors for reliable borehole climatology, temperature profiles can also be inverted to trace back the combined effect of past urbanization and climate. We present an analytical framework based on the superposition of specific Green's functions for simulating transient land use changes and their effects on borehole temperature profiles. By inversion in a Bayesian framework, flexible calibration of unknown spatially distributed parameter values and their correlation is feasible. The procedure is applied to four temperature logs which are around 200-400 m deep from the city and suburbs of Zurich, Switzerland. These were recorded recently by a temperature sensor and data logger introduced in closed borehole heat exchangers before the start of geothermal operation. At the sites, long-term land use changes are well documented for more than the last century. This facilitated focusing on a few unknown parameters, and we selected the contribution by asphalt and by basements of buildings. It is revealed that for three of the four sites, these two factors dominate the subsurface UHI evolution. At one site, additional factors such as buried district heating networks may play a role. It is demonstrated that site

  5. The critical size of brittle solid materials and the measurement of their surface tension

    NASA Astrophysics Data System (ADS)

    Stamboliadis, Elias

    2012-12-01

    The relationship of the energy required to break a particle or a particulate material vs. particle size has been studied by many researchers. On the one hand, mineral processing engineers, who are interested in the specific energy (in joules per cubic meter or joules per kilogram) required for grinding, almost agree that it is inversely proportional to the particle size, although they might disagree on the type of the relationship. On the other hand, building and structural engineers, who are mainly interested in the strength of materials (in newtons per square meter or pascals), they almost agree that at the size range of the elements used, their strength depends on the quality of the material rather than its size. The present article shows that both groups of engineers are right about the size range of the bodies used by each one. However, there is a critical size that determines the fracture behavior of a brittle material. The definition of the critical size can be used to understand the practical results obtained as well as to measure the surface tension of the tested materials.

  6. Physics of Three-Dimensional Bosonic Topological Insulators: Surface-Deconfined Criticality and Quantized Magnetoelectric Effect

    NASA Astrophysics Data System (ADS)

    Vishwanath, Ashvin; Senthil, T.

    2013-01-01

    We discuss physical properties of “integer” topological phases of bosons in D=3+1 dimensions, protected by internal symmetries like time reversal and/or charge conservation. These phases invoke interactions in a fundamental way but do not possess topological order; they are bosonic analogs of free-fermion topological insulators and superconductors. While a formal cohomology-based classification of such states was recently discovered, their physical properties remain mysterious. Here, we develop a field-theoretic description of several of these states and show that they possess unusual surface states, which, if gapped, must either break the underlying symmetry or develop topological order. In the latter case, symmetries are implemented in a way that is forbidden in a strictly two-dimensional theory. While these phases are the usual fate of the surface states, exotic gapless states can also be realized. For example, tuning parameters can naturally lead to a deconfined quantum critical point or, in other situations, to a fully symmetric vortex metal phase. We discuss cases where the topological phases are characterized by a quantized magnetoelectric response θ, which, somewhat surprisingly, is an odd multiple of 2π. Two different surface theories are shown to capture these phenomena: The first is a nonlinear sigma model with a topological term. The second invokes vortices on the surface that transform under a projective representation of the symmetry group. We identify a bulk-field theory consistent with these properties, which is a multicomponent background-field theory supplemented, crucially, with a topological term. We also provide bulk sigma-model field theories of these phases and discuss a possible topological phase characterized by the thermal analog of the magnetoelectric effect.

  7. Long-term intact rock strength and critical in situ stresses in near-surface bedrock

    NASA Astrophysics Data System (ADS)

    Leith, K.; Moore, J.; Amann, F.; Loew, S.

    2012-04-01

    Near-surface in situ stresses in excess of gravitational or tectonic loading are frequently encountered in natural landscapes, although the question of their origin is rarely discussed in detail. These high near-surface stresses are common to both cratonic shield and alpine regions, and their relationship to landscape or landform development has been widely commented on, as they are often associated with the development of exfoliation or sheeting fractures. We suggest these high near-surface stresses originate from the elastic and thermoelastic response of bedrock to exhumation, and reflect a regional stress regime no longer in agreement with either Andersonian stress states or Byerlee's law, but instead limited by the long-term intact rock strength. Although sufficiently rapid extensional strain, or well-oriented Reverse faults are generally assumed to limit the development of such stresses, we suggest that in the absence of these factors, an upper limit to long-term in situ stresses may be defined by the onset of inelastic strain facilitated through micro-cracking, as the rock itself is not able to maintain further increases in differential stress. Recent studies have made significant progress in understanding critical aspects of this system, in particular, the long-term behaviour of bedrock maintaining high differential stresses at shallow depths (100's of m) and the potential for micro-crack development in response to exhumation and thermoelastic relaxation. Our analysis of global in-situ stress measurements indicates good agreement between maximum differential stress magnitudes in compressional regimes and laboratory-derived threshold stresses required to initiate micro-cracking in intact rock. This correlation appears to hold for confining stresses up to 30 MPa (approximately 1 km depth) and indicates that the long-term cohesive component of rock strength may dominate the behaviour of high quality rock masses, and therefore define an upper-bound for in situ

  8. Critical Exponents of Dynamical Conductivity in 2D Percolative Superconductor-Insulator Transitions: Three Universality Classes

    NASA Astrophysics Data System (ADS)

    Karki, Pragalv; Loh, Yen Lee

    We simulate three types of random inductor-capacitor (LC) networks on 4000x4000 lattices. We calculate the dynamical conductivity using an equation-of-motion method in which timestep error is eliminated and windowing error is minimized. We extract the critical exponent a such that σ (ω) ~ω-a at low frequencies. The results suggest that there are three different universality classes. The LijCi model, with capacitances from each site to ground, has a = 0 . 32 . The LijCij model, with capacitances along bonds, has a = 0 . The LijCiCij model, with both types of capacitances, has a = 0 . 30 . This implies that classical percolative 2D superconductor-insulator transitions (SITs) generically have σ (ω) --> ∞ as ω --> 0 . Therefore, experiments that give a constant conductivity as ω --> 0 must be explained in terms of quantum effects.

  9. The spectral gap and the dynamical critical exponent of an exact solvable probabilistic cellular automaton

    NASA Astrophysics Data System (ADS)

    Lazo, M. J.; Ferreira, A. A.; Alcaraz, F. C.

    2015-11-01

    We obtained the exact solution of a probabilistic cellular automaton related to the diagonal-to-diagonal transfer matrix of the six-vertex model on a square lattice. The model describes the flow of ants (or particles), traveling on a one-dimensional lattice whose sites are small craters containing sleeping or awake ants (two kinds of particles). We found the Bethe ansatz equations and the spectral gap for the time-evolution operator of the cellular automaton. From the spectral gap we show that in the asymmetric case it belongs to the Kardar-Parisi-Zhang (KPZ) universality class, exhibiting a dynamical critical exponent value z = 3/2. This result is also obtained from a direct Monte Carlo simulation, by evaluating the lattice-size dependence of the decay time to the stationary state.

  10. Equilibrium surface tension, dynamic surface tension, and micellization properties of lactobionamide-type sugar-based gemini surfactants.

    PubMed

    Yoshimura, Tomokazu; Umezawa, Shin; Fujino, Akihiko; Torigoe, Kanjiro; Sakai, Kenichi; Sakai, Hideki; Abe, Masahiko; Esumi, Kunio

    2013-01-01

    A sugar-based gemini surfactant N,N'-dialkyl-N,N'-dilactobionamideethylenediamine (2C(n)Lac, where n represents alkyl chain lengths of 8, 10, 12, and 14) was synthesized by reacting N,N'-dialkylethylenediamine with lactobionic acid. The adsorption properties of 2C(n)Lac were characterized by equilibrium and dynamic surface tension measurements. Their micellization properties were investigated by steady-state fluorescence using pyrene as a probe and dynamic light scattering (DLS) techniques. The dependence of these properties on the alkyl chain length and the number of sugars was determined through a comparison with the corresponding monomeric surfactants C(n)MLA and previously reported sugar-based gemini surfactants containing monosaccharide gluconamide or disaccharide lactobionamide groups with a hexanediamide spacer. The critical micelle concentration (cmc) and surface tension of 2C(n)Lac are both lower than those of C(n)MLA surfactants. These lower values indicate that the synthesized sugar-based gemini surfactants have excellent micelle-forming ability in solution and high adsorption ability at the air-water interface, which result from strong interactions of the hydrogen bonds between the hydroxyls in lactobionamide groups. When the alkyl chain length of 2C(n)Lac increases to 14, premicellar formation occurs in the solution along with adsorption at the air-water interface at concentrations below the cmc. Furthermore, 2C(n)Lac forms micelles measuring 4 to 12 nm in solution, with no dependence on the alkyl chain length, and their size slightly increases with increasing concentration. PMID:23728326

  11. Photoinduced surface dynamics of CO adsorbed on a platinum electrode.

    PubMed

    Noguchi, Hidenori; Okada, Tsubasa; Uosaki, Kohei

    2006-08-10

    The surface dynamics of adsorbed CO molecules formed by dissociative adsorption of HCHO at a polycrystalline Pt electrode/electrolyte solution interface was studied by picosecond time-resolved sum-frequency generation (TR-SFG) spectroscopy. A SFG peak at 2050-2060 cm(-1) was observed at the Pt electrode in HClO(4) solution containing HCHO at 0-300 mV (vs Ag/AgCl), indicating the formation of adsorbed CO at an atop site of the Pt surface as a result of dissociative adsorption of HCHO. The peak position varied with potential by approximately 33 cm(-1)/V, as previously found in an infrared reflection absorption spectroscopy (IRAS) study. Irradiation of an intense picosecond visible pulse (25 ps, 532 nm) caused an instant intensity decrease and broadening of the CO peak accompanied by the emergence of a new broad peak at approximately 1980 cm(-1) within the time resolution of the system. These results suggest a decrease and increase in the populations of CO adsorbed on atop and bridge sites, respectively, upon visible pump pulse irradiation. PMID:16884215

  12. Surface hopping investigation of benzophenone excited state dynamics.

    PubMed

    Favero, Lucilla; Granucci, Giovanni; Persico, Maurizio

    2016-04-21

    We present a simulation of the photodynamics of benzophenone for the first 20 ps after n →π* excitation, performed by trajectory surface hopping calculations with on-the-fly semiempirical determination of potential energy surfaces and electronic wavefunctions. Both the dynamic and spin-orbit couplings are taken into account, and time-resolved fluorescence emission is also simulated. The computed decay time of the S1 state is in agreement with experimental observations. The direct S1→ T1 intersystem crossing (ISC) accounts for about 2/3 of the S1 decay rate. The remaining 1/3 goes through T2 or higher triplets. The nonadiabatic transitions within the triplet manifold are much faster than ISC and keep the population of T1 at about 3/4 of the total triplet population, and that of the other states (mainly T2) at 1/4. Two internal coordinates are vibrationally active immediately after n →π* excitation: one is the C[double bond, length as m-dash]O stretching and the other one is a combination of the conrotatory torsion of phenyl rings and of bending involving the carbonyl C atom. The period of the torsion-bending mode coincides with oscillations in the time-resolved photoelectron spectra of Spighi et al. and substantially confirms their assignment. PMID:27031566

  13. Surface-Induced Dissociation of Peptide Ions: Kinetics and Dynamics

    SciTech Connect

    Laskin, Julia; Futrell, Jean H.; Shukla, Anil K.

    2003-12-01

    Kinetics and dynamics studies have been carried out for the surface-induced dissociation (SID) of a set of model peptides utilizing a specially designed electrospray ionization Fourier Transform ion cyclotron resonance mass spectrometer in which mass-selected and vibrationally relaxed ions are collided on a orthogonally-mounted fluorinated self-assembled monolayer on Au{l_brace}111{r_brace} crystal. The sampling time in this apparatus can be varied from hundreds of microseconds to tens of seconds, enabling the investigation of kinetics of ion decomposition over an extended range of decomposition rates. RRKM-based modeling of these reactions for a set of polyalanines demonstrates that SID kinetics of these simple peptides is very similar to slow, multiple-collision activation and that the distribution of internal energies following collisional activation is indistinguishable from a thermal distribution. For more complex peptides comprised of several amino acids and with internal degrees of freedom ( DOF) of the order of 350 there is a dramatic change in kinetics in which RRKM kinetics is no longer capable of describing the decomposition of these complex ions. A combination of RRKM kinetics and the sudden death approximation, according to which decomposition occurs instantaneously, is a satisfactory description. This implies that a population of ions-which is dependant on the nature of the peptide, kinetic energy and sampling time-decomposes on or very near the surface. The shattering transition is described quantitatively for the limited set of molecules examined to date

  14. Surface-Induced Dissociation of Peptide Ions: Kinetics and Dynamics

    SciTech Connect

    Laskin, Julia; Futrell, Jean H.

    2003-12-01

    Kinetics and dynamics studies have been carried out for the surface-induced dissociation (SID) of a set of model peptides utilizing a specially designed electro spray ionization Fourier Transform Ion cyclotron resonance mass spectrometer in which mass-selected and vibrationally relaxed ions are collided on an orthogonally-mounted fluorinated self-assembled monolayer on Au {111} crystal. The sampling time in this apparatus can be varied from hundreds of microseconds to tens of seconds, enabling the investigation of kinetics of ion decomposition over an extended range of decomposition rates. RRKM-based modeling of these reactions for a set of polyalanines demonstrates that kinetics of these simple peptides is very similar to slow, multiple-collision activation and that the distribution of internal energies following collisional activation is indistinguishable from a thermal distribution. For more complex peptides comprised of several amino acids and with internal degrees of freedom (DOF) of the order of 350 there is a dramatic change in kinetics in which RRKM kinetics is no longer capable of describing the decomposition of these complex ions. A combination of RRKM kinetics and the “sudden death” approximation, according to which decomposition occurs instantaneously, is a satisfactory description. This implies that a population of ions – which is dependant on the nature of the peptide, kinetic energy and sampling time – decomposes on or very near the surface. The shattering transition is described quantitatively for the limited set of molecules examined to date.

  15. Magnetic resonance measurement of fluid dynamics and transport in tube flow of a near-critical fluid

    NASA Astrophysics Data System (ADS)

    Bray, Joshua M.; Rassi, Erik M.; Seymour, Joseph D.; Codd, Sarah L.

    2014-07-01

    An ability to predict fluid dynamics and transport in supercritical fluids is essential for optimization of applications such as carbon sequestration, enhanced oil recovery, "green" solvents, and supercritical coolant systems. While much has been done to model supercritical velocity distributions, experimental characterization is sparse, owing in part to a high sensitivity to perturbation by measurement probes. Magnetic resonance (MR) techniques, however, detect signal noninvasively from the fluid molecules and thereby overcome this obstacle to measurement. MR velocity maps and propagators (i.e., probability density functions of displacement) were acquired of a flowing fluid in several regimes about the critical point, providing quantitative data on the transport and fluid dynamics in the system. Hexafluoroethane (C2F6) was pumped at 0.5 ml/min in a cylindrical tube through an MR system, and propagators as well as velocity maps were measured at temperatures and pressures below, near, and above the critical values. It was observed that flow of C2F6 with thermodynamic properties far above or below the critical point had the Poiseuille flow distribution of an incompressible Newtonian fluid. Flows with thermodynamic properties near the critical point exhibit complex flow distributions impacted by buoyancy and viscous forces. The approach to steady state was also observed and found to take the longest near the critical point, but once it was reached, the dynamics were stable and reproducible. These data provide insight into the interplay between the critical phase transition thermodynamics and the fluid dynamics, which control transport processes.

  16. Towards a dynamic assessment of raw materials criticality: linking agent-based demand--with material flow supply modelling approaches.

    PubMed

    Knoeri, Christof; Wäger, Patrick A; Stamp, Anna; Althaus, Hans-Joerg; Weil, Marcel

    2013-09-01

    Emerging technologies such as information and communication-, photovoltaic- or battery technologies are expected to increase significantly the demand for scarce metals in the near future. The recently developed methods to evaluate the criticality of mineral raw materials typically provide a 'snapshot' of the criticality of a certain material at one point in time by using static indicators both for supply risk and for the impacts of supply restrictions. While allowing for insights into the mechanisms behind the criticality of raw materials, these methods cannot account for dynamic changes in products and/or activities over time. In this paper we propose a conceptual framework intended to overcome these limitations by including the dynamic interactions between different possible demand and supply configurations. The framework integrates an agent-based behaviour model, where demand emerges from individual agent decisions and interaction, into a dynamic material flow model, representing the materials' stocks and flows. Within the framework, the environmental implications of substitution decisions are evaluated by applying life-cycle assessment methodology. The approach makes a first step towards a dynamic criticality assessment and will enhance the understanding of industrial substitution decisions and environmental implications related to critical metals. We discuss the potential and limitation of such an approach in contrast to state-of-the-art methods and how it might lead to criticality assessments tailored to the specific circumstances of single industrial sectors or individual companies. PMID:23453658

  17. On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

    NASA Astrophysics Data System (ADS)

    Curchod, Basile F. E.; Tavernelli, Ivano

    2013-05-01

    In this work, we present a complete derivation of the NonAdiabatic Bohmian DYnamics (NABDY) equations of motion. This approach naturally emerges from a transformation of the molecular time-dependent Schrödinger equation in the adiabatic representation of the electronic states. The numerical implementation of the method is discussed while simple nonadiabatic models are employed to address the accuracy of NABDY and to reveal its ability to capture nuclear quantum effects that are missed in trajectory surface hopping (TSH) due to the independent trajectory approximation. A careful comparison of the correlated, NABDY, and the uncorrelated, TSH, propagation is also given together with a description of the main approximations and assumptions underlying the "derivation" of a nonadiabatic molecular dynamics scheme based on classical trajectories.

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

    PubMed

    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)] 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. PMID:26651741

  19. 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.

  20. Epicardial surface dynamics in the closed-chest normal canine.

    PubMed

    McInerney, J J; Kim, E F; Herr, M D; Copenhaver, G L

    1995-11-01

    Past studies of the changing three-dimensional shape of the heart in the closed chest during the cardiac cycle have been restricted to the measurement of local deformations at a relatively few specific locations, and often have required surgical procedures that alter the measurements obtained. In the study reported here, high precision displacement and velocity measurements were obtained at the epicardial interface using a Compton backscatter imaging technique that does not require a surgical intervention or contrast injections. Displacement and velocity measurements were obtained at more than 200 locations at the epicardial interface at 13 ms intervals throughout the cardiac cycle. Measurements of the changing shape of the heart during the cardiac cycle with this technique are precise to 0.1 mm (S.D.). Displacement and velocity patterns recorded in this study confirm and integrate the studies of many others and also add new information. An unexpected vigorous inward motion of both the LV (39 mm s-1) and RV (26 mm s-1) surfaces during isovolumic relaxation and early rapid refill is demonstrated. Velocities during this period equal or exceed those that occur during ejection. During ejection, inward LV motion at the base of the heart precedes that at the apex by 80-90 ms. Posterior LV displacements and velocities during ejection are 4-6 times greater than those at the anterior and apex. The Compton backscatter imaging technique for obtaining undisturbed measurements of cardiac dynamics in the closed chest has potential as a non-invasive clinical tool for serial studies of cardiac surface motion abnormalities. The data presented can also be used to set surface boundary conditions for biomechanical models of heart deformation. PMID:8522545

  1. Predicting surface dynamic topographies of stagnant lid planetary bodies

    NASA Astrophysics Data System (ADS)

    Dumoulin, C.; Čadek, O.; Choblet, G.

    2013-12-01

    Although planetary mantles are viscoelastic media, numerical models of thermal convection in a viscoelastic spherical shell are still very challenging. Here, we examine the validity of simplified mechanical and rheological frameworks classically used to approximate viscoelastic dynamic topography. We compare three simplified approaches to a linear Maxwell viscoelastic shell with a pseudo upper free-surface, considered as the reference model. A viscous model with a free-slip boundary condition at the surface correctly reproduces the final relaxed shape of the viscoelastic body but it cannot reproduce the time evolution of the viscoelastic topography. Nevertheless, characterizing the topography development is important since it can represent a significant fraction of the history for planets having a thick and rigid lithosphere (e.g. Mars). A viscous model with a pseudo free-surface, despite its time-dependency, also systematically fails to describe correctly these transient stages. An elastic filtering of the instantaneous viscous topography is required to capture the essence of the time evolution of the topography. We show that a single effective elastic thickness is needed to correctly reproduce the constant transient viscoelastic topography obtained when the lithosphere corresponds to a step-like viscosity variation, while a time-dependence of the effective elastic thickness must be considered to take account of realistic temperature-dependent viscosity variations in the lithosphere. In this case, the appropriate thickness of the elastic shell can be evaluated, at a given instant, with a simple procedure based on the local Maxwell time. Furthermore, if the elastic filtering is performed using the thin elastic shell formulation, an unrealistic degree-dependence of the thickness of the elastic shell is needed to correctly approximate the viscoelastic topography. We show that a model that fully couples a viscous body to an elastic shell of finite thickness estimated

  2. Influence of the heater material on the critical heat load at boiling of liquids on surfaces with different sizes

    NASA Astrophysics Data System (ADS)

    Anokhina, E. V.

    2010-05-01

    Data on critical heat loads q cr for the saturated and unsaturated pool boiling of water and ethanol under atmospheric pressure are reported. It is found experimentally that the critical heat load does not necessarily coincide with the heat load causing burnout of the heater, which should be taken into account. The absolute values of q cr for the boiling of water and ethanol on copper surfaces 65, 80, 100, 120, and 200 μm in diameter; tungsten surface 100 μm in diameter; and nichrome surface 100 μm in diameter are obtained experimentally.

  3. Examination of surface nucleation during the growth of long alkane crystals by molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Bourque, Alexander; Rutledge, Gregory

    2015-03-01

    Crystal growth from the melt of n-pentacontane (C50) was studied by molecular dynamics simulation using a validated united atom model. By quenching below the melting temperature of C50 (370 K), propagation of the crystal growth front into the C50 melt from a crystalline polyethylene surface was observed. By tracking the location of the midpoint in the orientational order parameter profile between the crystal and melt, crystal growth rates between 0.015-0.040 m/s were observed, for quench depths of 10 to 70 K below the melting point. In this work, surface nucleation is identified with the formation of 2D clusters of crystalline sites within layers parallel to the propagating growth front, by analogy to the formation of 3D clusters in primary, homogeneous nucleation. These surface nucleation events were tracked over several layers and numerous simulations, and a mean first passage time analysis was employed to estimate critical nucleus sizes, induction times and rates for surface nucleation. Based on new insights provided by the detailed molecular trajectories obtained from simulation, the classical theory proposed by Lauritzen and Hoffman is re-examined.

  4. Critical review: Plasma-surface reactions and the spinning wall method

    SciTech Connect

    Donnelly, V. M.; Guha, J.; Stafford, L.

    2011-01-15

    This article reviews methods for studying reactions of atoms and small molecules on substrates and chamber walls that are immersed in a plasma, a relatively unexplored, yet very important area of plasma science and technology. Emphasis is placed on the ''spinning wall'' technique. With this method, a cylindrical section of the wall of the plasma reactor is rotated, and the surface is periodically exposed to the plasma and then to a differentially pumped mass spectrometer, to an Auger electron spectrometer, and, optionally, to a beam of additional reactants or surface coatings. Reactants impinging on the surface can stick and react over time scales that are comparable to the substrate rotation period, which can be varied from {approx}0.5 to 40 ms. Langmuir-Hinshelwood reaction probabilities can be derived from a measurement of the absolute desorption product yields as a function of the substrate rotation frequency. Auger electron spectroscopy allows the plasma-immersed surface to be monitored during plasma operation. This measurement is critical, since wall ''conditioning'' in the plasma changes the reaction probabilities. Mass spectrometer cracking patterns are used to identify simple desorption products such as Cl{sub 2}, O{sub 2}, ClO, and ClO{sub 2}. Desorption products also produce a measurable pressure rise in the second differentially pumped chamber that can be used to obtain absolute desorption yields. The surface can also be coated with films that can be deposited by sputtering a target in the plasma or by evaporating material from a Knudsen cell in the differentially pumped wall chamber. Here, the authors review this new spinning wall technique in detail, describing both experimental issues and data analysis methods and interpretations. The authors have used the spinning wall method to study the recombination of Cl and O on plasma-conditioned anodized aluminum and stainless steel surfaces. In oxygen or chlorine plasmas, these surfaces become coated with a

  5. LDEF (Postflight), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Sola

    NASA Technical Reports Server (NTRS)

    1990-01-01

    LDEF (Postflight), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Solar Cells Developed in Germany, Tray E03 The postflight photograph was taken in the SAEF II at KSC after the experiment was removed from the LDEF. The capture cells of experiment A0187-02 are in the left two thirdsThe Experiment Exposure Control Canister containing experiment S1002 is the item located in the right one third section of the tray. Details of the EECC containing the experiment cannot be defined due to the glare of the lights on the aluminum surfaces. The brown stain is clearly visible on the left end of the bottom tray flange. Note the spring collar near the lower end of the lead screw. The collar, pushed along the lead screw as the door opens, is an indication that the EECC did open and close while in orbit. The green tint on the two (2) debris panels is a by-product of the chromic anodize coating process and not attributed to contamination and/or exposure to the space environment. A light colored irregular shaped vertical streak is seen on the right debris panel. The light band across the top and bottom edges of the panels is caused by light reflecting from the tray sidewalls.

  6. Modelling evapotranspiration during precipitation deficits: Identifying critical processes in a land surface model

    DOE PAGESBeta

    Ukkola, Anna M.; Pitman, Andy J.; Decker, Mark; De Kauwe, Martin G.; Abramowitz, Gab; Kala, Jatin; Wang, Ying -Ping

    2016-06-21

    Surface fluxes from land surface models (LSMs) have traditionally been evaluated against monthly, seasonal or annual mean states. The limited ability of LSMs to reproduce observed evaporative fluxes under water-stressed conditions has been previously noted, but very few studies have systematically evaluated these models during rainfall deficits. We evaluated latent heat fluxes simulated by the Community Atmosphere Biosphere Land Exchange (CABLE) LSM across 20 flux tower sites at sub-annual to inter-annual timescales, in particular focusing on model performance during seasonal-scale rainfall deficits. The importance of key model processes in capturing the latent heat flux was explored by employing alternative representations of hydrology, leafmore » area index, soil properties and stomatal conductance. We found that the representation of hydrological processes was critical for capturing observed declines in latent heat during rainfall deficits. By contrast, the effects of soil properties, LAI and stomatal conductance were highly site-specific. Whilst the standard model performs reasonably well at annual scales as measured by common metrics, it grossly underestimates latent heat during rainfall deficits. A new version of CABLE, with a more physically consistent representation of hydrology, captures the variation in the latent heat flux during seasonal-scale rainfall deficits better than earlier versions, but remaining biases point to future research needs. Lastly, our results highlight the importance of evaluating LSMs under water-stressed conditions and across multiple plant functional types and climate regimes.« less

  7. Rapid filamentation of high power lasers at the quarter critical surface

    SciTech Connect

    Brady, C. S.; Lawrence-Douglas, A.; Arber, T. D.

    2012-06-15

    A novel mechanism for initiating laser filamentation for intensities above 5 Multiplication-Sign 10{sup 17} W/cm{sup 2} is presented, seeded by the transient interference of an incident laser and its Raman backscattered daughter wave. For lasers propagating up short scale-length density gradients, the Raman reflectivity is peaked near the relativistically corrected quarter critical surface (RCQCS) and thus filamentation is observed to start on this surface. The filamentation at the RCQCS occurs on timescales comparable to the laser period. A series of 2D particle-in-cell (PIC) simulations confirm this physical model. Growth rates are obtained from simulations for a variety of simulation parameters and a simplified model in which the RCQCS behaves as a partially reflecting mirror, with the reflected light at double the wavelength of the incident light, is shown to reproduce the number and approximate location of filaments from PIC simulations. It was also proposed that field ionisation may alter RCQCS formation and the method of inclusion for this into the PIC simulation is presented. Additional simulations demonstrate field ionisation to have a negligible effect on the formation of the RCQCS. The implications of this filamentation mechanism for plasma experiments which require focused light of intensities above 5 Multiplication-Sign 10{sup 17} W/cm{sup 2} to propagate beyond the RCQCS are discussed.

  8. Rapid filamentation of high power lasers at the quarter critical surface

    NASA Astrophysics Data System (ADS)

    Brady, C. S.; Lawrence-Douglas, A.; Arber, T. D.

    2012-06-01

    A novel mechanism for initiating laser filamentation for intensities above 5 × 1017 W/cm2 is presented, seeded by the transient interference of an incident laser and its Raman backscattered daughter wave. For lasers propagating up short scale-length density gradients, the Raman reflectivity is peaked near the relativistically corrected quarter critical surface (RCQCS) and thus filamentation is observed to start on this surface. The filamentation at the RCQCS occurs on timescales comparable to the laser period. A series of 2D particle-in-cell (PIC) simulations confirm this physical model. Growth rates are obtained from simulations for a variety of simulation parameters and a simplified model in which the RCQCS behaves as a partially reflecting mirror, with the reflected light at double the wavelength of the incident light, is shown to reproduce the number and approximate location of filaments from PIC simulations. It was also proposed that field ionisation may alter RCQCS formation and the method of inclusion for this into the PIC simulation is presented. Additional simulations demonstrate field ionisation to have a negligible effect on the formation of the RCQCS. The implications of this filamentation mechanism for plasma experiments which require focused light of intensities above 5 × 1017 W/cm2 to propagate beyond the RCQCS are discussed.

  9. Improved Critical Eigenfunction Restriction Estimates on Riemannian Surfaces with Nonpositive Curvature

    NASA Astrophysics Data System (ADS)

    Xi, Yakun; Zhang, Cheng

    2016-07-01

    We show that one can obtain improved L 4 geodesic restriction estimates for eigenfunctions on compact Riemannian surfaces with nonpositive curvature. We achieve this by adapting Sogge's strategy in (Improved critical eigenfunction estimates on manifolds of nonpositive curvature, Preprint). We first combine the improved L 2 restriction estimate of Blair and Sogge (Concerning Toponogov's Theorem and logarithmic improvement of estimates of eigenfunctions, Preprint) and the classical improved {L^∞} estimate of Bérard to obtain an improved weak-type L 4 restriction estimate. We then upgrade this weak estimate to a strong one by using the improved Lorentz space estimate of Bak and Seeger (Math Res Lett 18(4):767-781, 2011). This estimate improves the L 4 restriction estimate of Burq et al. (Duke Math J 138:445-486, 2007) and Hu (Forum Math 6:1021-1052, 2009) by a power of {(log logλ)^{-1}} . Moreover, in the case of compact hyperbolic surfaces, we obtain further improvements in terms of {(logλ)^{-1}} by applying the ideas from (Chen and Sogge, Commun Math Phys 329(3):435-459, 2014) and (Blair and Sogge, Concerning Toponogov's Theorem and logarithmic improvement of estimates of eigenfunctions, Preprint). We are able to compute various constants that appeared in (Chen and Sogge, Commun Math Phys 329(3):435-459, 2014) explicitly, by proving detailed oscillatory integral estimates and lifting calculations to the universal cover H^2.

  10. Modelling evapotranspiration during precipitation deficits: identifying critical processes in a land surface model

    NASA Astrophysics Data System (ADS)

    Ukkola, A.; Pitman, A.; Decker, M. R.; De Kauwe, M. G.; Abramowitz, G.; Wang, Y.; Kala, J.

    2015-12-01

    Surface fluxes from land surface models (LSM) have traditionally been evaluated against monthly, seasonal or annual mean states. Previous studies have noted the limited ability of LSMs to reproduce observed evaporative fluxes under water-stressed conditions but very few studies have systematically evaluated LSMs during rainfall deficits. We investigate the performance of the Community Atmosphere Biosphere Land Exchange (CABLE) LSM in simulating latent heat fluxes in offline mode. CABLE is evaluated against eddy covariance measurements of latent heat flux across 20 flux tower sites at sub-annual to inter-annual time scales, with a focus on model performance during seasonal-scale rainfall deficits. The importance of key model processes in capturing the latent heat flux is explored by employing alternative representations of hydrology, soil properties, leaf area index and stomatal conductance. We demonstrate the critical role of hydrological processes for capturing observed declines in latent heat. The effects of soil, LAI and stomatal conductance are shown to be highly site-specific. The default CABLE performs reasonably well at annual scales despite grossly underestimating latent heat during rainfall deficits, highlighting the importance for evaluating models explicitly under water-stressed conditions across multiple vegetation and climate regimes. A new version of CABLE, with a more physically consistent representation of hydrology, captures the variation in the latent heat flux during seasonal-scale rainfall deficits better than earlier versions but remaining deficiencies point to future research needs.

  11. Modelling evapotranspiration during precipitation deficits: identifying critical processes in a land surface model

    NASA Astrophysics Data System (ADS)

    Ukkola, A. M.; Pitman, A. J.; Decker, M.; De Kauwe, M. G.; Abramowitz, G.; Kala, J.; Wang, Y.-P.

    2015-10-01

    Surface fluxes from land surface models (LSM) have traditionally been evaluated against monthly, seasonal or annual mean states. The limited ability of LSMs to reproduce observed evaporative fluxes under water-stressed conditions has been previously noted, but very few studies have systematically evaluated these models during rainfall deficits. We evaluated latent heat flux simulated by the Community Atmosphere Biosphere Land Exchange (CABLE) LSM across 20 flux tower sites at sub-annual to inter-annual time scales, in particular focusing on model performance during seasonal-scale rainfall deficits. The importance of key model processes in capturing the latent heat flux are explored by employing alternative representations of hydrology, leaf area index, soil properties and stomatal conductance. We found that the representation of hydrological processes was critical for capturing observed declines in latent heat during rainfall deficits. By contrast, the effects of soil properties, LAI and stomatal conductance are shown to be highly site-specific. Whilst the standard model performs reasonably well at annual scales as measured by common metrics, it grossly underestimates latent heat during rainfall deficits. A new version of CABLE, with a more physically consistent representation of hydrology, captures the variation in the latent heat flux during seasonal-scale rainfall deficits better than earlier versions but remaining biases point to future research needs. Our results highlight the importance of evaluating LSMs under water-stressed conditions and across multiple plant functional types and climate regimes.

  12. Modelling evapotranspiration during precipitation deficits: identifying critical processes in a land surface model

    NASA Astrophysics Data System (ADS)

    Ukkola, Anna M.; Pitman, Andy J.; Decker, Mark; De Kauwe, Martin G.; Abramowitz, Gab; Kala, Jatin; Wang, Ying-Ping

    2016-06-01

    Surface fluxes from land surface models (LSMs) have traditionally been evaluated against monthly, seasonal or annual mean states. The limited ability of LSMs to reproduce observed evaporative fluxes under water-stressed conditions has been previously noted, but very few studies have systematically evaluated these models during rainfall deficits. We evaluated latent heat fluxes simulated by the Community Atmosphere Biosphere Land Exchange (CABLE) LSM across 20 flux tower sites at sub-annual to inter-annual timescales, in particular focusing on model performance during seasonal-scale rainfall deficits. The importance of key model processes in capturing the latent heat flux was explored by employing alternative representations of hydrology, leaf area index, soil properties and stomatal conductance. We found that the representation of hydrological processes was critical for capturing observed declines in latent heat during rainfall deficits. By contrast, the effects of soil properties, LAI and stomatal conductance were highly site-specific. Whilst the standard model performs reasonably well at annual scales as measured by common metrics, it grossly underestimates latent heat during rainfall deficits. A new version of CABLE, with a more physically consistent representation of hydrology, captures the variation in the latent heat flux during seasonal-scale rainfall deficits better than earlier versions, but remaining biases point to future research needs. Our results highlight the importance of evaluating LSMs under water-stressed conditions and across multiple plant functional types and climate regimes.

  13. A Molecular Dynamics Simulation of the Density Fluctuation of Diatomic Fluids around the Critical Point

    NASA Astrophysics Data System (ADS)

    Ikawa, Shohei; Tokumasu, Takashi; Tsuboi, Nobuyuki; Nagashima, Hiroki; Tsuda, Shin-Ichi

    2014-11-01

    In this study, we evaluated the density fluctuation of diatomic fluids around the critical point. We simulated the density fluctuation of 2-Center-Lennard-Jones (2CLJ) fluids, which have molecular elongations as one of the parameters, by Molecular Dynamics (MD) method. We focused on the effect of anisotropy of diatomic fluid on fluctuation structure to evaluate the principle of corresponding state of the density fluctuation. As the evaluation methods, we calculated the dispersion of number of molecules at certain domain and also computed static structure factor. We calculated those values of diatomic fluids which have various molecular elongations to compare the difference of fluctuation structure of fluids. As results, the principle of corresponding state is satisfied because there is no significant difference in the fluctuation structure between fluids which have shorter molecular elongation and longer one. Hereafter, we are going to calculate the intermediate scattering function and dynamic structure factor to evaluate the principle of corresponding state of the density fluctuation in detail. This study has been supported by Grant-in-Aid for Scientific Research (B) (23360380) and the Collaborative Research Project of the Institute of Fluids Science, Tohoku University.

  14. Quench dynamics near a quantum critical point: Application to the sine-Gordon model

    NASA Astrophysics Data System (ADS)

    de Grandi, C.; Gritsev, V.; Polkovnikov, A.

    2010-06-01

    We discuss the quench dynamics near a quantum critical point focusing on the sine-Gordon model as a primary example. We suggest a unified approach to sudden and slow quenches, where the tuning parameter λ(t) changes in time as λ(t)˜υtr , based on the adiabatic expansion of the excitation probability in powers of υ . We show that the universal scaling of the excitation probability can be understood through the singularity of the generalized adiabatic susceptibility χ2r+2(λ) , which for sudden quenches (r=0) reduces to the fidelity susceptibility. In turn this class of susceptibilities is expressed through the moments of the connected correlation function of the quench operator. We analyze the excitations created after a sudden quench of the cosine potential using a combined approach of form-factors expansion and conformal perturbation theory for the low-energy and high-energy sector, respectively. We find the general scaling laws for the probability of exciting the system, the density of excited quasiparticles, the entropy and the heat generated after the quench. In the two limits where the sine-Gordon model maps to hard-core bosons and free massive fermions we provide the exact solutions for the quench dynamics and discuss the finite temperature generalizations.

  15. Critical dynamics of the jamming transition in one-dimensional nonequilibrium lattice-gas models

    NASA Astrophysics Data System (ADS)

    Priyanka; Jain, Kavita

    2016-04-01

    We consider several one-dimensional driven lattice-gas models that show a phase transition in the stationary state between a high-density fluid phase in which the typical length of a hole cluster is of order unity and a low-density jammed phase where a hole cluster of macroscopic length forms in front of a particle. Using a hydrodynamic equation for an interface growth model obtained from the driven lattice-gas models of interest here, we find that in the fluid phase, the roughness exponent and the dynamic exponent that, respectively, characterize the scaling of the saturation width and the relaxation time of the interface with the system size are given by the Kardar-Parisi-Zhang exponents. However, at the critical point, we show analytically that when the equal-time density-density correlation function decays slower than inverse distance, the roughness exponent varies continuously with a parameter in the hop rates, but it is one-half otherwise. Using these results and numerical simulations for the density-density autocorrelation function, we further find that the dynamic exponent z =3 /2 in all cases.

  16. Multi-reference vs. single-reference quantum chemical methods in surface hopping dynamics

    NASA Astrophysics Data System (ADS)

    Lischka, Hans

    2015-03-01

    The reliability of quantum chemical methods plays a critical role in performing reliable nonadiabatic dynamics simulations. Unfortunately, the methods for computing excited states including larger regions of the energy surfaces are still computationally expensive or need support from higher level methods. In this talk the capabilities of multireference (MR) versus single reference (SR) methods will be discussed. In terms of SR approaches we focus our attention on the second-order algebraic diagrammatic construction method (ADC(2)). In addition to the direct calculation of nonadiabatic coupling vectors also the method of computing wavefunction overlaps between consecutive time steps is used. Several interesting examples are discussed such as the charge transfer between π systems and the photodecativation of adenine. In the latter example an extensive comparison of the results concerning deactivation pathways and decay times is given for different methods including multireference configuration interaction, ADC(2) and time-dependent density functional theory (TDDFT) using various functionals. The surface hopping dynamics simulations are performed on the basis of the public domain program system NEWTON-X

  17. Characterizing dynamic processes in the Critical Zone: Crazy new tools provide crazy new insights

    NASA Astrophysics Data System (ADS)

    Selker, J. S.; Sayde, C.; Thomas, C. K.

    2015-12-01

    The dynamics of the critical zone are in many aspects poorly understood, resulting largely from the difficulty of observing key processes. Key stores and fluxes are invisible, from the energy budget in air and soil, to the fluxes of water in soils, air and plants. Fortunately we are poised to remove the blinkers, and reveal the spatial and temporal structure of these terms. This will be achieved by novel combinations of observation technologies and high-performance computing. Fiber optic technology allows 1 s measurement of temperature at 0.25 m resolution to 0.1 C. By injecting heat in the fiber, we can quantify stores of soil water, fluxes in soils and boreholes, and movement of the atmosphere. Air-born digital imagining is shown to facilitate cm-level observation of landscapes at the km-scale, as well as the potential to monitor the temporal dynamics of canopy interception. These data can be used to connect specific structures and plant assemblages to key fluxes. Many of these methods are being developed and provided at low cost to the community by the Center for Transformative Environmental Monitoring Programs (CTEMPs.org). A parallel effort, the Open-Source Published Environmental Sensing (OPENS.org) laboratory, provides a forum for the development and publication of user-producible instruments. In all cases the developments are characterized by combining low-cost per data point at hundreds to thousands of locations to provide a comprehensive view of the spacio-temporal dynamics of the crucial zone.

  18. Toward an improved understanding of the role of transpiration in critical zone dynamics

    NASA Astrophysics Data System (ADS)

    Mitra, B.; Papuga, S. A.

    2012-12-01

    Evapotranspiration (ET) is an important component of the total water balance across any ecosystem. In subalpine mixed-conifer ecosystems, transpiration (T) often dominates the total water flux and therefore improved understanding of T is critical for accurate assessment of catchment water balance and for understanding of the processes that governs the complex dynamics across critical zone (CZ). The interaction between T and plant vegetation not only modulates soil water balance but also influences water transit time and hydrochemical flux - key factors in our understanding of how the CZ evolves and responds. Unlike an eddy covariance system which provides only an integrated ET flux from an ecosystem, a sap flow system can provide an estimate of the T flux from the ecosystem. By isolating T, the ecohydrological drivers of this major water loss from the CZ can be identified. Still, the species composition of mixed-conifer ecosystems vary and the drivers of T associated with each species are expected to be different. Therefore, accurate quantification of T from a mixed-conifer requires knowledge of the unique transpiration dynamics of each of the tree species. Here, we installed a sap flow system within two mixed-conifer study sites of the Jemez River Basin - Santa Catalina Mountains Critical Zone Observatory (JRB - SCM CZO). At both sites, we identified the dominant tree species and installed sap flow sensors on healthy representatives for each of those species. At the JRB CZO site, sap sensors were installed in fir (4) and spruce (4) trees; at the SCM CZO site, sap sensors were installed at white fir (4) and maple (4) and one dead tree. Meteorological data as well as soil temperature (Ts) and soil moisture (θ) at multiple depths were also collected from each of the two sites. Preliminary analysis of two years of sap flux rate at JRB - SCM CZO shows that the environmental drivers of fir, spruce, and maple are different and also vary throughout the year. For JRB fir

  19. Simultaneous characterization of protein-material and cell-protein interactions using dynamic QCM-D analysis on SAM surfaces.

    PubMed

    Kushiro, Keiichiro; Lee, Chih-Hao; Takai, Madoka

    2016-05-24

    Understanding the interactions among materials, proteins and cells is critical for the development of novel biomaterials, and establishing a highly sensitive and quantitative method to standardize these interactions is desired. In this study, quartz crystal microbalance with dissipation (QCM-D) combined with microscopy was utilized to quantitatively monitor the entirety of the cell adhesion processes, starting from the protein adsorption, on various self-assembled monolayer (SAM) surfaces. Although the resulting cell adhesion morphologies were similar on most of the surfaces, the dynamic QCM-D signal patterns were unique on each surface, suggesting different forms of material-protein-cell interactions. The viscoelasticity and the density of the surface-adsorbed fibronectin (FN), as well as the relative exposure of the cell adhesive arginine-glycine-aspartic acid (RGD) motifs, were correlated to the different cell adhesion dynamics and mechanics. Some surfaces exhibited complicated behaviors alluding to the detachment/rearrangement of surface proteins or highly sparse but bioactive proteins that promote a slow adhesion process. This study underscores the potential use of the QCM-D signal pattern as a rule of thumb for delineating different protein-material and cell-protein interactions, and offers a rapid in vitro platform for the dynamic evaluation of protein and cell behaviors on novel biomaterials. PMID:27127807

  20. Catchment organisation, free energy dynamics and network control on critical zone water flows

    NASA Astrophysics Data System (ADS)

    Zehe, E.; Ehret, U.; Kleidon, A.; Jackisch, C.; Scherer, U.; Blume, T.

    2012-04-01

    as that these flow structures organize and dominate flows of water, dissolved matter and sediments during rainfall driven conditions at various scales: - Surface connected vertical flow structures of anecic worm burrows or soil cracks organize and dominated vertical flows at the plot scale - this is usually referred to as preferential flow; - Rill networks at the soil surface organise and dominate hillslope scale overland flow response and sediment yields; - Subsurface pipe networks at the bedrock interface organize and dominate hillslope scale lateral subsurface water and tracer flows; - The river net organizes and dominates flows of water, dissolved matter and sediments to the catchment outlet and finally across continental gradients to the sea. Fundamental progress with respect to the parameterization of hydrological models, subscale flow networks and to understand the adaptation of hydro-geo ecosystems to change could be achieved by discovering principles that govern the organization of catchments flow networks in particular at least during steady state conditions. This insight has inspired various scientists to suggest principles for organization of ecosystems, landscapes and flow networks; as Bejans constructural law, Minimum Energy Expenditure , Maximum Entropy Production. In line with these studies we suggest that a thermodynamic/energetic treatment of the catchment is might be a key for understanding the underlying principles that govern organisation of flow and transport. Our approach is to employ a) physically based hydrological model that address at least all the relevant hydrological processes in the critical zone in a coupled way, behavioural representations of the observed organisation of flow structures and textural elements, that are consistent with observations in two well investigated research catchments and have been tested against distributed observations of soil moisture and catchment scale discharge; to simulate the full concert of hydrological

  1. Prediction of critical heat flux in water-cooled plasma facing components using computational fluid dynamics.

    SciTech Connect

    Bullock, James H.; Youchison, Dennis Lee; Ulrickson, Michael Andrew

    2010-11-01

    Several commercial computational fluid dynamics (CFD) codes now have the capability to analyze Eulerian two-phase flow using the Rohsenow nucleate boiling model. Analysis of boiling due to one-sided heating in plasma facing components (pfcs) is now receiving attention during the design of water-cooled first wall panels for ITER that may encounter heat fluxes as high as 5 MW/m2. Empirical thermalhydraulic design correlations developed for long fission reactor channels are not reliable when applied to pfcs because fully developed flow conditions seldom exist. Star-CCM+ is one of the commercial CFD codes that can model two-phase flows. Like others, it implements the RPI model for nucleate boiling, but it also seamlessly transitions to a volume-of-fluid model for film boiling. By benchmarking the results of our 3d models against recent experiments on critical heat flux for both smooth rectangular channels and hypervapotrons, we determined the six unique input parameters that accurately characterize the boiling physics for ITER flow conditions under a wide range of absorbed heat flux. We can now exploit this capability to predict the onset of critical heat flux in these components. In addition, the results clearly illustrate the production and transport of vapor and its effect on heat transfer in pfcs from nucleate boiling through transition to film boiling. This article describes the boiling physics implemented in CCM+ and compares the computational results to the benchmark experiments carried out independently in the United States and Russia. Temperature distributions agreed to within 10 C for a wide range of heat fluxes from 3 MW/m2 to 10 MW/m2 and flow velocities from 1 m/s to 10 m/s in these devices. Although the analysis is incapable of capturing the stochastic nature of critical heat flux (i.e., time and location may depend on a local materials defect or turbulence phenomenon), it is highly reliable in determining the heat flux where boiling instabilities begin

  2. The estimation of dynamic contact angle of ultra-hydrophobic surfaces using inclined surface and impinging droplet methods

    NASA Astrophysics Data System (ADS)

    Jasikova, Darina; Kotek, Michal

    2014-03-01

    The development of industrial technology also brings with optimized surface quality, particularly where there is contact with food. Application ultra-hydrophobic surface significantly reduces the growth of bacteria and facilitates cleaning processes. Testing and evaluation of surface quality are used two methods: impinging droplet and inclined surface method optimized with high speed shadowgraphy, which give information about dynamic contact angle. This article presents the results of research into new methods of measuring ultra-hydrophobic patented technology.

  3. 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

    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

  4. Trajectory surface-hopping study of methane photodissociation dynamics

    NASA Astrophysics Data System (ADS)

    Lodriguito, Maricris D.; Lendvay, György; Schatz, George C.

    2009-12-01

    We use the fewest switches nonadiabatic trajectory surface hopping approach to study the photodissociation of methane on its lowest singlet excited state potential surface (1 T12) at 122 nm, with emphasis on product state branching and energy partitioning. The trajectories and couplings are based on CASSCF(8,9) calculations with an aug-cc-pvdz basis set. We demonstrate that nonadiabatic dynamics is important to describe the dissociation processes. We find that CH3(X˜ A22″)+H and CH2(ã A11)+H2 are the major dissociation channels, as have been observed experimentally. CH3+H is mostly formed by direct dissociation that is accompanied by hopping to the ground state. CH2+H2 can either be formed by hopping to the ground state to give CH2(ã A11)+H2 or by adiabatic dissociation to CH2(b˜ B11)+H2. In the latter case, the CH2(b˜ B11) can then undergo internal conversion to the ground singlet state by Renner-Teller induced hopping. Less important dissociation mechanisms lead to CH2+H+H and to CH+H2+H. Intersystem crossing effects, which are not included, do not seem essential to describe the experimentally observed branching behavior. About 5% of trajectories involve a roaming atom mechanism which can eventually lead to formation of products in any of the dissociation channels. Branching fractions to give H and H2 are in good agreement with experiment, and the H atom translational energy distribution shows bimodal character which also matches observations.

  5. Ocean Surface Winds Drive Dynamics of Transoceanic Aerial Movements

    PubMed Central

    Felicísimo, Ángel M.; Muñoz, Jesús; González-Solis, Jacob

    2008-01-01

    Global wind patterns influence dispersal and migration processes of aerial organisms, propagules and particles, which ultimately could determine the dynamics of colonizations, invasions or spread of pathogens. However, studying how wind-mediated movements actually happen has been hampered so far by the lack of high resolution global wind data as well as the impossibility to track aerial movements. Using concurrent data on winds and actual pathways of a tracked seabird, here we show that oceanic winds define spatiotemporal pathways and barriers for large-scale aerial movements. We obtained wind data from NASA SeaWinds scatterometer to calculate wind cost (impedance) models reflecting the resistance to the aerial movement near the ocean surface. We also tracked the movements of a model organism, the Cory's shearwater (Calonectris diomedea), a pelagic bird known to perform long distance migrations. Cost models revealed that distant areas can be connected through “wind highways” that do not match the shortest great circle routes. Bird routes closely followed the low-cost “wind-highways” linking breeding and wintering areas. In addition, we found that a potential barrier, the near surface westerlies in the Atlantic sector of the Intertropical Convergence Zone (ITCZ), temporally hindered meridional trans-equatorial movements. Once the westerlies vanished, birds crossed the ITCZ to their winter quarters. This study provides a novel approach to investigate wind-mediated movements in oceanic environments and shows that large-scale migration and dispersal processes over the oceans can be largely driven by spatiotemporal wind patterns. PMID:18698354

  6. He atom surface spectroscopy: Surface lattice dynamics of insulators, metals and metal overlayers

    SciTech Connect

    Not Available

    1990-01-01

    During the first three years of this grant (1985--1988) the effort was devoted to the construction of a state-of-the-art He atom scattering (HAS) instrument which would be capable of determining the structure and dynamics of metallic, semiconductor or insulator crystal surfaces. The second three year grant period (1988--1991) has been dedicated to measurements. The construction of the instrument went better than proposed; it was within budget, finished in the proposed time and of better sensitivity and resolution than originally planned. The same success has been carried over to the measurement phase where the concentration has been on studies of insulator surfaces, as discussed in this paper. The experiments of the past three years have focused primarily on the alkali halides with a more recent shift to metal oxide crystal surfaces. Both elastic and inelastic scattering experiments were carried out on LiF, NaI, NaCl, RbCl, KBr, RbBr, RbI, CsF, CsI and with some preliminary work on NiO and MgO.

  7. Monitoring Carbon Fluxes from Shallow Surface Soils in the Critical Zone

    NASA Astrophysics Data System (ADS)

    Stielstra, C. M.; Brooks, P. D.; Chorover, J.

    2011-12-01

    The critical zone (CZ) is the earth's porous near-surface layer, characterized by the integrated processes that occur between the bedrock and the atmospheric boundary layer. Within this area water, atmosphere, ecosystems, and soils interact on a geomorphic and geologic template. We hypothesize that CZ systems organize and evolve in response to open system fluxes of energy and mass, including meteoric inputs of radiation, water, and carbon, which can be quantified at point to watershed scales. The goal of this study is to link above-ground and below-ground carbon processes by quantifying carbon pools and fluxes from near surface soils. Soil CO2 efflux and dissolved organic carbon (DOC) are monitored over a two year period across bedrock type and vegetation type at two seasonally snow covered subalpine catchments in Arizona and New Mexico. We measure the amount of DOC present in surface soils, and install ion exchange resins at the A/B soil horizon interface to capture DOC leachate mobilized during snowmelt and summer rainfall. Throughout the summer rain and spring snowmelt seasons we monitor soil respiration of CO2. Preliminary results show that rates of gaseous carbon flux are significantly higher (p<0.05) from soils with schist bedrock (2.5 ± 0.2 gC/m2/d )than from granite bedrock (1.3 ± 0.1 gC/m2/d), and higher from healthy mixed conifer forests (1.9 ± 0.3 gC/m2/d) than from mixed conifer forests impacted by spruce budworm (1.4 ± 0.1 gC/m2/d). DOC leached from soil samples does not vary significantly with bedrock type; however, spruce budworm impacted forests have significantly higher levels of leachable DOC in surface soils (22.8 ± 4.5 gC/m2) than are found in the soils of healthy forests (10.0 ± 1.5 gC/m2) or subalpine meadows (9.1 ± 0.5 gC/m2). The results of this study will allow us to evaluate the variability of carbon fluxes with vegetation and soil type within a shallow soil carbon pool and help constrain the contributions of soil organic carbon to

  8. Exploring the free energy surface using ab initio molecular dynamics.

    PubMed

    Samanta, Amit; Morales, Miguel A; Schwegler, Eric

    2016-04-28

    Efficient exploration of configuration space and identification of metastable structures in condensed phase systems are challenging from both computational and algorithmic perspectives. In this regard, schemes that utilize a set of pre-defined order parameters to sample the relevant parts of the configuration space [L. Maragliano and E. Vanden-Eijnden, Chem. Phys. Lett. 426, 168 (2006); J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B 112, 15742 (2008)] have proved useful. Here, we demonstrate how these order-parameter aided temperature accelerated sampling schemes can be used within the Born-Oppenheimer and the Car-Parrinello frameworks of ab initio molecular dynamics to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways. We have used these methods to identify the metastable structures and reaction pathways in SiO2 and Ti. In addition, we have used the string method [W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002); L. Maragliano et al., J. Chem. Phys. 125, 024106 (2006)] within the density functional theory to study the melting pathways in the high pressure cotunnite phase of SiO2 and the hexagonal closed packed to face centered cubic phase transition in Ti. PMID:27131525

  9. Exploring the free energy surface using ab initio molecular dynamics

    NASA Astrophysics Data System (ADS)

    Samanta, Amit; Morales, Miguel A.; Schwegler, Eric

    2016-04-01

    Efficient exploration of configuration space and identification of metastable structures in condensed phase systems are challenging from both computational and algorithmic perspectives. In this regard, schemes that utilize a set of pre-defined order parameters to sample the relevant parts of the configuration space [L. Maragliano and E. Vanden-Eijnden, Chem. Phys. Lett. 426, 168 (2006); J. B. Abrams and M. E. Tuckerman, J. Phys. Chem. B 112, 15742 (2008)] have proved useful. Here, we demonstrate how these order-parameter aided temperature accelerated sampling schemes can be used within the Born-Oppenheimer and the Car-Parrinello frameworks of ab initio molecular dynamics to efficiently and systematically explore free energy surfaces, and search for metastable states and reaction pathways. We have used these methods to identify the metastable structures and reaction pathways in SiO2 and Ti. In addition, we have used the string method [W. E, W. Ren, and E. Vanden-Eijnden, Phys. Rev. B 66, 052301 (2002); L. Maragliano et al., J. Chem. Phys. 125, 024106 (2006)] within the density functional theory to study the melting pathways in the high pressure cotunnite phase of SiO2 and the hexagonal closed packed to face centered cubic phase transition in Ti.

  10. Nonlinear dynamics and breakup of free-surface flows

    SciTech Connect

    Eggers, J.

    1997-07-01

    Surface-tension-driven flows and, in particular, their tendency to decay spontaneously into drops have long fascinated naturalists, the earliest systematic experiments dating back to the beginning of the 19th century. Linear stability theory governs the onset of breakup and was developed by Rayleigh, Plateau, and Maxwell. However, only recently has attention turned to the nonlinear behavior in the vicinity of the singular point where a drop separates. The increased attention is due to a number of recent and increasingly refined experiments, as well as to a host of technological applications, ranging from printing to mixing and fiber spinning. The description of drop separation becomes possible because jet motion turns out to be effectively governed by one-dimensional equations, which still contain most of the richness of the original dynamics. In addition, an attraction for physicists lies in the fact that the separation singularity is governed by universal scaling laws, which constitute an asymptotic solution of the Navier-Stokes equation before and after breakup. The Navier-Stokes equation is thus continued uniquely through the singularity. At high viscosities, a series of noise-driven instabilities has been observed, which are a nested superposition of singularities of the same universal form. At low viscosities, there is rich scaling behavior in addition to aesthetically pleasing breakup patterns driven by capillary waves. The author reviews the theoretical development of this field alongside recent experimental work, and outlines unsolved problems. {copyright} {ital 1997} {ital The American Physical Society}

  11. 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

  12. The Dynamics of Near-Surface Dust on Airless Bodies

    NASA Astrophysics Data System (ADS)

    Hartzell, Christine M.

    The behavior of dust particles under the influence of electrostatic forces has been investigated near the surface of asteroids and the Moon. Dust particle motion on airless bodies has important implications for our understanding of the evolution of these bodies as well as the design of future exploration vehicles. Electrostatically-dominated dust motion has been hypothesized to cause the observed Lunar Horizon Glow and dust ponds on the asteroid Eros. The first major contribution of this thesis is the identification of the electric field strength required in order to electrostatically loft dust particles off the surface of the Moon and asteroids Eros and Itokawa, taking into account the gravity of the body (assumed to be spherical) and the cohesion between dust grains (assumed to have the material properties of lunar regolith). In order to solve for the electric field strength required as a function of dust particle size (assumed to be spherical), we assumed that the charge on the dust particle was given by Gauss' law. It can be seen that it is easiest to launch intermediate-sized particles, rather than the submicron-micron sized particles that have been previously considered due to the dominance of cohesion for small particle sizes. Additionally, the electric field strength required to loft particles is orders of magnitude larger than is likely to be present in situ, unless grain charging is amplified beyond the levels predicted by Gauss' law. The significance of cohesion in electrostatic dust lofting has also been demonstrated experimentally. Piles of uniformly sized dust grains are placed on a biased conducting plate in a plasma. We see that the pile of 15 micron dust spreads more than piles of 5, 10, 20, and 25 micron dust grains. This observation confirms our theory-based prediction of the importance of cohesion for small grain sizes. The experimental proof presented also has implications for interpretations of horizon glow observations and

  13. Mercury methylation dynamics in estuarine and coastal marine environments — A critical review

    NASA Astrophysics Data System (ADS)

    Merritt, Karen A.; Amirbahman, Aria

    2009-09-01

    Considerable recent research has focused on methylmercury (MeHg) cycling within estuarine and coastal marine environments. Because MeHg represents a potent neurotoxin that may magnify in marine foodwebs, it is important to understand the mechanisms and environmental variables that drive or constrain methylation dynamics in these environments. This critical review article explores the mechanisms hypothesized to influence aqueous phase and sediment solid phase MeHg concentrations and depth-specific inorganic Hg (II) (Hg i) methylation rates (MMR) within estuarine and coastal marine environments, and discusses issues of terminology or methodology that complicate mechanism-oriented interpretation of field and laboratory data. Mechanisms discussed in this review article include: 1) the metabolic activity of sulfate reducing bacteria (SRB), the microbial group thought to dominate mercury methylation in these environments; 2) the role that Hg i concentration and/or speciation play in defining depth-specific Hg i methylation rates; and 3) the depth-dependent balance between MeHg production and consumption within the sedimentary environment. As discussed in this critical review article, the hypothesis of SRB community control on the Hg i methylation rate in estuarine and coastal marine environments is broadly supported by the literature. Although Hg i speciation, as a function of porewater inorganic sulfide and/or dissolved organic matter concentration and/or pH, may also play a role in observed variations in MMR, the nature and function of the controlling ligand(s) has not yet been adequately defined. Furthermore, although it is generally recognized that the processes responsible for MeHg production and consumption overlap spatially and/or kinetically in the sedimentary environment, and likely dictate the extent to which MeHg accumulates in the aqueous and/or sediment solid phase, this conceptual interpretation requires refinement, and would benefit greatly from the

  14. LDEF (Prelaunch), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Solar

    NASA Technical Reports Server (NTRS)

    1984-01-01

    LDEF (Prelaunch), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Solar Cells Developed in Germany, Tray E03 The prelaunch photograph provides a view of the two (2) experiments located in a six (6) inch LDEF experiment tray. The A0187-02 is located in the right two thirds (2/3rd) of the tray and the EECC containing the S1002 experiment occupies the remaining section. The tan colored strips on the tray flanges are protective coatings that are removed prior to tray testing. S1002 - The Effects on Coatings and Solar Cells experiment is contained within the Experiment Exposure Control Canister (EECC) that is located in the left one third (1/3rd) of the experiment tray. The EECC hardware consists of the housing, the drawer that contains the experiment samples, the drawer opening and closing mechanism (a screw drive system) and chromic anodized aluminum thermal covers that are seen in the photograph. The hardware is fabricated from aluminum or non-magnetic steels and is assembled with non-magnetic stainless steel fasteners. The canister will be opened in orbit after the LDEF has been deployed, the Orbiter has departed and initial outgassing of materials on the LDEF has occurred. The canister is programmed to close approximately nine (9) months after opening and prior to the scheduled LDEF retrieval. Experiment samples located in the EECC consist of Second Surface Mirrors (SSM), SSM with Interference Filters (SSM/IF), SSM/IF with a Conductive Layer (SSM/IF/LS, Optical Solar Reflectors (OSR), Quartz Crystal Microbalance (QCM), Coatings and Solar Cell Modules of the types flown on the GEOS and OTS satellites.

  15. Conserved Regions of Gonococcal TbpB Are Critical for Surface Exposure and Transferrin Iron Utilization

    PubMed Central

    Ostberg, Karen L.; DeRocco, Amanda J.; Mistry, Shreni D.; Dickinson, Mary Kathryne

    2013-01-01

    The transferrin-binding proteins TbpA and TbpB enable Neisseria gonorrhoeae to obtain iron from human transferrin. The lipoprotein TbpB facilitates, but is not strictly required for, TbpA-mediated iron acquisition. The goal of the current study was to determine the contribution of two conserved regions within TbpB to the function of this protein. Using site-directed mutagenesis, the first mutation we constructed replaced the lipobox (LSAC) of TbpB with a signal I peptidase cleavage site (LAAA), while the second mutation deleted a conserved stretch of glycine residues immediately downstream of the lipobox. We then evaluated the resulting mutants for effects on TbpB expression, surface exposure, and transferrin iron utilization. Western blot analysis and palmitate labeling indicated that the lipobox, but not the glycine-rich motif, is required for lipidation of TbpB and tethering to the outer membrane. TbpB was released into the supernatant by the mutant that produces TbpB LSAC. Neither mutation disrupted the transport of TbpB across the bacterial cell envelope. When these mutant TbpB proteins were produced in a strain expressing a form of TbpA that requires TbpB for iron acquisition, growth on transferrin was either abrogated or dramatically diminished. We conclude that surface tethering of TbpB is required for optimal performance of the transferrin iron acquisition system, while the presence of the polyglycine stretch near the amino terminus of TbpB contributes significantly to transferrin iron transport function. Overall, these results provide important insights into the functional roles of two conserved motifs of TbpB, enhancing our understanding of this critical iron uptake system. PMID:23836816

  16. Identifying a Core RNA Polymerase Surface Critical for Interactions with a Sigma-Like Specificity Factor

    PubMed Central

    Cliften, Paul F.; Jang, Sei-Heon; Jaehning, Judith A.

    2000-01-01

    Cyclic interactions occurring between a core RNA polymerase (RNAP) and its initiation factors are critical for transcription initiation, but little is known about subunit interaction. In this work we have identified regions of the single-subunit yeast mitochondrial RNAP (Rpo41p) important for interaction with its sigma-like specificity factor (Mtf1p). Previously we found that the whole folded structure of both polypeptides as well as specific amino acids in at least three regions of Mtf1p are required for interaction. In this work we started with an interaction-defective point mutant in Mtf1p (V135A) and used a two-hybrid selection to isolate suppressing mutations in the core polymerase. We identified suppressors in three separate regions of the RNAP which, when modeled on the structure of the closely related phage T7 RNAP, appear to lie on one surface of the protein. Additional point mutations and biochemical assays were used to confirm the importance of each region for Rpo41p-Mtf1p interactions. Remarkably, two of the three suppressors are found in regions required by T7 RNAP for DNA sequence recognition and promoter melting. Although these essential regions of the phage RNAP are poorly conserved with the mitochondrial RNAPs, they are conserved among the mitochondrial enzymes. The organellar RNAPs appear to use this surface in an alternative way for interactions with their separate sigma-like specificity factor, which, like its bacterial counterpart, provides promoter recognition and DNA melting functions to the holoenzyme. PMID:10958696

  17. Stability and transient dynamics of thin liquid films flowing over locally heated surfaces.

    PubMed

    Tiwari, Naveen; Mester, Zoltan; Davis, Jeffrey M

    2007-11-01

    The dynamics and linear stability of a liquid film flowing over a locally heated surface are studied using a long-wave lubrication analysis. The temperature gradient at the leading edge of the heater induces a gradient in surface tension that opposes the gravitationally driven flow and leads to the formation of a pronounced capillary ridge. The resulting free-surface shapes are computed, and their stability to spanwise perturbations is analyzed for a range of Marangoni numbers, substrate inclination angles, and temperature profiles. Instability is predicted above a critical Marangoni number for a finite band of wave numbers separated from zero, which is consistent with published results from experiment and direct numerical simulation. An energy analysis is used to gain insight into the effect of inclination angle on the instability. Because the spatial nonuniformity of the base state gives rise to nonnormal linearized operators that govern the evolution of perturbations, a nonmodal, transient analysis is used to determine the maximum amplification of small perturbations to the film. The structure of optimal perturbations of different wave numbers is computed to elucidate the regions of the film that are most sensitive to perturbations, which provides insight into ways to stabilize the flow. The results of this analysis are contrasted to those for noninertial coating flows over substrates with topographical features, which exhibit similar capillary ridges but are strongly stable to perturbations. PMID:18233755

  18. Validation of a Laboratory Method for Evaluating Dynamic Properties of Reconstructed Equine Racetrack Surfaces

    PubMed Central

    Setterbo, Jacob J.; Chau, Anh; Fyhrie, Patricia B.; Hubbard, Mont; Upadhyaya, Shrini K.; Symons, Jennifer E.; Stover, Susan M.

    2012-01-01

    Background Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior. Objective To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties. Methods Track-testing device (TTD) impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack) and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression. Results Most dynamic surface property setting differences (racetrack-laboratory) were small relative to surface material type differences (dirt-synthetic). Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces. Conclusions Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof impact (TTD

  19. STRUCTURAL DYNAMICS OF METAL PARTITIONING TO MINERAL SURFACES

    EPA Science Inventory

    The conceptual understanding of surface complexation reactions that control trace element partitioning to mineral surfaces is limited by the assumption that the solid reactant possesses a finite, time-invariant population of surface functional groups. This assumption has limited...

  20. Dynamic nanoproteins: self-assembled peptide surfaces on monolayer protected gold nanoparticles.

    PubMed

    Garcia Martin, Sergio; Prins, Leonard J

    2016-07-19

    Here, we demonstrate the formation of dynamic peptide surfaces through the self-assembly of small peptides on the surface of monolayer protected gold nanoparticles. The complexity of the peptide surface can be simply tuned by changing the chemical nature of the added peptides and the ratio in which these are added. The dynamic nature of the surface permits adaptation to changes in the environment. PMID:27374419

  1. Dynamic criticality far from equilibrium: One-loop flow of Burgers-Kardar-Parisi-Zhang systems with broken Galilean invariance.

    PubMed

    Strack, Philipp

    2015-03-01

    Burgers-Kardar-Parisi-Zhang (KPZ) scaling has recently (re-) surfaced in a variety of physical contexts, ranging from anharmonic chains to quantum systems such as open superfluids, in which a variety of random forces may be encountered and/or engineered. Motivated by these developments, we here provide a generalization of the KPZ universality class to situations with long-ranged temporal correlations in the noise, which purposefully break the Galilean invariance that is central to the conventional KPZ solution. We compute the phase diagram and critical exponents of the KPZ equation with 1/f noise (KPZ1/f) in spatial dimensions 1≤d<4 using the dynamic renormalization group with a frequency cutoff technique in a one-loop truncation. Distinct features of KPZ1/f are (i) a generically scale-invariant, rough phase at high noise levels that violates fluctuation-dissipation relations and exhibits hyperthermal statistics even in d=1, (ii) a fine-tuned roughening transition at which the flow fulfills an emergent thermal-like fluctuation-dissipation relation, that separates the rough phase from (iii) a massive phase in 1

  2. LDEF (Flight), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Solar Ce

    NASA Technical Reports Server (NTRS)

    1990-01-01

    LDEF (Flight), S1002 : Investigation of Critical Surface Degradation Effects on Coating and Solar Cells Developed in Germany, Tray E03 The flight photograph was taken while the LDEF was attached to the Orbiter's RMS arm prior to berthing in the Orbiter's cargo bay. The capture cells of experiment A0187-02 are in the left two thirdsThe Experiment Exposure Control Canister containing experiment S1002 is the item located in the right one third section of the tray. The EECC is closed with the S1002 experiments inside. The EECC hardware is intact and appears to be in very good shape. The material on the corners of the thermal cover, near the center of the tray, is layers of tape used to blunt corners of the cover that could possibly snag an astronaut's suit if brushed during an EVA. The tape layers seem to have separated but are still attached and remain in place. The brown stain coats the exposed tray sidewall, the base plate in the tray bottom, the lead screw and the thermal covers. Two (2) Impact craters are located near the center of the base plate, another is located between the two (2) lower screws on the support rail at the right bottom edge of the tray. An impact crater appears as a white dot on the darker background. Additional craters are visible on the EECC aluminum thermal covers, the tray flanges and the LDEF structure.

  3. Critical currents, vortex dynamics and microstructure in MgB[sub 2].

    SciTech Connect

    Serquis, A.; Civale, L.; Liao, Xiaozhou; Maley, M. P.; Zhu, Y. T.; Nesterenko, V. F.; Peterson, D. E.; Mueller, F. M.

    2002-01-01

    One key issue in optimizing critical current density (J,) in MgB2 is to determine which structural features are the relevant pinning centers. Likely sources of vortex pinning include grain boundaries and intra-grain defects. Detailed studies of the field (H) and temperature (T) dependence of pinning in microstructurally well-characterized samples are required to clarify this point. In this work we explore the influence of microstructures on the vortex dynamics of MgB2 bulk samples prepared either at ambient or at high pressure (HIP). Scanning and transmission electron microscopy indicate the presence of several types of defects. Both un-HIPed and HIPed samples contain a large number of intra-grain Mg(B,0)2 precipitates coherent with the matrix, with sizes ranging from 5 nm to 100 nm, which are very well suited to act as pinning centers. The HIP process further improves flux pinning by eliminating the porosity, dispersing the MgO present at the grain boundaries of the un-HIPed samples, and generating dislocations. We also present a detailed study of the T, H and current density (J) dependence of the normalized time relaxation rate, S=dlnJ/dlnt. The intermediate transition temperature T, - 39K makes MgB2 attractive for exploring vortex dynamics in a regime of intermediate influence of thermal fluctuations. At low T, we observe a linear S(T), from which we extract a pinning energy U, that is weakly T dependent and decreases monotonically with H. The extrapolations to T=O indicate that the quantum creep rate is small. At higher T, the activation energy U(J) shows the divergent behavior at J -> 0 that characterizes the glassy phases. The results are contrasted with the expectations of various collective creep scenarios to extract information on the characteristics of the pinning centers.

  4. Identifying Differences and Similarities in Static and Dynamic Contact Angles between Nanoscale and Microscale Textured Surfaces Using Molecular Dynamics Simulations.

    PubMed

    Slovin, Mitchell R; Shirts, Michael R

    2015-07-28

    We quantify some of the effects of patterned nanoscale surface texture on static contact angles, dynamic contact angles, and dynamic contact angle hysteresis using molecular dynamics simulations of a moving Lennard-Jones droplet in contact with a solid surface. We observe static contact angles that change with the introduction of surface texture in a manner consistent with theoretical and experimental expectations. However, we find that the introduction of nanoscale surface texture at the length scale of 5-10 times the fluid particle size does not affect dynamic contact angle hysteresis even though it changes both the advancing and receding contact angles significantly. This result differs significantly from microscale experimental results where dynamic contact angle hysteresis decreases with the addition of surface texture due to an increase in the receding contact angle. Instead, we find that molecular-kinetic theory, previously applied only to nonpatterned surfaces, accurately describes dynamic contact angle and dynamic contact angle hysteresis behavior as a function of terminal fluid velocity. Therefore, at length scales of tens of nanometers, the kinetic phenomena such as contact line pinning observed at larger scales become insignificant in comparison to the effects of molecular fluctuations for moving droplets, even though the static properties are essentially scale-invariant. These findings may have implications for the design of highly hierarchical structures with particular wetting properties. We also find that quantitatively determining the trends observed in this article requires the careful selection of system and analysis parameters in order to achieve sufficient accuracy and precision in calculated contact angles. Therefore, we provide a detailed description of our two-surface, circular-fit approach to calculating static and dynamic contact angles on surfaces with nanoscale texturing. PMID:26110823

  5. Rotational reorientation dynamics of Aerosol-OT reverse micelles formed in near-critical propane

    SciTech Connect

    Heitz, M.P.; Bright, F.V.

    1996-06-01

    The rotational reorientation kinetics of two fluorescent solutes (rhodamine 6G, R6G, and rhodamine 101, R101) have been determined in sodium bis(2-ethylhexyl) sulfosuccinate (Aerosol-OT, AOT) reverse micelles formed in liquid and near-critical propane. We show that the amount of water loading ([water]/[AOT], R), continuous phase density, and temperature all influence the solute rotational dynamics. In all cases, the decay of anisotropy data (i.e., frequency-dependent differential polarized phase angle and polarized modulation ratio) are well described by a bi-exponential decay law. We find that the faster rotational correlation times are similar to but slightly less than the values predicted for an individual AOT reverse micelle rotating in propane. The recovered rotational correlation times range from 200 to 500 ps depending on experimental conditions. This faster rotational process is explained in terms of lateral diffusion of the fluorophore along the water/headgroup interfacial region within the reverse micelle. The recovered values for the slower rotational correlation times range from 7 to 18 ns. These larger rotational reorientation times are assigned to varying micelle-micelle (i.e., tail-tail) interactions in the low-density, highly compressible fluid region. We also quantify the contribution of the reverse micellar {open_quotes}aggregate{close_quotes} to the total decay of anisotropy. {copyright} {ital 1996} {ital Society for Applied Spectroscopy}

  6. Critical evaluation of the unsteady aerodynamics approach to dynamic stability at high angles of attack

    NASA Technical Reports Server (NTRS)

    Hui, W. H.

    1985-01-01

    Bifurcation theory is used to analyze the nonlinear dynamic stability characteristics of an aircraft subject to single-degree-of-freedom. The requisite moment of the aerodynamic forces in the equations of motion is shown to be representable in a form equivalent to the response to finite amplitude oscillations. It is shown how this information can be deduced from the case of infinitesimal-amplitude oscillations. The bifurcation theory analysis reveals that when the bifurcation parameter is increased beyond a critical value at which the aerodynamic damping vanishes, new solutions representing finite amplitude periodic motions bifurcate from the previously stable steady motion. The sign of a simple criterion, cast in terms of aerodynamic properties, determines whether the bifurcating solutions are stable or unstable. For the pitching motion of flat-plate airfoils flying at supersonic/hypersonic speed and for oscillation of flaps at transonic speed, the bifurcation is subcritical, implying either the exchanges of stability between steady and periodic motion are accompanied by hysteresis phenomena, or that potentially large aperiodic departures from steady motion may develop.

  7. Critical Currents, Vortex Dynamics and Microstructure in MgB_2

    NASA Astrophysics Data System (ADS)

    Serquis, Adriana; Civale, Leonardo; Liao, Xiazhou; Maley, Martin; Zhu, Yuntian; Peterson, Dean; Mueller, Fred

    2003-03-01

    One key issue in optimizing critical current density in MgB2 is to determine which structural features are the relevant pinning centers. In this work we explore the influence of microstructures on the vortex dynamics of bulk samples prepared either at ambient or at high isostatic pressure (HIP). Several types of defects were observed by electron microscopy. Both un-HIPed and HIPed samples contain a large number of intra-grain Mg(B,O) 2 precipitates coherent with the matrix, with sizes very well suited to act as pinning centers (5 - 100 nm). The HIP process further improves flux pinning by eliminating porosity and generating dislocations. We also present a detailed study of the temperature T, field H and current density J dependence of the normalized time (t) relaxation rate, S=dlnJ/dlnt. At low T, we observe a linear S(T), from which we extract a pinning energy Uc that is weakly T dependent and decreases monotonically with H. The extrapolations to T=0 indicate that the quantum creep rate is small. At higher T, the activation energy U(J) shows the divergent behavior at J -> 0 that characterizes the glassy phases. Results are contrasted with the expectations of various collective creep scenarios to extract information on the characteristics of the pinning centers.

  8. Dynamic Critical Rainfall-Based Flash Flood Early Warning and Forecasting for Medium-Small Rivers

    NASA Astrophysics Data System (ADS)

    Liu, Z.; Yang, D.; Hu, J.

    2012-04-01

    China is extremely frequent food disasters hit countries, annual flood season flash floods triggered by rainfall, mudslides, landslides have caused heavy casualties and property losses, not only serious threaten the lives of the masses, but the majority of seriously restricting the mountain hill areas of economic and social development and the people become rich, of building a moderately prosperous society goals. In the next few years, China will focus on prevention and control area in the flash flood disasters initially built "for the surveillance, communications, forecasting, early warning and other non-engineering measure based, non-engineering measures and the combinations of engineering measures," the mitigation system. The latest progresses on global torrential flood early warning and forecasting techniques are reviewed in this paper, and then an early warning and forecasting approach is proposed on the basis of a distributed hydrological model according to dynamic critical rainfall index. This approach has been applied in Suichuanjiang River basin in Jiangxi province, which is expected to provide valuable reference for building a national flash flood early warning and forecasting system as well as control of such flooding.

  9. Study of spatio-temporal dynamics of laser-hole boring in near critical plasma

    NASA Astrophysics Data System (ADS)

    Tochitsky, Sergei; Gong, Chao; Fiuza, Frederico; Pigeon, Jeremy; Joshi, Chan

    2015-11-01

    At high-intensities of light, radiation pressure becomes one of the dominant mechanisms in laser-plasma interaction. The radiation pressure of an intense laser pulse can steepen and push the critical density region of an overdense plasma creating a cavity or a hole. This hole boring phenomenon is of importance in fast-ignition fusion, high-gradient laser-plasma ion acceleration, and formation of collisionless shocks. Here multi-frame picosecond optical interferometry is used for the first direct measurements of space and time dynamics of the density cavity as it is pushed forward by a train of CO2 laser pulses in a helium plasma. The measured values of the hole boring velocity into an overdense plasma as a function of laser intensity are consistent with a theory based on energy and momentum balance between the heated plasma and the laser and with two-dimensional numerical simulations. We show possibility to extract a relative plasma electron temperature within the laser pulse by applying an analytical theory to the measured hole boring velocities. This work was supported by DOE grant DE-SC0010064.

  10. Mitochondrial structure and dynamics as critical factors in honey bee (Apis mellifera L.) caste development.

    PubMed

    Santos, Douglas Elias; Alberici, Luciane Carla; Hartfelder, Klaus

    2016-06-01

    The relationship between nutrition and phenotype is an especially challenging question in cases of facultative polyphenism, like the castes of social insects. In the honey bee, Apis mellifera, unexpected modifications in conserved signaling pathways revealed the hypoxia response as a possible mechanism underlying the regulation of body size and organ growth. Hence, the current study was designed to investigate possible causes of why the three hypoxia core genes are overexpressed in worker larvae. Parting from the hypothesis that this has an endogenous cause and is not due to differences in external oxygen levels we investigated mitochondrial numbers and distribution, as well as mitochondrial oxygen consumption rates in fat body cells of queen and worker larvae during the caste fate-critical larval stages. By immunofluorescence and electron microscopy we found higher densities of mitochondria in queen larval fat body, a finding further confirmed by a citrate synthase assay quantifying mitochondrial functional units. Oxygen consumption measurements by high-resolution respirometry revealed that queen larvae have higher maximum capacities of ATP production at lower physiological demand. Finally, the expression analysis of mitogenesis-related factors showed that the honey bee TFB1 and TFB2 homologs, and a nutritional regulator, ERR, are overexpressed in queen larvae. These results are strong evidence that the differential nutrition of queen and worker larvae by nurse bees affects mitochondrial dynamics and functionality in the fat body of these larvae, hence explaining their differential hypoxia response. PMID:27058771

  11. Dynamics of groundwater-surface water interactions in urban streams

    NASA Astrophysics Data System (ADS)

    Musolff, A.; Schmidt, C.; Fleckenstein, J. H.

    2010-12-01

    In industrialized countries the majority of streams and rivers have been subject to changes in the hydrological regime and alteration of the channel morphology. Urban streams are typically characterized by “flashier” hydrographs as a result of more direct runoff from impervious surfaces. Channel structure and complexity are often impaired compared to pristine streams. As a consequence the potential for bedform-driven water flow in the streambed is reduced. The downward transport of oxygen by advective flow in the streambed is known to be of great ecological importance for the hyporheic macro and micro fauna and facilitates nutrient cycling and the degradation of organic pollutants. We studied the dynamics of groundwater-surface water exchange of two anthropogenically impacted streams in urban areas to examine the effects of variable hydrologic boundary conditions on water flux and redox conditions in the streambed. The first stream is fed by groundwater as well as storm-water from a large industrial area. Here, we monitored the variability of vertical hydraulic gradients, streambed temperature and redox conditions in the streambed over the course of 5 months. The second stream is frequently polluted by combined sewer overflows (CSO) from an urban watershed. Here, we measured the vertical hydraulic gradients, streambed temperature and electrical conductivity (EC) in the stream, the streambed and in the adjacent aquifer. Both streams are characterized by strong variations in hydraulic gradients due to the dynamic hydrographs as well as the variations in total head in the shallow aquifer. Therefore, magnitude and direction of water flux through the streambed changed significantly over time. At the first site long-term variations of redox conditions in the shallow streambed (0.1 m) were related to the direction of water fluxes. Downward water flow resulted in increased redox potentials. However, the high short-term variability of redox conditions could not be

  12. Static and dynamic light scattering in nonionic critical micellar solutions of water-pentaethylene glycol n-dodecylether

    NASA Astrophysics Data System (ADS)

    Hamano, K.; Fukuhara, K.; Kuwahara, N.; Ducros, E.; Benseddik, M.; Rouch, J.; Tartaglia, P.

    1995-07-01

    Extensive sets of measurements of the shear viscosity, the scattered light intensity, and the relaxation rate of the order-parameter fluctuations lead us to reexamine the static and dynamic critical behaviors of binary solutions of pentaethylene glycol n-dodecylether (C12E5) and water. The scattered intensity, the scattered field correlation function, and the relaxation rate of the order parameter show systematic deviations from the behavior usually observed for simple or molecular binary fluids. A modified version of the Sorensen et al. [Phys. Rev. A 13, 1593 (1976)] dynamical droplet model that assumes that close to the critical point the critical clusters can be treated much like percolating aggregates having a fractal dimension df=2.49 and an associated polydispersity exponent τ=2.21 and which includes the finite size of the micelles, very well accounts for all our experimental results.

  13. Microscopic Receding Contact Line Dynamics on Pillar and Irregular Superhydrophobic Surfaces

    PubMed Central

    Yeong, Yong Han; Milionis, Athanasios; Loth, Eric; Bayer, Ilker S.

    2015-01-01

    Receding angles have been shown to have great significance when designing a superhydrophobic surface for applications involving self-cleaning. Although apparent receding angles under dynamic conditions have been well studied, the microscopic receding contact line dynamics are not well understood. Therefore, experiments were performed to measure these dynamics on textured square pillar and irregular superhydrophobic surfaces at micron length scales and at micro-second temporal scales. Results revealed a consistent “slide-snap” motion of the microscopic receding line as compared to the “stick-slip” dynamics reported in previous studies. Interface angles between 40–60° were measured for the pre-snap receding lines on all pillar surfaces. Similar “slide-snap” dynamics were also observed on an irregular nanocomposite surface. However, the sharper features of the surface asperities resulted in a higher pre-snap receding line interface angle (~90°). PMID:25670630

  14. Assessment of Zero Power Critical Experiments and Needs for a Fission Surface Power System

    SciTech Connect

    Jim R Parry; John Darrell bess; Brad T. Rearden; Gary A. Harms

    2009-06-01

    The National Aeronautics and Space Administration (NASA) is providing funding to the Department of Energy (DOE) to assess, develop, and test nuclear technologies that could provide surface power to a lunar outpost. Sufficient testing of this fission surface power (FSP) system will need to be completed to enable a decision by NASA for flight development. The near-term goal for the FSP work is to conduct the minimum amount of testing needed to validate the system performance within an acceptable risk. This report attempts to assess the current modeling capabilities and quantify any bias associated with the modeling methods for designing the nuclear reactor. The baseline FSP system is a sodium-potassium (NaK) cooled, fast spectrum reactor with 93% 235U enriched HEU-O2 fuel, SS316 cladding, and beryllium reflectors with B4C control drums. The FSP is to produce approximately 40 kWe net power with a lifetime of at least 8 years at full power. A flight-ready FSP is to be ready for launch and deployment by 2020. Existing benchmarks from the International Criticality Safety Benchmark Evaluation Program (ICSBEP) were reviewed and modeled in MCNP. An average bias of less than 0.6% was determined using the ENDF/B-VII cross-section libraries except in the case of subcritical experiments, which exhibited an average bias of approximately 1.5%. The bias increases with increasing reflector worth of the beryllium. The uncertainties and sensitivities in cross section data for the FSP model and ZPPR-20 configurations were assessed using TSUNAMI-3D. The cross-section covariance uncertainty in the FSP model was calculated as 2.09%, which was dominated by the uncertainty in the 235U(n,?) reactions. Global integral indices were generated in TSUNAMI-IP using pre-release SCALE 6 cross-section covariance data. The ZPPR-20 benchmark models exhibit strong similarity with the FSP model. A penalty assessment was performed to determine the degree of which the FSP model could not be characterized

  15. 2011 Dynamics at Surfaces Gordon Research Conference (August 7-12, 2011, Salve Regina University, Newport, Rhode Island)

    SciTech Connect

    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 at 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.

  16. Free surface liquid films of binary mixtures. Two-dimensional steady structures at off-critical compositions

    NASA Astrophysics Data System (ADS)

    Bribesh, Fathi A. M.; Madruga, Santiago

    2016-03-01

    We present steady non-linear solutions of films of confined polymer blends deposited on a solid substrate at off-critical concentrations with a free deformable surface. The solutions are obtained numerically using a variational form of the Cahn-Hilliard equation in the static limit, which allows for internal diffuse interfaces between the two components of the mixture. Existence of most of the branches of non-linear solutions at off-critical concentrations can be predicted from the knowledge of the branching points obtained with a linear stability analysis plus the non-linear solutions at critical concentrations. However, some families of solutions are found not to have correspondence at critical compositions. We take a value for surface tension that allows strong deformations at the sharp free upper surface. Varying the average composition and the length and thickness of the films we find a rich morphology of static films in the form of laterally structure films, layered films, droplets on the substrate, droplets at the free surface, and checkerboard structures. We show that laterally structured solutions are energetically favorable over homogeneous and other structured solutions within the whole spinodal region and even close to the absolute stability binodal boundary.

  17. A critical review on the survival and elimination of norovirus in food and on food contact surfaces

    Technology Transfer Automated Retrieval System (TEKTRAN)

    This critical review covers the survival of human norovirus (NoV) in foods and on food contact surfaces as well as the state-of-the-art on the effectiveness of methods to eliminate these viruses. Virus survival studies are reviewed for water, soils and organic wastes, on fomites, hands, fruits and v...

  18. 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.

  19. 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, №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

  20. Mapping Carrier Dynamics on Material Surfaces in Space and Time using Scanning Ultrafast Electron Microscopy.

    PubMed

    Sun, Jingya; Adhikari, Aniruddha; Shaheen, Basamat S; Yang, Haoze; Mohammed, Omar F

    2016-03-17

    Selectively capturing the ultrafast dynamics of charge carriers on materials surfaces and at interfaces is crucial to the design of solar cells and optoelectronic devices. Despite extensive research efforts over the past few decades, information and understanding about surface-dynamical processes, including carrier trapping and recombination remains extremely limited. A key challenge is to selectively map such dynamic processes, a capability that is hitherto impractical by time-resolved laser techniques, which are limited by the laser's relatively large penetration depth and consequently these techniques record mainly bulk information. Such surface dynamics can only be mapped in real space and time by applying four-dimensional (4D) scanning ultrafast electron microscopy (S-UEM), which records snapshots of materials surfaces with nanometer spatial and subpicosecond temporal resolutions. In this method, the secondary electron (SE) signal emitted from the sample's surface is extremely sensitive to the surface dynamics and is detected in real time. In several unique applications, we spatially and temporally visualize the SE energy gain and loss, the charge carrier dynamics on the surface of InGaN nanowires and CdSe single crystal and its powder film. We also discuss the mechanisms for the observed dynamics, which will be the foundation for future potential applications of S-UEM to a wide range of studies on material surfaces and device interfaces. PMID:26911313

  1. Segmental dynamics simulation of the deformation for polymer adhesive between surfaces

    SciTech Connect

    Lee, K.; Adams, J.B.

    1996-12-31

    The deformation of polymer adhesives between surfaces is investigated using the authors Segmental Dynamics Model. A simple tensile test is simulated by placing an equilibrated polymer adhesive film between two surfaces. The equilibrium structure and dynamics of the adhesive deformation are investigated. The density of anchor segments ({rho}) and the bond strength of the anchor segment to the surface ({phi}) were varied to determine the effects on deformation.

  2. Poverty alleviation strategies in eastern China lead to critical ecological dynamics.

    PubMed

    Zhang, Ke; Dearing, John A; Dawson, Terence P; Dong, Xuhui; Yang, Xiangdong; Zhang, Weiguo

    2015-02-15

    Poverty alleviation linked to agricultural intensification has been achieved in many regions but there is often only limited understanding of the impacts on ecological dynamics. A central need is to observe long term changes in regulating and supporting services as the basis for assessing the likelihood of sustainable agriculture or ecological collapse. We show how the analyses of 55 time-series of social, economic and ecological conditions can provide an evolutionary perspective for the modern Lower Yangtze River Basin region since the 1950s with powerful insights about the sustainability of modern ecosystem services. Increasing trends in provisioning ecosystem services within the region over the past 60 years reflect economic growth and successful poverty alleviation but are paralleled by steep losses in a range of regulating ecosystem services mainly since the 1980s. Increasing connectedness across the social and ecological domains after 1985 points to a greater uniformity in the drivers of the rural economy. Regime shifts and heightened levels of variability since the 1970s in local ecosystem services indicate progressive loss of resilience across the region. Of special concern are water quality services that have already passed critical transitions in several areas. Viewed collectively, our results suggest that the regional social-ecological system passed a tipping point in the late 1970s and is now in a transient phase heading towards a new steady state. However, the long-term relationship between economic growth and ecological degradation shows no sign of decoupling as demanded by the need to reverse an unsustainable trajectory. PMID:25460950

  3. A novel approach to locomotion learning: Actor-Critic architecture using central pattern generators and dynamic motor primitives

    PubMed Central

    Li, Cai; Lowe, Robert; Ziemke, Tom

    2014-01-01

    In this article, we propose an architecture of a bio-inspired controller that addresses the problem of learning different locomotion gaits for different robot morphologies. The modeling objective is split into two: baseline motion modeling and dynamics adaptation. Baseline motion modeling aims to achieve fundamental functions of a certain type of locomotion and dynamics adaptation provides a “reshaping” function for adapting the baseline motion to desired motion. Based on this assumption, a three-layer architecture is developed using central pattern generators (CPGs, a bio-inspired locomotor center for the baseline motion) and dynamic motor primitives (DMPs, a model with universal “reshaping” functions). In this article, we use this architecture with the actor-critic algorithms for finding a good “reshaping” function. In order to demonstrate the learning power of the actor-critic based architecture, we tested it on two experiments: (1) learning to crawl on a humanoid and, (2) learning to gallop on a puppy robot. Two types of actor-critic algorithms (policy search and policy gradient) are compared in order to evaluate the advantages and disadvantages of different actor-critic based learning algorithms for different morphologies. Finally, based on the analysis of the experimental results, a generic view/architecture for locomotion learning is discussed in the conclusion. PMID:25324773

  4. A novel approach to locomotion learning: Actor-Critic architecture using central pattern generators and dynamic motor primitives.

    PubMed

    Li, Cai; Lowe, Robert; Ziemke, Tom

    2014-01-01

    In this article, we propose an architecture of a bio-inspired controller that addresses the problem of learning different locomotion gaits for different robot morphologies. The modeling objective is split into two: baseline motion modeling and dynamics adaptation. Baseline motion modeling aims to achieve fundamental functions of a certain type of locomotion and dynamics adaptation provides a "reshaping" function for adapting the baseline motion to desired motion. Based on this assumption, a three-layer architecture is developed using central pattern generators (CPGs, a bio-inspired locomotor center for the baseline motion) and dynamic motor primitives (DMPs, a model with universal "reshaping" functions). In this article, we use this architecture with the actor-critic algorithms for finding a good "reshaping" function. In order to demonstrate the learning power of the actor-critic based architecture, we tested it on two experiments: (1) learning to crawl on a humanoid and, (2) learning to gallop on a puppy robot. Two types of actor-critic algorithms (policy search and policy gradient) are compared in order to evaluate the advantages and disadvantages of different actor-critic based learning algorithms for different morphologies. Finally, based on the analysis of the experimental results, a generic view/architecture for locomotion learning is discussed in the conclusion. PMID:25324773

  5. Molecular Dynamics Analysis of the Formation of Surface Roughness during Si Etching in Chlorine-Based Plasmas

    NASA Astrophysics Data System (ADS)

    Tsuda, Hirotaka; Takao, Yoshinori; Eriguchi, Koji; Ono, Kouichi

    2011-08-01

    Addition of oxygen to Cl2 discharge is widely used in Si etching for the fabrication of gate electrodes and shallow trench isolation. As the control of etching processes becomes more critical, a deeper understanding of plasma-surface interactions is required for the formation of roughened surfaces during etching. In particular, a small amount of O2 often leads to profile anomalies such as residues, micropillars, and roughened surfaces. In this study, we focus on the mechanism underlying local surface oxidation during Si etching in Cl2/O2 plasmas, and analyze the relationship between local surface oxidation and surface roughness on the nanometer scale, by a classical molecular dynamics (MD) simulation. The numerical results indicated that O radicals tend to break Si-Si bonds and distort the Si lattice structure; thus, nanometer-scale micromasks tend to be formed on convex roughened surfaces, owing to the reactivity of O radicals with substrate Si atoms and Cl atoms. The results also imply that the nanometer-scale micromasks significantly affect the formation of roughened surfaces and evolution of micropillars.

  6. The shape, stability and dynamics of elastic surfaces

    NASA Astrophysics Data System (ADS)

    Mahadevan, L.

    2008-03-01

    Bending a thin sheet is easier than stretching it, an observation which has its roots in geometry. We will use this fact to explain some unusual problems in biology, physics and geology. At the everyday scale, I will discuss the morphology of avascular algal blades, the dynamics of defects in an elastic ribbon, and the dynamics of prey capture by certain carnivorous plants. At the geological scale, I will try to explain the shape of island arcs on our planet. Finally, time permitting, I will discuss how we might extend these ideas to the macromolecular scale, to derive a mechanical model for the dynamic instability of a growing microtubule.

  7. Dynamic Analyses of Polymer Surface using Dielectric Relaxation

    NASA Astrophysics Data System (ADS)

    Ishii, Masashi

    A new dielectric relaxation measurement technique for analyses of polymer surface was developed. In this technique, in order to maintain the original surface, probing electrodes were placed away from the sample, and a liquid to stabilize the surface was filled in the space between the sample and the electrodes. From difference of dielectric relaxation between a bare polyimide and gold-coated polyimide, the surface of polyimide was characterized. The surface dielectric relaxation spectrum at room temperature depended on the liquid species: The Debye relaxation was obtained for ethanol, while multiple-relaxation was observed for ultrapure water. A thermal activation process of the polyimide surface was investigated using temperature-controlled ultrapure water, and it was found that the surface transited from the multiple-relaxation to the Debye relaxation at ∼95°C. In the Debye relaxation condition, the surface can be characterized with a capacitance independent of the liquid species. The capacitance estimated at 110 pF provided a characteristic curve of the polyimide surface. A surface model was proposed to explain the thermal activation process.

  8. Ion-induced electron emission from surfaces: Dynamical screening effects

    SciTech Connect

    Kouzakov, Konstantin A.; Berakdar, Jamal

    2003-08-01

    A theoretical model is developed for the description of the single-electron emission from surfaces following the impact of fast ions. The theory describes quantum mechanically the ion reflection at the surface and the excitation of the valence band electrons via an ion-electron interaction renormalized by the dielectric response of the target. Numerical calculations are presented and analyzed for the electron emission from the conduction band of an aluminum surface upon proton impact. Particular attention is devoted to the influence of the dielectric screening on the energy distributions and the angular distributions of the ejected electrons. In addition, the role of the surface electronic structure is studied.

  9. Photochemical dynamics of surface oriented molecules. Progress report, August 1, 1991--July 31, 1992

    SciTech Connect

    Ho, W.

    1992-09-01

    The period 8/01/91-7/31/92 is the first year of a new project titled ``Photochemical Dynamics of Surface Oriented Molecules``, initiated with DOE Support. The main objective of this project is to understand the dynamics of elementary chemical reactions by studying photochemical dynamics of surface-oriented molecules. In addition, the mechanisms of photon-surface interactions need to be elucidated. The strategy is to carry out experiments to measure the translational energy distribution, as a function of the angle from the surface normal, of the photoproducts by time-of-flight (TOF) technique by varying the photon wavelength, intensity, polarization, and pulse duration. By choosing adsorbates with different bonding configuration, the effects of adsorbate orientation on surface photochemical dynamics can be studied.

  10. Dynamical surface affinity of diphasic liquids as a probe of wettability of multimodal porous media.

    PubMed

    Korb, J-P; Freiman, G; Nicot, B; Ligneul, P

    2009-12-01

    We introduce a method for estimating the wettability of rock/oil/brine systems using noninvasive in situ nuclear magnetic relaxation dispersion. This technique scans over a large range of applied magnetic fields and yields unique information about the extent to which a fluid is dynamically correlated with a solid rock surface. Unlike conventional transverse relaxation studies, this approach is a direct probe of the dynamical surface affinity of fluids. To quantify these features we introduce a microscopic dynamical surface affinity index which measures the dynamical correlation (i.e., the microscopic wettability) between the diffusive fluid and the fixed paramagnetic relaxation sources at the pore surfaces. We apply this method to carbonate reservoir rocks which are known to hold about two thirds of the world's oil reserves. Although this nondestructive method concerns here an application to rocks, it could be generalized as an in situ liquid/surface affinity indicator for any multimodal porous medium including porous biological media. PMID:20365175

  11. Constitutional Dynamics of Metal-Organic Motifs on a Au(111) Surface.

    PubMed

    Kong, Huihui; Zhang, Chi; Xie, Lei; Wang, Likun; Xu, Wei

    2016-06-13

    Constitutional dynamic chemistry (CDC), including both dynamic covalent chemistry and dynamic noncovalent chemistry, relies on reversible formation and breakage of bonds to achieve continuous changes in constitution by reorganization of components. In this regard, CDC is considered to be an efficient and appealing strategy for selective fabrication of surface nanostructures by virtue of dynamic diversity. Although constitutional dynamics of monolayered structures has been recently demonstrated at liquid/solid interfaces, most of molecular reorganization/reaction processes were thought to be irreversible under ultrahigh vacuum (UHV) conditions where CDC is therefore a challenge to be achieved. Here, we have successfully constructed a system that presents constitutional dynamics on a solid surface based on dynamic coordination chemistry, in which selective formation of metal-organic motifs is achieved under UHV conditions. The key to making this reversible switching successful is the molecule-substrate interaction as revealed by DFT calculations. PMID:27144822

  12. Principal role of the stepwise aggregation mechanism in ionic surfactant solutions near the critical micelle concentration. Molecular dynamics study.

    PubMed

    Burov, Stanislav V; Vanin, Alexandr A; Brodskaya, Elena N

    2009-08-01

    The validity of the assumption on the predominant contribution of the stepwise processes to the ionic micelle formation/destruction in the vicinity of critical micelle concentration was investigated by molecular dynamics simulation. A coarse-grained model was used to describe the surfactant/water mixture. The cluster size distribution was estimated directly from molecular dynamics simulations or obtained from a reduced set of kinetic equations. The good agreement between two approaches shows that the neglect of the terms responsible for cluster fusion/fission is fully justified and that such processes are less important than stepwise aggregation. PMID:19591445

  13. Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

    NASA Technical Reports Server (NTRS)

    Norton, Charles D.; Lyzenga, Greg; Parker, Jay; Glasscoe, Margaret; Donnellan, Andrea; Li, Peggy

    2006-01-01

    This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

  14. Coupling surface and mantle dynamics: A novel experimental approach

    NASA Astrophysics Data System (ADS)

    Kiraly, Agnes; Faccenna, Claudio; Funiciello, Francesca; Sembroni, Andrea

    2015-05-01

    Recent modeling shows that surface processes, such as erosion and deposition, may drive the deformation of the Earth's surface, interfering with deeper crustal and mantle signals. To investigate the coupling between the surface and deep process, we designed a three-dimensional laboratory apparatus, to analyze the role of erosion and sedimentation, triggered by deep mantle instability. The setup is constituted and scaled down to natural gravity field using a thin viscous sheet model, with mantle and lithosphere simulated by Newtonian viscous glucose syrup and silicon putty, respectively. The surface process is simulated assuming a simple erosion law producing the downhill flow of a thin viscous material away from high topography. The deep mantle upwelling is triggered by the rise of a buoyant sphere. The results of these models along with the parametric analysis show how surface processes influence uplift velocity and topography signals.

  15. Dynamics of DNA Chains on Flat and Patterned Surfaces

    NASA Astrophysics Data System (ADS)

    Li, Bingquan; Xiaohua, Fang; Seo, Young-Soo; Samuilov, Vladimir; Rafailovich, Miriam; Sokolov, Jonathan

    2003-03-01

    The electrophoresis of DNA chains on flat silicon and patterned surfaces was studied by Confocal Fluorescence Microscopy and Atomic Force Microscopy. Solutions of lambda DNA of 48,502 bp and Schizosaccharomyces pombe (S. pombe) of 3 6 Mb were deposited on different surfaces. The surfaces were chemically modified to be hydrophilic or SAM-covered and the patterns were produced over length scales from nano to micro size in the form of gratings or square arrays. The interaction with the surface and mobility of DNA chains depended on the surface chemistry, topography and ion concentration of buffer. The motion of individual chains in the electric field was analyzed both in terms of the dimensions and orientation of the pattern structure. Supported by NSF-MRSEC program (DMR-9632525)

  16. Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

    SciTech Connect

    Anjos, Daniela M; Mamontov, Eugene; Brown, Gilbert M; Overbury, Steven {Steve} H; Mavila Chathoth, Suresh

    2012-01-01

    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 scale 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.

  17. Molecular dynamics study on surface structure and surface energy of rutile TiO 2 (1 1 0)

    NASA Astrophysics Data System (ADS)

    Song, Dai-Ping; Liang, Ying-Chun; Chen, Ming-Jun; Bai, Qing-Shun

    2009-03-01

    The formula for surface energy was modified in accordance with the slab model of molecular dynamics (MDs) simulations, and MD simulations were performed to investigate the relaxed structure and surface energy of perfect and pit rutile TiO 2(1 1 0). Simulation results indicate that the slab with a surface more than four layers away from the fixed layer expresses well the surface characteristics of rutile TiO 2 (1 1 0) surface; and the surface energy of perfect rutile TiO 2 (1 1 0) surface converges to 1.801±0.001 J m -2. The study on perfect and pit slab models proves the effectiveness of the modified formula for surface energy. Moreover, the surface energy of pit surface is higher than that of perfect surface and exhibits an upper-concave parabolic increase and a step-like increase with increasing the number of units deleted along [0 0 1] and [1 1 0], respectively. Therefore, in order to obtain a higher surface energy, the direction along which atoms are cut out should be chosen in accordance with the pit sizes: [ 1¯10] direction for a small pit size and [0 0 1] direction for a big pit size; or alternatively the odd units of atoms along [1 1 0] direction are removed.

  18. Experimental study of homogeneous nucleation from the bismuth supersaturated vapor: evaluation of the surface tension of critical nucleus.

    PubMed

    Onischuk, A A; Vosel, S V; Borovkova, O V; Baklanov, A M; Karasev, V V; di Stasio, S

    2012-06-14

    The homogeneous nucleation of bismuth supersaturated vapor is studied in a laminar flow quartz tube nucleation chamber. The concentration, size, and morphology of outcoming aerosol particles are analyzed by a transmission electron microscope (TEM) and an automatic diffusion battery (ADB). The wall deposit morphology is studied by scanning electron microscopy. The rate of wall deposition is measured by the light absorption technique and direct weighting of the wall deposits. The confines of the nucleation region are determined in the "supersaturation cut-off" measurements inserting a metal grid into the nucleation zone and monitoring the outlet aerosol concentration response. Using the above experimental techniques, the nucleation rate, supersaturation, and nucleation temperature are measured. The surface tension of the critical nucleus and the radius of the surface of tension are determined from the measured nucleation parameters. To this aim an analytical formula for the nucleation rate is used, derived from author's previous papers based on the Gibbs formula for the work of formation of critical nucleus and the translation-rotation correction. A more accurate approach is also applied to determine the surface tension of critical drop from the experimentally measured bismuth mass flow, temperature profiles, ADB, and TEM data solving an inverse problem by numerical simulation. The simulation of the vapor to particles conversion is carried out in the framework of the explicit finite difference scheme accounting the nucleation, vapor to particles and vapor to wall deposition, and particle to wall deposition, coagulation. The nucleation rate is determined from simulations to be in the range of 10(9)-10(11) cm(-3) s(-1) for the supersaturation of Bi(2) dimers being 10(17)-10(7) and the nucleation temperature 330-570 K, respectively. The surface tension σ(S) of the bismuth critical nucleus is found to be in the range of 455-487 mN/m for the radius of the surface of

  19. Structure and Dynamics of the Au(111) Surface in an Electrochemical Enviroment

    NASA Astrophysics Data System (ADS)

    Collini, John; Liu, Yihua; McDonough, Bryanne; Pierce, Michael; You, Hoydoo; Komanicky, Vladimir; Barbour, Andi

    The Au(111) surface possesses a well-known herringbone surface reconstruction pattern. However, the character of the reconstruction's response to external variables is not completely understood due to the limited amount of kinetics and dynamics studies of the surface in different environments. Here, we present in-situ x-ray scattering measurements from the Advanced Photon Source at Argonne National Laboratory of the Au(111) surface in a controllable electrochemical environment of weak NaF solution. Crystal truncation rod (CTR) measurements were taken to examine how the average surface properties and overall structure change with cell voltage. X-ray photon correlation spectroscopy (XPCS) measurements were also taken to examine how the dynamics of the surface change with voltage. The relation between applied potential, average kinetics, and microstate dynamics will be discussed. Funding provided by Research Corporation for Science Advancement. Work done at the Advanced Photon Source supported by the U.S. Department of Energy.

  20. Influence of surface oxidation on ion dynamics and capacitance in porous and nonporous carbon electrodes

    DOE PAGESBeta

    Dyatkin, Boris; Zhang, Yu; Mamontov, Eugene; Kolesnikov, Alexander I.; Cheng, Yongqiang; Meyer, III, Harry M.; Cummings, Peter T.; Gogotsi, Yury G.

    2016-04-07

    Here, we investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces andmore » enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.« less

  1. Switch of sensitivity dynamics revealed with DyGloSA toolbox for dynamical global sensitivity analysis as an early warning for system's critical transition.

    PubMed

    Baumuratova, Tatiana; Dobre, Simona; Bastogne, Thierry; Sauter, Thomas

    2013-01-01

    Systems with bifurcations may experience abrupt irreversible and often unwanted shifts in their performance, called critical transitions. For many systems like climate, economy, ecosystems it is highly desirable to identify indicators serving as early warnings of such regime shifts. Several statistical measures were recently proposed as early warnings of critical transitions including increased variance, autocorrelation and skewness of experimental or model-generated data. The lack of automatized tool for model-based prediction of critical transitions led to designing DyGloSA - a MATLAB toolbox for dynamical global parameter sensitivity analysis (GPSA) of ordinary differential equations models. We suggest that the switch in dynamics of parameter sensitivities revealed by our toolbox is an early warning that a system is approaching a critical transition. We illustrate the efficiency of our toolbox by analyzing several models with bifurcations and predicting the time periods when systems can still avoid going to a critical transition by manipulating certain parameter values, which is not detectable with the existing SA techniques. DyGloSA is based on the SBToolbox2 and contains functions, which compute dynamically the global sensitivity indices of the system by applying four main GPSA methods: eFAST, Sobol's ANOVA, PRCC and WALS. It includes parallelized versions of the functions enabling significant reduction of the computational time (up to 12 times). DyGloSA is freely available as a set of MATLAB scripts at http://bio.uni.lu/systems_biology/software/dyglosa. It requires installation of MATLAB (versions R2008b or later) and the Systems Biology Toolbox2 available at www.sbtoolbox2.org. DyGloSA can be run on Windows and Linux systems, -32 and -64 bits. PMID:24367574

  2. Droplet-surface Impingement Dynamics for Intelligent Spray Design

    NASA Technical Reports Server (NTRS)

    VanderWal, Randy L.; Kizito, John P.; Tryggvason, Gretar; Berger, Gordon M.; Mozes, Steven D.

    2004-01-01

    Spray cooling has high potential in thermal management and life support systems by overcoming the deleterious effect of microgravity upon two-phase heat transfer. In particular spray cooling offers several advantages in heat flux removal that include the following: 1. By maintaining a wetted surface, spray droplets impinge upon a thin fluid film rather than a dry solid surface 2. Most heat transfer surfaces will not be smooth but rough. Roughness can enhance conductive cooling, aid liquid removal by flow channeling. 3. Spray momentum can be used to a) substitute for gravity delivering fluid to the surface, b) prevent local dryout and potential thermal runaway and c) facilitate liquid and vapor removal. Yet high momentum results in high We and Re numbers characterizing the individual spray droplets. Beyond an impingement threshold, droplets splash rather than spread. Heat flux declines and spray cooling efficiency can markedly decrease. Accordingly we are investigating droplet impingement upon a) dry solid surfaces, b) fluid films, c) rough surfaces and determining splashing thresholds and relationships for both dry surfaces and those covered by fluid films. We are presently developing engineering correlations delineating the boundary between splashing and non-splashing regions.

  3. Carbon monoxide-induced dynamic metal-surface nanostructuring.

    PubMed

    Carenco, Sophie

    2014-08-18

    Carbon monoxide is a ubiquitous molecule in surface science, materials chemistry, catalysis and nanotechnology. Its interaction with a number of metal surfaces is at the heart of major processes, such as Fischer-Tropsch synthesis or fuel-cell optimization. Recent works, coupling structural and nanoscale in situ analytic tools have highlighted the ability of metal surfaces and nanoparticles to undergo restructuring after exposure to CO under fairly mild conditions, generating nanostructures. This Minireview proposes a brief overview of recent examples of such nanostructuring, which leads to a discussion about the driving force in reversible and non-reversible situations. PMID:25044189

  4. Adsorption-Induced Surface Stresses of the Water/Quartz Interface: Ab Initio Molecular Dynamics Study.

    PubMed

    Gor, Gennady Y; Bernstein, Noam

    2016-05-31

    Adsorption-induced deformation is expansion or contraction of a solid due to adsorption on its surface. This phenomenon is important for a wide range of applications, from chemomechanical sensors to methane recovery from geological formations. The strain of the solid is driven by the change of the surface stress due to adsorption. Using ab initio molecular dynamics, we calculate the surface stresses for the dry α-quartz surfaces, and investigate how these stresses change when the surfaces are exposed to water. We find that the nonhydroxylated surface shows small and approximately isotropic changes in stress, while the hydroxylated surface, which interacts more strongly with the polar water molecules, shows larger and qualitatively anisotropic (opposite sign in xx and yy) surface stress changes. All of these changes are several times larger than the surface tension of water itself. The anisotropy and possibility of positive surface stress change can explain experimentally observed surface area contraction due to adsorption. PMID:27159032

  5. Surface space-charge dynamics and surface recombination on silicon (111) surfaces measured with combined laser and synchrotron radiation

    SciTech Connect

    Long, J.P.; Sadeghi, H.R.; Rife, J.C.; Kabler, M.N. )

    1990-03-05

    The results of a new experiment, which records transient, pulsed-laser-induced surface photovoltages by following photoemission shifts measured with synchrotron radiation, are reported. Comparison of the surface photovoltage decays with numerical simulations reveals large surface recombination rates for a variety of Si(111) surface preparations. The space-charge layer near the surface is found to govern the surface and bulk carrier concentrations to a remarkable extent, particularly when band bending is large.

  6. Dynamic Moon: New Impacts and Contemporary Surface Changes

    NASA Astrophysics Data System (ADS)

    Speyerer, E. J.; Povilaitis, R. Z.; Robinson, M. S.; Thomas, P. C.; Wagner, R. V.

    2016-05-01

    Before and after image pairs acquired by the Lunar Reconnaissance Orbiter Camera enable the identification of new impact craters and secondary surface changes revealing new insight into the cratering process and regolith gardening.

  7. RAPID COMMUNICATION: Observation of a dynamic specular weld pool surface

    NASA Astrophysics Data System (ADS)

    Zhang, Y. M.; Song, H. S.; Saeed, G.

    2006-06-01

    Observation and measurement of a weld pool surface is a key towards the development of next generation intelligent welding machines which can mimic a skilled human welder to a certain extent. However, the bright arc radiation and the specular surface complicate the observation and measurement task. This paper proposes a novel method to turn the difficulty of the specular surface into an advantage by exploiting the difference between propagation of an illumination laser and the arc plasma. The governing law is simply the reflection law which can provide the base for the computation of the weld pool surface. Experimental results verified the effectiveness of the proposed method in acquiring clear images in the presence of the bright arc.

  8. Droplet-Surface Impingement Dynamics for Intelligent Spray Design

    NASA Technical Reports Server (NTRS)

    Wal, Randy L. Vander; Kizito, John P.; Tryggvason, Gretar

    2004-01-01

    Spray cooling has high potential in thermal management and life support systems by overcoming the deleterious effect of microgravity upon two-phase heat transfer. In particular spray cooling offers several advantages in heat flux removal that include the following: 1) By maintaining a wetted surface, spray droplets impinge upon a thin fluid film rather than a dry solid surface; 2. Most heat transfer surfaces will not be smooth but rough. Roughness can enhance conductive cooling, aid liquid removal by flow channeling; and 3. Spray momentum can be used to a) substitute for gravity delivering fluid to the surface, b) prevent local dryout and potential thermal runaway and c) facilitate liquid and vapor removal. Yet high momentum results in high We and Re numbers characterizing the individual spray droplets. Beyond an impingement threshold, droplets splash rather than spread. Heat flux declines and spray cooling efficiency can markedly decrease. Accordingly we are investigating droplet impingement upon a) dry solid surfaces, b) fluid films, c) rough surfaces and determining splashing thresholds and relationships for both dry surfaces and those covered by fluid films. We are presently developing engineering correlations delineating the boundary between splashing and non-splashing regions. Determining the splash/non-splash boundary is important for many practical applications. Coating and cooling processes would each benefit from near-term empirical relations and subsequent models. Such demonstrations can guide theoretical development by providing definitive testing of its predictive capabilities. Thus, empirical relations describing the boundary between splash and non-splash are given for drops impinging upon a dry solid surface and upon a thin fluid film covering a similar surface. Analytical simplification of the power laws describing the boundary between the splash and non-splash regions yields insight into the engineering parameters governing the splash and non

  9. The mechanisms of plastic strain accommodation and post critical behavior of heterogeneous reactive composites subject to dynamic loading

    NASA Astrophysics Data System (ADS)

    Olney, Karl L.

    The dynamic behavior of granular/porous and laminate reactive materials is of interest due to their practical applications; reactive structural components, reactive fragments, etc. The mesostructural properties control meso- and macro-scale dynamic behavior of these heterogeneous composites including the behavior during the post-critical stage of deformation. They heavily influence mechanisms of fragment generation and the in situ development of local hot spots, which act as sites of ignition in these materials. This dissertation concentrates on understanding the mechanisms of plastic strain accommodation in two representative reactive material systems with different heterogeneous mesostructrues: Aluminum-Tungsten granular/porous and Nickel-Aluminum laminate composites. The main focus is on the interpretation of results of the following dynamic experiments conducted at different strain and strain rates: drop weight tests, explosively expanded ring experiments, and explosively collapsed thick walled cylinder experiments. Due to the natural limitations in the evaluation of the mesoscale behavior of these materials experimentally and the large variation in the size scales between the mesostructural level and the sample, it is extremely difficult, if not impossible, to examine the mesoscale behavior in situ. Therefore, numerical simulations of the corresponding experiments are used as the main tool to explore material behavior at the mesoscale. Numerical models were developed to elucidate the mechanisms of plastic strain accommodation and post critical behavior in these heterogeneous composites subjected to dynamic loading. These simulations were able to reproduce the qualitative and quantitative features that were observable in the experiments and provided insight into the evolution of the mechanisms of plastic strain accommodation and post critical behavior in these materials with complex mesotructure. Additionally, these simulations provided a framework to examine

  10. Dynamic superhydrophobic behavior in scalable random textured polymeric surfaces

    NASA Astrophysics Data System (ADS)

    Moreira, David; Park, Sung-hoon; Lee, Sangeui; Verma, Neil; Bandaru, Prabhakar R.

    2016-03-01

    Superhydrophobic (SH) surfaces, created from hydrophobic materials with micro- or nano- roughness, trap air pockets in the interstices of the roughness, leading, in fluid flow conditions, to shear-free regions with finite interfacial fluid velocity and reduced resistance to flow. Significant attention has been given to SH conditions on ordered, periodic surfaces. However, in practical terms, random surfaces are more applicable due to their relative ease of fabrication. We investigate SH behavior on a novel durable polymeric rough surface created through a scalable roll-coating process with varying micro-scale roughness through velocity and pressure drop measurements. We introduce a new method to construct the velocity profile over SH surfaces with significant roughness in microchannels. Slip length was measured as a function of differing roughness and interstitial air conditions, with roughness and air fraction parameters obtained through direct visualization. The slip length was matched to scaling laws with good agreement. Roughness at high air fractions led to a reduced pressure drop and higher velocities, demonstrating the effectiveness of the considered surface in terms of reduced resistance to flow. We conclude that the observed air fraction under flow conditions is the primary factor determining the response in fluid flow. Such behavior correlated well with the hydrophobic or superhydrophobic response, indicating significant potential for practical use in enhancing fluid flow efficiency.

  11. Surface dynamics and mechanics in liquid crystal polymer coatings

    NASA Astrophysics Data System (ADS)

    Liu, Danqing; Broer, Dirk J.

    2015-03-01

    Based on liquid crystal networks we developed `smart' coatings with responsive surface topographies. Either by prepatterning or by the formation of self-organized structures they can be switched on and off in a pre-designed manner. Here we provide an overview of our methods to generate coatings that form surface structures upon the actuation by light. The coating oscillates between a flat surface and a surface with pre-designed 3D micro-patterns by modulating a light source. With recent developments in solid state lighting, light is an attractive trigger medium as it can be integrated in a device for local control or can be used remotely for flood or localized exposure. The basic principle of formation of surface topographies is based on the change of molecular organization in ordered liquid crystal polymer networks. The change in order leads to anisotropic dimensional changes with contraction along the director and expansion to the two perpendicular directions and an increase in volume by the formation of free volume. These two effects work in concert to provide local expansion and contraction in the coating steered by the local direction of molecular orientation. The surface deformation, expressed as the height difference between the activated regions and the non-activated regions divided by the initial film thickness, is of the order of 20%. Switching occurs immediately when the light is switched `on' and `off' and takes several tens of seconds.

  12. A critical study of the role of the surface oxide layer in titanium bonding

    NASA Technical Reports Server (NTRS)

    Dias, S.; Wightman, J. P.

    1982-01-01

    The molecular understanding of the role which the surface oxide layer of the adherend plays in titanium bonding is studied. The effects of Ti6-4 adherends pretreatment, bonding conditions, and thermal aging of the lap shear specimens were studied. The use of the SEM/EDAX and ESCA techniques to study surface morphology and surface composition was emphasized. In addition, contact angles and both infrared and visible reflection spectroscopy were used in ancillary studies.

  13. Photoluminescence properties of AgInS2-ZnS nanocrystals: the critical role of the surface

    NASA Astrophysics Data System (ADS)

    Chevallier, Théo; Le Blevennec, Gilles; Chandezon, Frédéric

    2016-03-01

    AgInS2-ZnS (ZAIS) nanocrystals are very good candidates for easily synthesized, highly efficient cadmium-free nano-phosphors. They can be employed for the development of next generation white-LED technologies, taking advantage of their nanometric size. This paper describes the combined use of time-resolved emission spectroscopy and photoluminescence quantum yield measurements to quantitatively compare the efficiency of each recombination pathway involved in the photoluminescence of ZAIS nanocrystals. This approach, applied to nanocrystals of different sizes, compositions and surface chemistry revealed the critical role of surface effects. Moreover, we developed a new type of surface passivation that increases the photoluminescence quantum yield of all nanocrystal compositions by 15 to 20%. This molecular surface passivation can be applied as a replacement or in addition to the already established ZnS shell passivation method.AgInS2-ZnS (ZAIS) nanocrystals are very good candidates for easily synthesized, highly efficient cadmium-free nano-phosphors. They can be employed for the development of next generation white-LED technologies, taking advantage of their nanometric size. This paper describes the combined use of time-resolved emission spectroscopy and photoluminescence quantum yield measurements to quantitatively compare the efficiency of each recombination pathway involved in the photoluminescence of ZAIS nanocrystals. This approach, applied to nanocrystals of different sizes, compositions and surface chemistry revealed the critical role of surface effects. Moreover, we developed a new type of surface passivation that increases the photoluminescence quantum yield of all nanocrystal compositions by 15 to 20%. This molecular surface passivation can be applied as a replacement or in addition to the already established ZnS shell passivation method. Electronic supplementary information (ESI) available. See DOI: 10.1039/C5NR07082A

  14. INTRODUCTION: Surface Dynamics, Phonons, Adsorbate Vibrations and Diffusion

    NASA Astrophysics Data System (ADS)

    Bruch, L. W.

    2004-07-01

    understanding of the underlying factors determining the optical quality of GaInNAs, such as composition, growth and annealing conditions. We are still far from establishing an understanding of the band structure and its dependence on composition. Fundamental electronic interactions such as electron-electron and electron-phonon scattering, dependence of effective mass on composition, strain and orientation, quantum confinement effects, effects of localized nitrogen states on high field transport and on galvanometric properties, and mechanisms for light emission in these materials, are yet to be fully understood. Nature and formation mechanisms of grown-in and processing-induced defects that are important for material quality and device performance are still unknown. Such knowledge is required in order to design strategies to efficiently control and eliminate harmful defects. For many potential applications (such as solar cells, HBTs) it is essential to get more information on the transport properties of dilute nitride materials. The mobility of minority carriers is known to be low in GaInNAs and related material. The experimental values are far from reaching the theoretical ones, due to defects and impurities introduced in the material during the growth. The role of the material inhomogeneities on the lateral carrier transport also needs further investigation. From the device's point of view most attention to date has been focused on the GaInNAs/GaAs system, mainly because of its potential for optoelectronic devices covering the 1.3-1.55 µm data and telecommunications wavelength bands. As is now widely appreciated, these GaAs-compatible structures allow monolithic integration of AlGaAs-based distributed Bragg reflector mirrors (DBRs) for vertical cavity surface-emitting lasers with low temperature sensitivity and compatibility with AlOx-based confinement techniques. In terms of conventional edge-emitting lasers (EELs), the next step is to extend the wavelength range for cw room

  15. Looking below the surface: developing critical literacy skills to reduce the stigma of mental disorders.

    PubMed

    McAllister, Margaret

    2008-09-01

    Although clinicians and the public are more informed about the factors that give rise to mental disorders, stigmatization does not seem to be abating. This article argues for one solution: altering the way students are taught, moving beyond content toward a focus on enticing attitudinal shifts, such as empathy and personal commitment to social change. This article describes a strategy for learners to develop critical literacy skills and to acknowledge and develop their role in encouraging students to become critical agents who possess the knowledge and courage to struggle against despair and to embrace hope. PMID:18792711

  16. Nitrogen dynamics at the groundwater-surface water interface of a degraded urban stream (journal)

    EPA Science Inventory

    Urbanization degrades stream ecosystems by altering hydrology and nutrient dynamics, yet relatively little effort has been devoted to understanding biogeochemistry of urban streams at the ground water-surface water interface. This zone may be especially important for nitrogen re...

  17. 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

  18. Pretilt angle effects on critical voltage and dynamic response of pi cell

    NASA Astrophysics Data System (ADS)

    Sun, Yubao; Ma, Hongmei; Li, Zaidong; Zhang, Zhidong; Guan, Ronghua

    2007-02-01

    The critical voltage with an arbitrary pretilt angle is given analytically which is consistent with the numerical results [Acosta et al., Liq. Cryst. 27, 977 (2000)]. The author's results show that the critical voltage is dependent on the parameters of liquid crystal and pretilt angle but is independent of the cell gap. By numerical simulation the authors find that the on time of pi cell decreases with the increasing pretilt at the same voltage, and the off time of the cell driven by the undershoot method is much faster than that of the normal driven method for the cell with nonzero critical voltage.

  19. Dynamic surface tension and adsorption kinetics of a siloxane dicephalic surfactant

    NASA Astrophysics Data System (ADS)

    Zhang, Dianlong; Qu, Wenshan; Li, Zhe

    2015-02-01

    The dynamic surface tension (DST) of a siloxane dicephalic surfactant was measured by using the maximum bubble pressure method. By using the classical Ward and Tordai equation, the diffusion coefficient for each bulk surfactant concentration was calculated. The results show that at the initial adsorption stage and at the end of the adsorption process, the dynamic surface tension data were all consistent with this diffusion-controlled mechanism. Their diffusion coefficient was slightly lower than that for conventional hydrocarbon surfactants.

  20. Catchment organisation, free energy dynamics and network control on critical zone water flows

    NASA Astrophysics Data System (ADS)

    Zehe, E.; Ehret, U.; Kleidon, A.; Jackisch, C.; Scherer, U.; Blume, T.

    2012-04-01

    as that these flow structures organize and dominate flows of water, dissolved matter and sediments during rainfall driven conditions at various scales: - Surface connected vertical flow structures of anecic worm burrows or soil cracks organize and dominated vertical flows at the plot scale - this is usually referred to as preferential flow; - Rill networks at the soil surface organise and dominate hillslope scale overland flow response and sediment yields; - Subsurface pipe networks at the bedrock interface organize and dominate hillslope scale lateral subsurface water and tracer flows; - The river net organizes and dominates flows of water, dissolved matter and sediments to the catchment outlet and finally across continental gradients to the sea. Fundamental progress with respect to the parameterization of hydrological models, subscale flow networks and to understand the adaptation of hydro-geo ecosystems to change could be achieved by discovering principles that govern the organization of catchments flow networks in particular at least during steady state conditions. This insight has inspired various scientists to suggest principles for organization of ecosystems, landscapes and flow networks; as Bejans constructural law, Minimum Energy Expenditure , Maximum Entropy Production. In line with these studies we suggest that a thermodynamic/energetic treatment of the catchment is might be a key for understanding the underlying principles that govern organisation of flow and transport. Our approach is to employ a) physically based hydrological model that address at least all the relevant hydrological processes in the critical zone in a coupled way, behavioural representations of the observed organisation of flow structures and textural elements, that are consistent with observations in two well investigated research catchments and have been tested against distributed observations of soil moisture and catchment scale discharge; to simulate the full concert of hydrological

  1. Dynamics of microdroplets over the surface of hot water

    NASA Astrophysics Data System (ADS)

    Umeki, Takahiro; Ohata, Masahiko; Nakanishi, Hiizu; Ichikawa, Masatoshi

    2015-01-01

    When drinking a cup of coffee under the morning sunshine, you may notice white membranes of steam floating on the surface of the hot water. They stay notably close to the surface and appear to almost stick to it. Although the membranes whiffle because of the air flow of rising steam, peculiarly fast splitting events occasionally occur. They resemble cracking to open slits approximately 1 mm wide in the membranes, and leave curious patterns. We studied this phenomenon using a microscope with a high-speed video camera and found intriguing details: i) the white membranes consist of fairly monodispersed small droplets of the order of 10 μm ii) they levitate above the water surface by 10 ~ 100 μm iii) the splitting events are a collective disappearance of the droplets, which propagates as a wave front of the surface wave with a speed of 1 ~ 2 m/s and iv) these events are triggered by a surface disturbance, which results from the disappearance of a single droplet.

  2. Dynamics of microdroplets over the surface of hot water

    PubMed Central

    Umeki, Takahiro; Ohata, Masahiko; Nakanishi, Hiizu; Ichikawa, Masatoshi

    2015-01-01

    When drinking a cup of coffee under the morning sunshine, you may notice white membranes of steam floating on the surface of the hot water. They stay notably close to the surface and appear to almost stick to it. Although the membranes whiffle because of the air flow of rising steam, peculiarly fast splitting events occasionally occur. They resemble cracking to open slits approximately 1 mm wide in the membranes, and leave curious patterns. We studied this phenomenon using a microscope with a high-speed video camera and found intriguing details: i) the white membranes consist of fairly monodispersed small droplets of the order of 10 μm; ii) they levitate above the water surface by 10 ~ 100 μm; iii) the splitting events are a collective disappearance of the droplets, which propagates as a wave front of the surface wave with a speed of 1 ~ 2 m/s; and iv) these events are triggered by a surface disturbance, which results from the disappearance of a single droplet. PMID:25623086

  3. Efficient identification of critical stresses in structures subject to dynamic loads

    NASA Technical Reports Server (NTRS)

    Haftka, R. T.; Watson, L. T.; Grandhi, R. V.

    1986-01-01

    Optimum structural design problems generally employ constraints which are parametric in terms of space and time variables. A parametric constraint may be replaced by equivalent critical point constraints at its local minima for optimization applications. In complex structures, accurate identification of such critical points is computationally expensive due to the cost of finite element analyses. Three techniques are described for efficiently and accurately identifying critical points for space- and time-dependent parametric constraints. An adaptive search technique and a spline interpolation technique are developed for exactly known response. A least squares spline approximation is suggested for noisy behavior. A helicopter tail-boom structure subjected to transient loading is used as an example to demonstrate the techniques described. All three techniques are shown to be computationally efficient for critical point identification and the least squares approximation also removes noise from the data. The case of multiple constraints per element is shown to be particularly suited to the use of spline techniques.

  4. Critical and Creative Reflective Inquiry: Surfacing Narratives to Enable Learning and Inform Action

    ERIC Educational Resources Information Center

    Cardiff, Shaun

    2012-01-01

    Narratives are being increasingly used in nursing and action research. In this participatory action research study, nurse leaders of an acute care of the older person unit collectively, critically and creatively reflected on lived experiences in order to explore the concept of person-centred leadership within their own practice. This paper…

  5. Surfacing the Assumptions: Pursuing Critical Literacy and Social Justice in Preservice Teacher Education

    ERIC Educational Resources Information Center

    Robertson, Lorayne; Hughes, Janette

    2012-01-01

    This paper outlines a four-year study of a preservice education course based on a socio-constructivist research framework. The preservice English Language Arts course focuses on critical literacy and teaching for social justice while employing digital technologies. The research study examines two concepts across all aspects of the course: 1) new…

  6. Investigation of the Rayleigh critical angle phenomenon for the characterization of surface properties

    NASA Astrophysics Data System (ADS)

    Hildebranc, B. P.; Fitzpatrick, G. L.; Boland, A. J.

    1983-09-01

    A series of experiments on single crystals and other materials of a controlled nature have been preferred. These experiments have provided strong constraints on the interpretation of critical angle measurements made with an apparatus which employs a focused acoustic source rather than a plane wave source. Certain anomalous measurements reported earlier on uncontrolled materials have been seen again in these controlled materials.

  7. ESTIMATING CRITICAL LOADS OF SULFATE TO SURFACE WATERS IN THE NORTHEASTERN UNITED STATES

    EPA Science Inventory

    It is important to note that no attempt to evaluate or identify any of the results presented here as right/wrong, or to rank the reliability of results was made. he objective, rather, has been to generate sets of critical load estimates using multiple models and data sets, and to...

  8. A stochastic, local mode study of neon-liquid surface collision dynamics.

    PubMed

    Packwood, Daniel M; Phillips, Leon F

    2011-01-14

    Equations of motion for a fast, light rare gas atom passing over a liquid surface are derived and used to infer the dynamics of neon collisions with squalane and perfluorinated polyether surfaces from experimental data. The equations incorporate the local mode model of a liquid surface via a stochastic process and explicitly account for impulsive collisional energy loss to the surface. The equations predict angular distributions for scattering of neon that are in good quantitative agreement with experimental data. Our key dynamical conclusions are that experimental angular distributions derive mainly from local mode surface topography rather than from structural features of individual surface molecules, and that the available data for these systems can be accounted for almost exclusively by single collisions between neon atoms and the liquid surface. PMID:21042647

  9. Composition-dependent metallic glass alloys correlate atomic mobility with collective glass surface dynamics.

    PubMed

    Nguyen, Duc; Zhu, Zhi-Guang; Pringle, Brian; Lyding, Joseph; Wang, Wei-Hua; Gruebele, Martin

    2016-06-22

    Glassy metallic alloys are richly tunable model systems for surface glassy dynamics. Here we study the correlation between atomic mobility, and the hopping rate of surface regions (clusters) that rearrange collectively on a minute to hour time scale. Increasing the proportion of low-mobility copper atoms in La-Ni-Al-Cu alloys reduces the cluster hopping rate, thus establishing a microscopic connection between atomic mobility and dynamics of collective rearrangements at a glass surface made from freshly exposed bulk glass. One composition, La60Ni15Al15Cu10, has a surface resistant to re-crystallization after three heating cycles. When thermally cycled, surface clusters grow in size from about 5 glass-forming units to about 8 glass-forming units, evidence of surface aging without crystal formation, although its bulk clearly forms larger crystalline domains. Such kinetically stable glass surfaces may be of use in applications where glassy coatings stable against heating are needed. PMID:27283239

  10. Annihilation of craters: Molecular dynamic simulations on a silver surface

    SciTech Connect

    Henriksson, K. O. E.; Nordlund, K.; Keinonen, J.

    2007-12-15

    The ability of silver cluster ions containing 13 atoms to fill in a preexisting crater with a radius of about 28 A ring on a silver (001) target has been investigated using molecular dynamics simulations and the molecular-dynamics-Monte Carlo corrected effective medium potential. The largest lateral distance r between crater and ion was about three times the radius of the preexisting crater, namely, 75 A ring . The results reveal that when r<20 A ring and r>60 A ring the preexisting crater is partially filled in, and for other distances there is a net growth of the crater. The lattice damage created by the cluster ions, the total sputtering yield, the cluster sputtering yield, and simulated transmission electron microscopy images of the irradiated targets are also presented.

  11. Gas adsorption and accumulation on hydrophobic surfaces: Molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Luo, Qing-Qun; Yang, Jie-Ming

    2015-09-01

    Molecular dynamics simulations show that the gas dissolved in water can be adsorbed at a hydrophobic interface and accumulates thereon. Initially, a water depletion layer appears on the hydrophobic interface. Gas molecules then enter the depletion layer and form a high-density gas-enriched layer. Finally, the gas-enriched layer accumulates to form a nanobubble. The radian of the nanobubble increases with time until equilibrium is reached. The equilibrium state arises through a Brenner-Lohse dynamic equilibrium mechanism, whereby the diffusive outflux is compensated by an influx near the contact line. Additionally, supersaturated gas also accumulates unsteadily in bulk water, since it can diffuse back into the water and is gradually adsorbed by a solid substrate. Project supported by the National Natural Science Foundation of China (Grant No. 21376161).

  12. Critical overview of Nitinol surfaces and their modifications for medical applications

    SciTech Connect

    Shabalovskaya, S.; Anderegg, J.; Van Humbeeck, J.

    2008-02-06

    Nitinol, a group of nearly equiatomic shape memory and superelastic NiTi alloys, is being extensively explored for medical applications. Release of Ni in the human body, a potential problem with Nitinol implant devices, has stimulated a great deal of research on its surface modifications and coatings. In order to use any of the developed surfaces in implant designs, it is important to understand whether they really have advantages over bare Nitinol. This paper overviews the current situation, discusses the advantages and disadvantages of new surfaces as well as the limitations of the studies performed. It presents a comprehensive analysis of surface topography, chemistry, corrosion behavior, nickel release and biological responses to Nitinol surfaces modified mechanically or using such methods as etching in acids and alkaline solutions, electropolishing, heat and ion beam treatments, boiling in water and autoclaving, conventional and ion plasma implantations, laser melting and bioactive coating deposition. The analysis demonstrates that the presently developed surfaces vary in thickness from a few nanometers to micrometers, and that they can effectively prevent Ni release if the surface integrity is maintained under strain and if no Ni-enriched sub-layers are present. Whether it is appropriate to use various low temperature pre-treatment protocols ({le} 160 C) developed originally for pure titanium for Nitinol surface modifications and coatings is also discussed. The importance of selection of original Nitinol surfaces with regard to the performance of coatings and comparative performance of controls in the studies is emphasized. Considering the obvious advantages of bare Nitinol surfaces for superelastic implants, details of their preparation are also outlined.

  13. Inhibition of bacterial surface colonization by immobilized silver nanoparticles depends critically on the planktonic bacterial concentration.

    PubMed

    Wirth, Stacy M; Bertuccio, Alex J; Cao, Feng; Lowry, Gregory V; Tilton, Robert D

    2016-04-01

    Immobilization of antimicrobial silver nanoparticles (AgNPs) on surfaces has been proposed as a method to inhibit biofouling or as a possible route by which incidental releases of AgNPs may interfere with biofilms in the natural environment or in wastewater treatment. This study addresses the ability of planktonic Pseudomonas fluorescens bacteria to colonize surfaces with pre-adsorbed AgNPs. The ability of the AgNP-coated surfaces to inhibit colonization was controlled by the dissolved silver in the system, with a strong dependence on the initial planktonic cell concentration in the suspension, i.e., a strong inoculum effect. This dependence was attributed to a decrease in dissolved silver ion bioavailability and toxicity caused by its binding to cells and/or cell byproducts. Therefore, when the initial cell concentration was high (∼1×10(7)CFU/mL), an excess of silver binding capacity removed most of the free silver and allowed both planktonic growth and surface colonization directly on the AgNP-coated surface. When the initial cell concentration was low (∼1×10(5)CFU/mL), 100% killing of the planktonic cell inoculum occurred and prevented colonization. When an intermediate initial inoculum concentration (∼1×10(6)CFU/mL) was sufficiently large to prevent 100% killing of planktonic cells, even with 99.97% initial killing, the planktonic population recovered and bacteria colonized the AgNP-coated surface. In some conditions, colonization of AgNP-coated surfaces was enhanced relative to silver-free controls, and the bacteria demonstrated a preferential attachment to AgNP-coated, rather than bare, surface regions. The degree to which the bacterial concentration dictates whether or not surface-immobilized AgNPs can inhibit colonization has significant implications both for the design of antimicrobial surfaces and for the potential environmental impacts of AgNPs. PMID:26771749

  14. Molecular dynamics modeling of a nanomaterials-water surface interaction

    NASA Astrophysics Data System (ADS)

    Nejat Pishkenari, Hossein; Keramati, Ramtin; Abdi, Ahmad; Minary-Jolandan, Majid

    2016-04-01

    In this article, we study the formation of nanomeniscus around a nanoneedle using molecular dynamics simulation approach. The results reveal three distinct phases in the time-evolution of meniscus before equilibrium according to the contact angle, meniscus height, and potential energy. In addition, we investigated the correlation between the nanoneedle diameter and nanomeniscus characteristics. The results have applications in various fields such as scanning probe microscopy and rheological measurements.

  15. Direct visualization of photoinduced glassy dynamics on the amorphous silicon carbide surface by STM movies

    NASA Astrophysics Data System (ADS)

    Nguyen, Duc; Nienhaus, Lea; Haasch, Richard T.; Lyding, Joseph; Gruebele, Martin

    2015-03-01

    Glassy dynamics can be controlled by light irradiation. Sub- and above-bandgap irradiation cause numerous phenomena in glasses including photorelaxation, photoexpansion, photodarkening and pohtoinduced fluidity. We used scanning tunneling microscopy to study surface glassy dynamics of amorphous silicon carbide irradiated with above- bandgap 532 nm light. Surface clusters of ~ 4-5 glass forming unit in diameter hop mostly in a two-state fashion, both without and with irradiation. Upon irradiation, the average surface hopping activity increases by a factor of 3. A very long (~1 day) movie of individual clusters with varying laser power density provides direct evidence for photoinduced enhanced hopping on the glass surfaces. We propose two mechanisms: heating and electronic for the photoenhanced surface dynamics.

  16. Absorption of Polyelectrolytes on Colloidal Surfaces as Studied by Electrophoretic and Dynamic Light-Scattering Techniques.

    PubMed

    Okubo; Suda

    1999-05-15

    zeta-Potential and the effective diameter of the colloidal spheres absorbed with the macro-cations and macro-anions are studied by the electrophoretic light-scattering and dynamic light-scattering measurements. Colloidal spheres used are monodispersed polystyrene (220 nm in diameter) and colloidal silica spheres (110 nm). Macro-ions used are sodium polyacrylate, sodium polymethylacrylate, sodium poly(styrene sulfonate), and poly-4-vinyl pyridines quaternized with ethyl bromide, n-butyl bromide, benzyl chloride, and 5% hexadecyl bromide and 95% benzyl chloride. Reversal of colloidal surface charges from negative to positive occurs abruptly above the critical concentration of macro-ions by the excess absorption of the macro-cations onto the anionic colloidal spheres, i.e., avalanche-type absorption. The effective diameter of colloidal spheres including the absorbed layers increases substantially by four- to tenfold. In the presence of large amount of macro-cations aggregation of colloidal spheres mediated by the layers of absorbed macro-cations may occur. Absorption also occurs on the anionic colloidal spheres in the presence of an excess amount of macro-anions by the dipole-dipole-type attractive interactions. Copyright 1999 Academic Press. PMID:10222098

  17. Dynamic Surfaces for the Study of Mesenchymal Stem Cell Growth through Adhesion Regulation.

    PubMed

    Roberts, Jemma N; Sahoo, Jugal Kishore; McNamara, Laura E; Burgess, Karl V; Yang, Jingli; Alakpa, Enateri V; Anderson, Hilary J; Hay, Jake; Turner, Lesley-Anne; Yarwood, Stephen J; Zelzer, Mischa; Oreffo, Richard O C; Ulijn, Rein V; Dalby, Matthew J

    2016-07-26

    Out of their niche environment, adult stem cells, such as mesenchymal stem cells (MSCs), spontaneously differentiate. This makes both studying these important regenerative cells and growing large numbers of stem cells for clinical use challenging. Traditional cell culture techniques have fallen short of meeting this challenge, but materials science offers hope. In this study, we have used emerging rules of managing adhesion/cytoskeletal balance to prolong MSC cultures by fabricating controllable nanoscale cell interfaces using immobilized peptides that may be enzymatically activated to change their function. The surfaces can be altered (activated) at will to tip adhesion/cytoskeletal balance and initiate differentiation, hence better informing biological mechanisms of stem cell growth. Tools that are able to investigate the stem cell phenotype are important. While large phenotypical differences, such as the difference between an adipocyte and an osteoblast, are now better understood, the far more subtle differences between fibroblasts and MSCs are much harder to dissect. The development of technologies able to dynamically navigate small differences in adhesion are critical in the race to provide regenerative strategies using stem cells. PMID:27322014

  18. Plasmofluidic single-molecule surface-enhanced Raman scattering from dynamic assembly of plasmonic nanoparticles

    NASA Astrophysics Data System (ADS)

    Patra, Partha Pratim; Chikkaraddy, Rohit; Tripathi, Ravi P. N.; Dasgupta, Arindam; Kumar, G. V. Pavan

    2014-07-01

    Single-molecule surface-enhanced Raman scattering (SM-SERS) is one of the vital applications of plasmonic nanoparticles. The SM-SERS sensitivity critically depends on plasmonic hot-spots created at the vicinity of such nanoparticles. In conventional fluid-phase SM-SERS experiments, plasmonic hot-spots are facilitated by chemical aggregation of nanoparticles. Such aggregation is usually irreversible, and hence, nanoparticles cannot be re-dispersed in the fluid for further use. Here, we show how to combine SM-SERS with plasmon polariton-assisted, reversible assembly of plasmonic nanoparticles at an unstructured metal-fluid interface. One of the unique features of our method is that we use a single evanescent-wave optical excitation for nanoparticle assembly, manipulation and SM-SERS measurements. Furthermore, by utilizing dual excitation of plasmons at metal-fluid interface, we create interacting assemblies of metal nanoparticles, which may be further harnessed in dynamic lithography of dispersed nanostructures. Our work will have implications in realizing optically addressable, plasmofluidic, single-molecule detection platforms.

  19. Plasmofluidic single-molecule surface-enhanced Raman scattering from dynamic assembly of plasmonic nanoparticles.

    PubMed

    Patra, Partha Pratim; Chikkaraddy, Rohit; Tripathi, Ravi P N; Dasgupta, Arindam; Kumar, G V Pavan

    2014-01-01

    Single-molecule surface-enhanced Raman scattering (SM-SERS) is one of the vital applications of plasmonic nanoparticles. The SM-SERS sensitivity critically depends on plasmonic hot-spots created at the vicinity of such nanoparticles. In conventional fluid-phase SM-SERS experiments, plasmonic hot-spots are facilitated by chemical aggregation of nanoparticles. Such aggregation is usually irreversible, and hence, nanoparticles cannot be re-dispersed in the fluid for further use. Here, we show how to combine SM-SERS with plasmon polariton-assisted, reversible assembly of plasmonic nanoparticles at an unstructured metal-fluid interface. One of the unique features of our method is that we use a single evanescent-wave optical excitation for nanoparticle assembly, manipulation and SM-SERS measurements. Furthermore, by utilizing dual excitation of plasmons at metal-fluid interface, we create interacting assemblies of metal nanoparticles, which may be further harnessed in dynamic lithography of dispersed nanostructures. Our work will have implications in realizing optically addressable, plasmofluidic, single-molecule detection platforms. PMID:25000476

  20. Dynamic Surfaces for the Study of Mesenchymal Stem Cell Growth through Adhesion Regulation

    PubMed Central

    2016-01-01

    Out of their niche environment, adult stem cells, such as mesenchymal stem cells (MSCs), spontaneously differentiate. This makes both studying these important regenerative cells and growing large numbers of stem cells for clinical use challenging. Traditional cell culture techniques have fallen short of meeting this challenge, but materials science offers hope. In this study, we have used emerging rules of managing adhesion/cytoskeletal balance to prolong MSC cultures by fabricating controllable nanoscale cell interfaces using immobilized peptides that may be enzymatically activated to change their function. The surfaces can be altered (activated) at will to tip adhesion/cytoskeletal balance and initiate differentiation, hence better informing biological mechanisms of stem cell growth. Tools that are able to investigate the stem cell phenotype are important. While large phenotypical differences, such as the difference between an adipocyte and an osteoblast, are now better understood, the far more subtle differences between fibroblasts and MSCs are much harder to dissect. The development of technologies able to dynamically navigate small differences in adhesion are critical in the race to provide regenerative strategies using stem cells. PMID:27322014

  1. Runoff and Infiltration Dynamics on Pervious Paver Surfaces

    Technology Transfer Automated Retrieval System (TEKTRAN)

    When natural or agricultural land is converted for (sub)urban or commercial use, the addition of impervious surfaces becomes a dominating factor in the new urban hydrologic regime. To help minimize the negative hydrologic effects of this land use change, urban best management practices (BMPs) are co...

  2. Control and dynamics study for the satellite power system. Volume 1: MPTS/SPS collector dynamic analysis and surface deformation

    NASA Technical Reports Server (NTRS)

    Wang, S. J.

    1980-01-01

    The basic dynamic properties and performance characteristics of the microwave power transmission satellite antenna were analyzed in an effort to develop criteria, requirements, and constraints for the control and structure design. The vibrational properties, the surface deformation, and the corresponding scan loss under the influence of disturbances are considered.

  3. The NET effect of dispersants - a critical review of testing and modelling of surface oil dispersion.

    PubMed

    Zeinstra-Helfrich, Marieke; Koops, Wierd; Murk, Albertinka J

    2015-11-15

    Application of chemical dispersants or mechanical dispersion on surface oil is a trade-off between surface effects (impact of floating oil) and sub-surface effects (impact of suspended oil). Making an informed decision regarding such response, requires insight in the induced change in fate and transport of the oil. We aim to identify how natural, chemical and mechanical dispersion could be quantified in oil spill models. For each step in the dispersion process, we review available experimental data in order to identify overall trends and propose an algorithm or calculation method. Additionally, the conditions for successful mechanical and chemical dispersion are defined. Two commonly identified key parameters in surface oil dispersion are: oil properties (viscosity and presence of dispersants) and mixing energy (often wind speed). Strikingly, these parameters play a different role in several of the dispersion sub-processes. This may explain difficulties in simply relating overall dispersion effectiveness to the individual parameters. PMID:26412415

  4. Impact of Hydrophilic Surfaces on Interfacial Water Dynamics Probed with NMR Spectroscopy

    PubMed Central

    Yoo, Hyok; Paranji, Rajan

    2011-01-01

    In suspensions of Nafion beads and of cationic gel beads, NMR spectroscopy showed two water–proton resonances, one representing intimate water layers next to the polymer surface, the other corresponding to water lying beyond. Both resonances show notably shorter spin–lattice relaxation times (T1) and smaller self-diffusion coefficients (D) indicating slower dynamics than bulk water. These findings confirm the existence of highly restricted water layers adsorbed onto hydrophilic surfaces and dynamically stable water beyond the first hydration layers. Thus, aqueous regions on the order of micrometers are dynamically different from bulk water. PMID:22003430

  5. Model for dynamic self-assembled magnetic surface structures.

    SciTech Connect

    Belkin, M.; Glatz, A.; Snezhko, A.; Aranson, I. S.; Materials Science Division; Northwestern Univ.

    2010-07-07

    We propose a first-principles model for the dynamic self-assembly of magnetic structures at a water-air interface reported in earlier experiments. The model is based on the Navier-Stokes equation for liquids in shallow water approximation coupled to Newton equations for interacting magnetic particles suspended at a water-air interface. The model reproduces most of the observed phenomenology, including spontaneous formation of magnetic snakelike structures, generation of large-scale vortex flows, complex ferromagnetic-antiferromagnetic ordering of the snake, and self-propulsion of bead-snake hybrids.

  6. Molecular dynamics simulation of bicrystalline metal surface treatment

    SciTech Connect

    Nikonov, A. Yu.

    2015-10-27

    The paper reports the molecular dynamics simulation results on the behavior of a copper crystallite in local frictional contact. The crystallite has a perfect defect-free structure and contains a high-angle grain boundary of type Σ5. The influence of the initial structure on the specimen behavior under loading was analyzed. It is shown that nanoblocks are formed in the subsurface layer. The atomic mechanism of nanofragmentation was studied. A detailed analysis of atomic displacements in the blocks showed that the displacements are rotational. Calculations revealed that the misorientation angle of formed nanoblocks along different directions does not exceed 2 degrees.

  7. Dynamical models for sand ripples beneath surface waves.

    PubMed

    Andersen, K H; Chabanol, M L; van Hecke, M

    2001-06-01

    We introduce order parameter models for describing the dynamics of sand ripple patterns under oscillatory flow. A crucial ingredient of these models is the mass transport between adjacent ripples, which we obtain from detailed numerical simulations for a range of ripple sizes. Using this mass transport function, our models predict the existence of a stable band of wave numbers limited by secondary instabilities. Small ripples coarsen in our models and this process leads to a sharply selected final wave number, in agreement with experimental observations. PMID:11415228

  8. Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

    SciTech Connect

    Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.; Wick, Collin D.

    2015-06-01

    In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficient layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE funded work performed by Liem X. Dang. Battelle operates the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.

  9. Unifying the controlling mechanisms for the critical heat flux and quenching: The ability of liquid to contact the hot surface

    SciTech Connect

    Unal, C.; Daw, V.; Nelson, R.A.

    1990-01-01

    We investigate the hypothesis that the critical heat flux (CHF) occurs when some point on a heated surface reaches a temperature high enough so that liquid can no longer maintain contact at that point, resulting in a gradual but continuous increase in the overall surface temperature. This hypothesis unifies the occurrence of the CHF with the quenching of hot surfaces by relating them to the same concept: the ability of a liquid to contact a hot surface, generally defined as some fraction of liquid's homogenous nucleation temperature, depending upon the contact angle. The proposed hypothesis about the occurrence of the CHF is investigated through study of the boiling mechanism of the second transition region of nucleate pool boiling. A two-dimensional transient conduction heat-transfer model was developed to investigate the heat-transfer mechanism. The initial macrolayer thickness on the dry portion of the heater, in the second transition region, was found to be bounded between 0 and 11 microns for a copper heater. The results indicated that the critical liquid-solid contact temperature at the onset of CHF must be lower than the homogeneous nucleation temperature of the liquid for the pool boiling of water on a clean horizontal surface. The liquid-solid contact temperature was dependent upon the initial liquid macrolayer thickness, varying from 180{degree}C to 157{degree}C for initial macrolayer thicknesses of 0 and 11 microns, respectively. These values are in good agreement with extrapolated contact temperature data at the onset of film boiling. This indicates that the mechanism for the occurrence of the CHF could be similar to the mechanism generally accepted for the quenching of the hot surfaces.

  10. Collective Lipid Bilayer Dynamics Excited by Surface Acoustic Waves

    NASA Astrophysics Data System (ADS)

    Reusch, T.; Schülein, F. J. R.; Nicolas, J. D.; Osterhoff, M.; Beerlink, A.; Krenner, H. J.; Müller, M.; Wixforth, A.; Salditt, T.

    2014-09-01

    We use standing surface acoustic waves to induce coherent phonons in model lipid multilayers deposited on a piezoelectric surface. Probing the structure by phase-controlled stroboscopic x-ray pulses we find that the internal lipid bilayer electron density profile oscillates in response to the externally driven motion of the lipid film. The structural response to the well-controlled motion is a strong indication that bilayer structure and membrane fluctuations are intrinsically coupled, even though these structural changes are averaged out in equilibrium and time integrating measurements. Here the effects are revealed by a timing scheme with temporal resolution on the picosecond scale in combination with the sub-nm spatial resolution, enabled by high brilliance synchrotron x-ray reflectivity.

  11. Input dynamics of pesticide transformation products into surface water

    NASA Astrophysics Data System (ADS)

    Kern, Susanne; Singer, Heinz; Hollender, Juliane; Schwarzenbach, René P.; Fenner, Kathrin

    2010-05-01

    Some pesticide transformation products have been observed to occur in higher concentrations and more frequently than the parent active pesticide in surface water and groundwater. These products are often more mobile and sometimes more stable than the parent pesticide. If they also represent the major product into which the parent substance is transformed, these transformation products may dominate observed pesticide occurrences in surface water and groundwater. Their potential contribution to the overall risk to the aquatic environment caused by the use of the parent pesticide should therefore not be neglected in chemical risk and water quality assessments. The same is true for transformation products of other compound classes that might reach the soil environment, such as veterinary pharmaceuticals. However, the fate and input pathways of transformation products of soil-applied chemicals into surface water are not yet well understood, which largely prevents their appropriate inclusion into chemical risk and water quality assessments. Here, we studied whether prioritization methods based on available environmental fate data from pesticide registration dossiers in combination with basic fate models could help identify transformation products which can be found in relevant concentrations in surface and groundwater and which should therefore be included into monitoring programs. A three-box steady state model containing air, soil, and surface water compartments was used to predict relative inputs of pesticide transformation products into surface waters based on their physico-chemical and environmental fate properties. The model predictions were compared to monitoring data from a small Swiss river located in an intensely agricultural catchment (90 km2) which was flow-proportionally sampled from May to October 2008 and screened for 74 pesticides as well as 50 corresponding transformation products. Sampling mainly occurred during high discharge, but additional samples

  12. Effect of surface topography upon micro-impact dynamics

    NASA Astrophysics Data System (ADS)

    Mohammadpour, M.; Morris, N. J.; Leighton, M.; Rahnejat, H.

    2016-03-01

    Often the effect of interactions at nano-scale determines the tribological performance of load bearing contacts. This is particularly the case for lightly loaded conjunctions where a plethora of short range kinetic interactions occur. It is also true of larger load bearing conjunctions where boundary interactions become dominant. At the diminutive scale of fairly smooth surface topography the cumulative discrete interactions give rise to the dominance of boundary effects rather than the bulk micro-scale phenomena, based on continuum mechanics. The integration of the manifold localized discrete interactions into a continuum is the pre-requisite to the understanding of characteristic boundary effects, which transcend the physical length scales and affect the key observed system attributes. These are energy efficiency and vibration refinement. This paper strives to present such an approach. It is shown that boundary and near boundary interactions can be adequately described by surface topographical measures, as well the thermodynamic conditions.

  13. Electronically non-adiabatic influences in surface chemistry and dynamics.

    PubMed

    Wodtke, Alec M

    2016-07-01

    Electronically nonadiabatic interactions between molecules and metal surfaces are now well known. Evidence is particularly clear from studies of diatomic molecules that molecular vibration can be strongly coupled to electrons of the metal leading to efficient energy transfer between these two kinds of motion. Since molecular vibration is the same motion needed for bond breaking, it is logical to postulate that electronically nonadiabatic influences on surface chemical reaction probabilities would be strong. Still there are few if any examples where such influences have been clearly investigated. This review recounts the evidence for and against the aforementioned postulate emphasizing reacting systems that have yet to receive full attention and where electronically nonadiabatic influence of reaction probabilities might be clearly demonstrated. PMID:27152489

  14. Critical current from dynamical boundary instability for fully frustrated Josephson junction arrays

    NASA Astrophysics Data System (ADS)

    Kim, Beom Jun; Minnhagen, Petter

    2000-03-01

    We investigate numerically the critical current of two-dimensional fully frustrated arrays of resistively shunted Josephson junctions at zero temperature. It is shown that a domino-type mechanism is responsible for the existence of a critical current lower than the one predicted from the translationally invariant flux lattice. This domino mechanism is demonstrated for uniform-current injection as well as for various busbar conditions. It is also found that inhomogeneities close to the contacts make it harder for the domino propagation to start, which increases the critical current towards the value based on the translational invariance. This domino-type vortex motion can be observed in experiments as voltage pulses propagating from the contacts through the array.

  15. Surface effects on dynamic stability and loading during outdoor running using wireless trunk accelerometry.

    PubMed

    Schütte, Kurt H; Aeles, Jeroen; De Beéck, Tim Op; van der Zwaard, Babette C; Venter, Rachel; Vanwanseele, Benedicte

    2016-07-01

    Despite frequently declared benefits of using wireless accelerometers to assess running gait in real-world settings, available research is limited. The purpose of this study was to investigate outdoor surface effects on dynamic stability and dynamic loading during running using tri-axial trunk accelerometry. Twenty eight runners (11 highly-trained, 17 recreational) performed outdoor running on three outdoor training surfaces (concrete road, synthetic track and woodchip trail) at self-selected comfortable running speeds. Dynamic postural stability (tri-axial acceleration root mean square (RMS) ratio, step and stride regularity, sample entropy), dynamic loading (impact and breaking peak amplitudes and median frequencies), as well as spatio-temporal running gait measures (step frequency, stance time) were derived from trunk accelerations sampled at 1024Hz. Results from generalized estimating equations (GEE) analysis showed that compared to concrete road, woodchip trail had several significant effects on dynamic stability (higher AP ratio of acceleration RMS, lower ML inter-step and inter-stride regularity), on dynamic loading (downward shift in vertical and AP median frequency), and reduced step frequency (p<0.05). Surface effects were unaffected when both running level and running speed were added as potential confounders. Results suggest that woodchip trails disrupt aspects of dynamic stability and loading that are detectable using a single trunk accelerometer. These results provide further insight into how runners adapt their locomotor biomechanics on outdoor surfaces in situ. PMID:27318455

  16. One-step tumor detection from dynamic morphology tracking on aptamer-grafted surfaces

    PubMed Central

    Mahmood, Mohammed Arif I.; Hasan, Mohammad Raziul; Khan, Umair J. M.; Allen, Peter B.; Kim, Young-tae; Ellington, Andrew D.; Iqbal, Samir M.

    2015-01-01

    In this paper, we report a one-step tumor cell detection approach based on the dynamic morphological behavior tracking of cancer cells on a ligand modified surface. Every cell on the surface was tracked in real time for several minutes immediately after seeding until these were finally attached. Cancer cells were found to be very active in the aptamer microenvironment, changing their shapes rapidly from spherical to semi-elliptical, with much flatter spread and extending pseudopods at regular intervals. When incubated on a functionalized surface, the balancing forces between cell surface molecules and the surface-bound aptamers, together with the flexibility of the membranes, caused cells to show these distinct dynamic activities and variations in their morphologies. On the other hand, healthy cells remained distinguishingly inactive on the surface over the same period. The quantitative image analysis of cell morphologies provided feature vectors that were statistically distinct between normal and cancer cells. PMID:26753172

  17. What can we learn about a dynamical length scale in glasses from measurements of surface mobility?

    NASA Astrophysics Data System (ADS)

    Forrest, J. A.

    2013-08-01

    We consider the ability of recent measurements on the size of a liquid-like mobile surface region in glasses to provide direct information on the length scale of enhanced surface mobility. While these quantities are strongly related there are important distinctions that limit the ability of measurements to quantify the actual length over which the surface properties change from surface to bulk-like. In particular, we show that for temperatures near the bulk glass transition, measurements of a liquid-like mobile layer may have very limited predictive power when it comes to determining the temperature dependent length scale of enhanced surface mobility near the glass transition temperature. This places important limitations on the ability of measurements of such enhanced surface dynamics to contribute to discussion on the length scale for dynamical correlation in glassy materials.

  18. Development and use of an apparatus to measure the dynamic surface properties of coal-water slurry fuels for applications to atomization characteristics

    SciTech Connect

    Kihm, K.D.

    1993-01-31

    The Texas A M University (TAMU) has been awarded a DOE contract to study dynamic properties and atomization characteristics of coal-water slurry (CWS) fuels. Additives are essential for better mixing and stable suspension of coal powders and these additives change CWS properties. Dynamic properties will have major effects on CWS fuel atomization, which constitutes highly dynamic processes, and will determine the combustion as well as the pollutant formation behaviors. The dynamic surface tension of CWS fuels can be much higher than the corresponding static surface tension. Experimental study of correlating the atomization characteristics and dynamic properties of CWS fuels will be performed during the contract period. The research projects consists of five tasks. Task 1 selects appropriate additives and surfactants for CWS fuels by measuring the stabilizing characteristics and critical micelle concentrations (CMC). Task 2 implements the dynamic surface tensiometer operating based on the formation of maximum bubble pressure. Task 3 measures dynamic properties of CWS fuels as functions of bubble frequency while the fuel parameters are varied. The fuel parameters include coal loading, type of stabilizer and type of surfactant. Task 4 will devise a CWS fuel spray system and Task 5 will measure the spray droplet sizes using a laser diffraction technique.

  19. Ocean current surface measurement using dynamic elevations obtained by the GEOS-3 radar altimeter

    NASA Technical Reports Server (NTRS)

    Leitao, C. D.; Huang, N. E.; Parra, C. G.

    1977-01-01

    Remote Sensing of the ocean surface from the GEOS-3 satellite using radar altimeter data has confirmed that the altimeter can detect the dynamic ocean topographic elevations relative to an equipotential surface, thus resulting in a reliable direct measurement of the ocean surface. Maps of the ocean dynamic topography calculated over a one month period and with 20 cm contour interval are prepared for the last half of 1975. The Gulf Stream is observed by the rapid slope change shown by the crowding of contours. Cold eddies associated with the current are seen as roughly circular depressions.

  20. Evolution from surface-influenced to bulk-like dynamics in nanoscopically confined water.

    PubMed

    Romero-Vargas Castrillón, Santiago; Giovambattista, Nicolás; Aksay, Ilhan A; Debenedetti, Pablo G

    2009-06-11

    We use molecular dynamics simulations to study the influence of confinement on the dynamics of a nanoscopic water film at T = 300 K and rho = 1.0 g cm(-3). We consider two infinite hydrophilic (beta-cristobalite) silica surfaces separated by distances between 0.6 and 5.0 nm. The width of the region characterized by surface-dominated slowing down of water rotational dynamics is approximately 0.5 nm, while the corresponding width for translational dynamics is approximately 1.0 nm. The different extent of perturbation undergone by the in-plane dynamic properties is evidence of rotational-translational decoupling. The local in-plane rotational relaxation time and translational diffusion coefficient collapse onto confinement-independent "master" profiles as long as the separation d >or= 1.0 nm. Long-time tails in the perpendicular component of the dipole moment autocorrelation function are indicative of anisotropic behavior in the rotational relaxation. PMID:19449830