Capillary Rise: Validity of the Dynamic Contact Angle Models.

PubMed

Wu, Pingkeng; Nikolov, Alex D; Wasan, Darsh T

2017-08-15

The classical Lucas-Washburn-Rideal (LWR) equation, using the equilibrium contact angle, predicts a faster capillary rise process than experiments in many cases. The major contributor to the faster prediction is believed to be the velocity dependent dynamic contact angle. In this work, we investigated the dynamic contact angle models for their ability to correct the dynamic contact angle effect in the capillary rise process. We conducted capillary rise experiments of various wetting liquids in borosilicate glass capillaries and compared the model predictions with our experimental data. The results show that the LWR equations modified by the molecular kinetic theory and hydrodynamic model provide good predictions on the capillary rise of all the testing liquids with fitting parameters, while the one modified by Joos' empirical equation works for specific liquids, such as silicone oils. The LWR equation modified by molecular self-layering model predicts well the capillary rise of carbon tetrachloride, octamethylcyclotetrasiloxane, and n-alkanes with the molecular diameter or measured solvation force data. The molecular self-layering model modified LWR equation also has good predictions on the capillary rise of silicone oils covering a wide range of bulk viscosities with the same key parameter W(0), which results from the molecular self-layering. The advantage of the molecular self-layering model over the other models reveals the importance of the layered molecularly thin wetting film ahead of the main meniscus in the energy dissipation associated with dynamic contact angle. The analysis of the capillary rise of silicone oils with a wide range of bulk viscosities provides new insights into the capillary dynamics of polymer melts.

Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet.

PubMed

Rana, Malay Kumar; Chandra, Amalendu

2013-05-28

The behavior of water near a graphene sheet is investigated by means of ab initio and classical molecular dynamics simulations. The wetting of the graphene sheet by ab initio water and the relation of such behavior to the strength of classical dispersion interaction between surface atoms and water are explored. The first principles simulations reveal a layered solvation structure around the graphene sheet with a significant water density in the interfacial region implying no drying or cavitation effect. It is found that the ab initio results of water density at interfaces can be reproduced reasonably well by classical simulations with a tuned dispersion potential between the surface and water molecules. Calculations of vibrational power spectrum from ab initio simulations reveal a shift of the intramolecular stretch modes to higher frequencies for interfacial water molecules when compared with those of the second solvation later or bulk-like water due to the presence of free OH modes near the graphene sheet. Also, a weakening of the water-water hydrogen bonds in the vicinity of the graphene surface is found in our ab initio simulations as reflected in the shift of intermolecular vibrational modes to lower frequencies for interfacial water molecules. The first principles calculations also reveal that the residence and orientational dynamics of interfacial water are somewhat slower than those of the second layer or bulk-like molecules. However, the lateral diffusion and hydrogen bond relaxation of interfacial water molecules are found to occur at a somewhat faster rate than that of the bulk-like water molecules. The classical molecular dynamics simulations with tuned Lennard-Jones surface-water interaction are found to produce dynamical results that are qualitatively similar to those of ab initio molecular dynamics simulations.

Tunable Bragg filters with a phase transition material defect layer

DOE PAGES

Wang, Xi; Gong, Zilun; Dong, Kaichen; ...

2016-01-01

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

Tunable Bragg filters with a phase transition material defect layer

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

Wang, Xi; Gong, Zilun; Dong, Kaichen

We propose an all-solid-state tunable Bragg filter with a phase transition material as the defect layer. Bragg filters based on a vanadium dioxide defect layer sandwiched between silicon dioxide/titanium dioxide Bragg gratings are experimentally demonstrated. Temperature dependent reflection spectroscopy shows the dynamic tunability and hysteresis properties of the Bragg filter. Temperature dependent Raman spectroscopy reveals the connection between the tunability and the phase transition of the vanadium dioxide defect layer. This work paves a new avenue in tunable Bragg filter designs and promises more applications by combining phase transition materials and optical cavities.

Charge-induced equilibrium dynamics and structure at the Ag(001)–electrolyte interface

DOE PAGES

Karl Jr., Robert M.; Barbour, Andi; Komanicky, Vladimir; ...

2015-06-08

We have measured the applied potential dependent rate of atomic step motion of the Ag (001) surface in weak NaF electrolyte using a new extension of the technique of X-ray Photon Correlation Spectroscopy (XPCS). Furthermore, concurrent specular x-ray scattering measurements reveal how the ordering of the water layers at the interface correlates with the dynamics.

Distribution pattern of picoplankton carbon biomass linked to mesoscale dynamics in the southern gulf of Mexico during winter conditions

NASA Astrophysics Data System (ADS)

Linacre, Lorena; Lara-Lara, Rubén; Camacho-Ibar, Víctor; Herguera, Juan Carlos; Bazán-Guzmán, Carmen; Ferreira-Bartrina, Vicente

2015-12-01

In order to characterize the carbon biomass spatial distribution of autotrophic and heterotrophic picoplankton populations linked to mesoscale dynamics, an investigation over an extensive open-ocean region of the southern Gulf of Mexico (GM) was conducted. Seawater samples from the mixed layer were collected during wintertime (February-March 2013). Picoplankton populations were counted and sorted using flow cytometry analyses. Carbon biomass was assessed based on in situ cell abundances and conversion factors from the literature. Approximately 46% of the total picoplankton biomass was composed of three autotrophic populations (Prochlorococcus, Synechococcus, and pico-eukaryotes), while 54% consisted of heterotrophic bacteria populations. Prochlorococcus spp. was the most abundant pico-primary producer (>80%), and accounted for more than 60% of the total pico-autotrophic biomass. The distribution patterns of picoplankton biomass were strongly associated with the mesoscale dynamics that modulated the hydrographic conditions of the surface mixed layer. The main features of the carbon distribution pattern were: (1) the deepening of picoplankton biomass to layers closer to the nitracline base in anticyclonic eddies; (2) the shoaling of picoplankton biomass in cyclonic eddies, constraining the autoprokaryote biomasses to the upper layers, as well as accumulating the pico-eukaryote biomass in the cold core of the eddies; and (3) the increase of heterotrophic bacteria biomass in frontal regions between counter-paired anticyclonic and cyclonic eddies. Factors related to nutrient preferences and light conditions may as well have contributed to the distribution pattern of the microbial populations. The findings reveal the great influence of the mesoscale dynamics on the distribution of picoplankton populations within the mixed layer. Moreover, the significance of microbial components (especially Prochlorococcus) in the southern GM during winter conditions was revealed, indicating that they may play an important role in the pelagic food web, and that they may have a substantial impact on the carbon cycle in oligotrophic regions.

Wave like signatures in aerosol optical depth and associated radiative impacts over the central Himalayan region

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

Shukla, K. K.; Phanikumar, D. V.; Kumar, K.  Niranjan

2015-10-01

In this study, we present a case study on 16 October 2011 to show the first observational evidence of the influence of short period gravity waves in aerosol transport during daytime over the central Himalayan region. The Doppler lidar data has been utilized to address the daytime boundary layer evolution and related aerosol dynamics over the site. Mixing layer height is estimated by wavelet covariance transform method and found to be ~ 0.7 km, AGL. Aerosol optical depth observations during daytime revealed an asymmetry showing clear enhancement during afternoon hours as compared to forenoon. Interestingly, Fourier and wavelet analysis ofmore » vertical velocity and attenuated backscatter showed similar 50-90 min short period gravity wave signatures during afternoon hours. Moreover, our observations showed that gravity waves are dominant within the boundary layer implying that the daytime boundary layer dynamics is playing a vital role in transporting the aerosols from surface to the top of the boundary layer. Similar modulations are also evident in surface parameters like temperature, relative humidity and wind speed indicating these waves are associated with the dynamical aspects over Himalayan region. Finally, time evolution of range-23 height indicator snapshots during daytime showed strong upward velocities especially during afternoon hours implying that convective processes through short period gravity waves plays a significant role in transporting aerosols from the nearby valley region to boundary layer top over the site. These observations also establish the importance of wave induced daytime convective boundary layer dynamics in the lower Himalayan region.« less

Ultrafast structural and electronic dynamics of the metallic phase in a layered manganite

PubMed Central

Piazza, L.; Ma, C.; Yang, H. X.; Mann, A.; Zhu, Y.; Li, J. Q.; Carbone, F.

2013-01-01

The transition between different states in manganites can be driven by various external stimuli. Controlling these transitions with light opens the possibility to investigate the microscopic path through which they evolve. We performed femtosecond (fs) transmission electron microscopy on a bi-layered manganite to study its response to ultrafast photoexcitation. We show that a photoinduced temperature jump launches a pressure wave that provokes coherent oscillations of the lattice parameters, detected via ultrafast electron diffraction. Their impact on the electronic structure are monitored via ultrafast electron energy loss spectroscopy, revealing the dynamics of the different orbitals in response to specific structural distortions. PMID:26913564

Phenotyping for the dynamics of field wheat root system architecture

NASA Astrophysics Data System (ADS)

Chen, Xinxin; Ding, Qishuo; Błaszkiewicz, Zbigniew; Sun, Jiuai; Sun, Qian; He, Ruiyin; Li, Yinian

2017-01-01

We investigated a method to quantify field-state wheat RSA in a phenotyping way, depicting the 3D topology of wheat RSA in 14d periods. The phenotyping procedure, proposed for understanding the spatio-temporal variations of root-soil interaction and the RSA dynamics in the field, is realized with a set of indices of mm scale precision, illustrating the gradients of both wheat root angle and elongation rate along soil depth, as well as the foraging potential along the side directions. The 70d was identified as the shifting point distinguishing the linear root length elongation from power-law development. Root vertical angle in the 40 mm surface soil layer was the largest, but steadily decreased along the soil depth. After 98d, larger root vertical angle appeared in the deep soil layers. PAC revealed a stable root foraging potential in the 0-70d period, which increased rapidly afterwards (70-112d). Root foraging potential, explained by MaxW/MaxD ratio, revealed an enhanced gravitropism in 14d period. No-till post-paddy wheat RLD decreased exponentially in both depth and circular directions, with 90% roots concentrated within the top 20 cm soil layer. RER along soil depth was either positive or negative, depending on specific soil layers and the sampling time.

Phenotyping for the dynamics of field wheat root system architecture

PubMed Central

Chen, Xinxin; Ding, Qishuo; Błaszkiewicz, Zbigniew; Sun, Jiuai; Sun, Qian; He, Ruiyin; Li, Yinian

2017-01-01

We investigated a method to quantify field-state wheat RSA in a phenotyping way, depicting the 3D topology of wheat RSA in 14d periods. The phenotyping procedure, proposed for understanding the spatio-temporal variations of root-soil interaction and the RSA dynamics in the field, is realized with a set of indices of mm scale precision, illustrating the gradients of both wheat root angle and elongation rate along soil depth, as well as the foraging potential along the side directions. The 70d was identified as the shifting point distinguishing the linear root length elongation from power-law development. Root vertical angle in the 40 mm surface soil layer was the largest, but steadily decreased along the soil depth. After 98d, larger root vertical angle appeared in the deep soil layers. PAC revealed a stable root foraging potential in the 0–70d period, which increased rapidly afterwards (70–112d). Root foraging potential, explained by MaxW/MaxD ratio, revealed an enhanced gravitropism in 14d period. No-till post-paddy wheat RLD decreased exponentially in both depth and circular directions, with 90% roots concentrated within the top 20 cm soil layer. RER along soil depth was either positive or negative, depending on specific soil layers and the sampling time. PMID:28079107

Topological structure dynamics revealing collective evolution in active nematics

PubMed Central

Shi, Xia-qing; Ma, Yu-qiang

2013-01-01

Topological defects frequently emerge in active matter like bacterial colonies, cytoskeleton extracts on substrates, self-propelled granular or colloidal layers and so on, but their dynamical properties and the relations to large-scale organization and fluctuations in these active systems are seldom touched. Here we reveal, through a simple model for active nematics using self-driven hard elliptic rods, that the excitation, annihilation and transportation of topological defects differ markedly from those in non-active media. These dynamical processes exhibit strong irreversibility in active nematics in the absence of detailed balance. Moreover, topological defects are the key factors in organizing large-scale dynamic structures and collective flows, resulting in multi-spatial temporal effects. These findings allow us to control the self-organization of active matter through topological structures. PMID:24346733

Ultrafast carrier dynamics in GaN/InGaN multiple quantum wells nanorods

NASA Astrophysics Data System (ADS)

Chen, Weijian; Wen, Xiaoming; Latzel, Michael; Yang, Jianfeng; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Christiansen, Silke; Conibeer, Gavin

2018-01-01

GaN/InGaN multiple quantum wells (MQW) is a promising material for high-efficiency solid-state lighting. Ultrafast optical pump-probe spectroscopy is an important characterization technique for examining fundamental phenomena in semiconductor nanostructure with sub-picosecond resolution. In this study, ultrafast exciton and charge carrier dynamics in GaN/InGaN MQW planar layer and nanorod are investigated using femtosecond transient absorption (TA) techniques at room temperature. Here nanorods are fabricated by etching the GaN/InGaN MQW planar layers using nanosphere lithography and reactive ion etching. Photoluminescence efficiency of the nanorods have been proved to be much higher than that of the planar layers, but the mechanism of the nanorod structure improvement of PL efficiency is not adequately studied. By comparing the TA profile of the GaN/InGaN MQW planar layers and nanorods, the impact of surface states and nanorods lateral confinement in the ultrafast carrier dynamics of GaN/InGaN MQW is revealed. The nanorod sidewall surface states have a strong influence on the InGaN quantum well carrier dynamics. The ultrafast relaxation processes studied in this GaN/InGaN MQW nanostructure is essential for further optimization of device application.

Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression.

PubMed

Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella

2008-05-14

We report herein ab initio molecular dynamics simulations of graphite under shock compression in conjunction with the multiscale shock technique. Our simulations reveal that a novel short-lived layered diamond intermediate is formed within a few hundred of femtoseconds upon shock loading at a shock velocity of 12 kms (longitudinal stress>130 GPa), followed by formation of cubic diamond. The layered diamond state differs from the experimentally observed hexagonal diamond intermediate found at lower pressures and previous hydrostatic calculations in that a rapid buckling of the graphitic planes produces a mixture of hexagonal and cubic diamond (layered diamond). Direct calculation of the x-ray absorption spectra in our simulations reveals that the electronic structure of the final state closely resembles that of compressed cubic diamond.

Modeling of Stick-Slip Behavior in Sheared Granular Fault Gouge Using the Combined Finite-Discrete Element Method

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

Gao, Ke; Euser, Bryan J.; Rougier, Esteban

Sheared granular layers undergoing stick-slip behavior are broadly employed to study the physics and dynamics of earthquakes. In this paper, a two-dimensional implementation of the combined finite-discrete element method (FDEM), which merges the finite element method (FEM) and the discrete element method (DEM), is used to explicitly simulate a sheared granular fault system including both gouge and plate, and to investigate the influence of different normal loads on seismic moment, macroscopic friction coefficient, kinetic energy, gouge layer thickness, and recurrence time between slips. In the FDEM model, the deformation of plates and particles is simulated using the FEM formulation whilemore » particle-particle and particle-plate interactions are modeled using DEM-derived techniques. The simulated seismic moment distributions are generally consistent with those obtained from the laboratory experiments. In addition, the simulation results demonstrate that with increasing normal load, (i) the kinetic energy of the granular fault system increases; (ii) the gouge layer thickness shows a decreasing trend; and (iii) the macroscopic friction coefficient does not experience much change. Analyses of the slip events reveal that, as the normal load increases, more slip events with large kinetic energy release and longer recurrence time occur, and the magnitude of gouge layer thickness decrease also tends to be larger; while the macroscopic friction coefficient drop decreases. Finally, the simulations not only reveal the influence of normal loads on the dynamics of sheared granular fault gouge, but also demonstrate the capabilities of FDEM for studying stick-slip dynamic behavior of granular fault systems.« less

Modeling of Stick-Slip Behavior in Sheared Granular Fault Gouge Using the Combined Finite-Discrete Element Method

DOE PAGES

Gao, Ke; Euser, Bryan J.; Rougier, Esteban; ...

2018-06-20

Sheared granular layers undergoing stick-slip behavior are broadly employed to study the physics and dynamics of earthquakes. In this paper, a two-dimensional implementation of the combined finite-discrete element method (FDEM), which merges the finite element method (FEM) and the discrete element method (DEM), is used to explicitly simulate a sheared granular fault system including both gouge and plate, and to investigate the influence of different normal loads on seismic moment, macroscopic friction coefficient, kinetic energy, gouge layer thickness, and recurrence time between slips. In the FDEM model, the deformation of plates and particles is simulated using the FEM formulation whilemore » particle-particle and particle-plate interactions are modeled using DEM-derived techniques. The simulated seismic moment distributions are generally consistent with those obtained from the laboratory experiments. In addition, the simulation results demonstrate that with increasing normal load, (i) the kinetic energy of the granular fault system increases; (ii) the gouge layer thickness shows a decreasing trend; and (iii) the macroscopic friction coefficient does not experience much change. Analyses of the slip events reveal that, as the normal load increases, more slip events with large kinetic energy release and longer recurrence time occur, and the magnitude of gouge layer thickness decrease also tends to be larger; while the macroscopic friction coefficient drop decreases. Finally, the simulations not only reveal the influence of normal loads on the dynamics of sheared granular fault gouge, but also demonstrate the capabilities of FDEM for studying stick-slip dynamic behavior of granular fault systems.« less

Cell Class-Dependent Intracortical Connectivity and Output Dynamics of Layer 6 Projection Neurons of the Rat Primary Visual Cortex.

PubMed

Cotel, Florence; Fletcher, Lee N; Kalita-de Croft, Simon; Apergis-Schoute, John; Williams, Stephen R

2018-07-01

Neocortical information processing is powerfully influenced by the activity of layer 6 projection neurons through control of local intracortical and subcortical circuitry. Morphologically distinct classes of layer 6 projection neuron have been identified in the mammalian visual cortex, which exhibit contrasting receptive field properties, but little information is available on their functional specificity. To address this we combined anatomical tracing techniques with high-resolution patch-clamp recording to identify morphological and functional distinct classes of layer 6 projection neurons in the rat primary visual cortex, which innervated separable subcortical territories. Multisite whole-cell recordings in brain slices revealed that corticoclaustral and corticothalamic layer 6 projection neurons exhibited similar somatically recorded electrophysiological properties. These classes of layer 6 projection neurons were sparsely and reciprocally synaptically interconnected, but could be differentiated by cell-class, but not target-cell-dependent rules of use-dependent depression and facilitation of unitary excitatory synaptic output. Corticoclaustral and corticothalamic layer 6 projection neurons were differentially innervated by columnar excitatory circuitry, with corticoclaustral, but not corticothalamic, neurons powerfully driven by layer 4 pyramidal neurons, and long-range pathways conveyed in neocortical layer 1. Our results therefore reveal projection target-specific, functionally distinct, streams of layer 6 output in the rodent neocortex.

INTERNAL DYNAMICS OF A TWIN-LAYER SOLAR PROMINENCE

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

Xia, C.; Keppens, R.

Modern observations revealed rich dynamics within solar prominences. The globally stable quiescent prominences, characterized by the presence of thin vertical threads and falling knobs, are frequently invaded by small rising dark plumes. These dynamic phenomena are related to magnetic Rayleigh–Taylor instability, since prominence matter, 100 times denser than surrounding coronal plasma, is lifted against gravity by weak magnetic field. To get a deeper understanding of the physics behind these phenomena, we use three-dimensional magnetohydrodynamic simulations to investigate the nonlinear magnetoconvective motions in a twin-layer prominence in a macroscopic model from chromospheric layers up to 30 Mm height. The properties ofmore » simulated falling “fingers” and uprising bubbles are consistent with those in observed vertical threads and rising plumes in quiescent prominences. Both sheets of the twin-layer prominence show a strongly coherent evolution due to their magnetic connectivity, and demonstrate collective kink deformation. Our model suggests that the vertical threads of the prominence as seen in an edge-on view, and the apparent horizontal threads of the filament when seen top-down are different appearances of the same structures. Synthetic images of the modeled twin-layer prominence reflect the strong degree of mixing established over the entire prominence structure, in agreement with the observations.« less

Charge Induced Dynamics of Water in a Graphene–Mica Slit Pore

PubMed Central

2017-01-01

We use atomic force microscopy to in situ investigate the dynamic behavior of confined water at the interface between graphene and mica. The graphene is either uncharged, negatively charged, or positively charged. At high humidity, a third water layer will intercalate between graphene and mica. When graphene is negatively charged, the interface fills faster with a complete three layer water film, compared to uncharged graphene. As charged positively, the third water layer dewets the interface, either by evaporation into the ambient or by the formation of three-dimensional droplets under the graphene, on top of the bilayer. Our experimental findings reveal novel phenomena of water at the nanoscale, which are interesting from a fundamental point of view and demonstrate the direct control over the wetting properties of the graphene/water interface. PMID:28985466

Self-organization in multilayer network with adaptation mechanisms based on competition

NASA Astrophysics Data System (ADS)

Pitsik, Elena N.; Makarov, Vladimir V.; Nedaivozov, Vladimir O.; Kirsanov, Daniil V.; Goremyko, Mikhail V.

2018-04-01

The paper considers the phenomena of competition in multiplex network whose structure evolves corresponding to dynamics of it's elements, forming closed loop of self-learning with the aim to reach the optimal topology. Numerical analysis of proposed model shows that it is possible to obtain scale-invariant structures for corresponding parameters as well as the structures with homogeneous distribution of connections in the layers. Revealed phenomena emerges as the consequence of the self-organization processes related to structure-dynamical selflearning based on homeostasis and homophily, as well as the result of the competition between the network's layers for optimal topology. It was shown that in the mode of partial and cluster synchronization the network reaches scale-free topology of complex nature that is different from layer to layer. However, in the mode of global synchronization the homogeneous topologies on all layer of the network are observed. This phenomenon is tightly connected with the competitive processes that represent themselves as the natural mechanism of reaching the optimal topology of the links in variety of real-world systems.

Running interfacial waves in a two-layer fluid system subject to longitudinal vibrations.

PubMed

Goldobin, D S; Pimenova, A V; Kovalevskaya, K V; Lyubimov, D V; Lyubimova, T P

2015-05-01

We study the waves at the interface between two thin horizontal layers of immiscible fluids subject to high-frequency horizontal vibrations. Previously, the variational principle for energy functional, which can be adopted for treatment of quasistationary states of free interface in fluid dynamical systems subject to vibrations, revealed the existence of standing periodic waves and solitons in this system. However, this approach does not provide regular means for dealing with evolutionary problems: neither stability problems nor ones associated with propagating waves. In this work, we rigorously derive the evolution equations for long waves in the system, which turn out to be identical to the plus (or good) Boussinesq equation. With these equations one can find all the time-independent-profile solitary waves (standing solitons are a specific case of these propagating waves), which exist below the linear instability threshold; the standing and slow solitons are always unstable while fast solitons are stable. Depending on initial perturbations, unstable solitons either grow in an explosive manner, which means layer rupture in a finite time, or falls apart into stable solitons. The results are derived within the long-wave approximation as the linear stability analysis for the flat-interface state [D.V. Lyubimov and A.A. Cherepanov, Fluid Dynamics 21, 849 (1986)] reveals the instabilities of thin layers to be long wavelength.

On the dynamics of the flow in the vicinity of micro-scale coatings composed by organized elements

NASA Astrophysics Data System (ADS)

Doosttalab, Ali; Bocanegra Evans, Humberto; Gorumlu, Serdar; Aksak, Burak; Chamorro, Leonardo P.; Castillo, Luciano

2017-11-01

A set of high-resolution PIV experiments were carried out in a refractive index-matched facility under zero pressure gradient turbulent boundary layer to investigate the flow dynamics around two customized coatings composed of uniformly distributed fibers of different geometry. The two type of fibers shared a cylindrical shape and height y+ < 1 however, one of those had diverging tip similar to that of a shark skin. Results evidence an inter-layer acting between the viscous-dominated flow within the pillars canopy (where Re 1) and the inertia dominated flow in the boundary layer. Using averaged 2D N-S equations, it is possible to show that the inter-layer wall shear stress is τoiw+ = [∂U+/∂y+ - < uv+ > ] - [Pw+h+(y+/h+ - 1) + ] , with first term in the RHS representing the wall shear stress and the second term indicating the inter-layer form drag. A wall-normal Reynolds stress exist which depends on the pressure difference across the boundary layer and at the wall, = +( - < P >) / ρ . This reveals a basic mechanism where the flow is modulated by unsteady blowing and suction at the interface.

A self-sustaining process model of inertial layer dynamics in high Reynolds number turbulent wall flows.

PubMed

Chini, G P; Montemuro, B; White, C M; Klewicki, J

2017-03-13

Field observations and laboratory experiments suggest that at high Reynolds numbers Re the outer region of turbulent boundary layers self-organizes into quasi-uniform momentum zones (UMZs) separated by internal shear layers termed 'vortical fissures' (VFs). Motivated by this emergent structure, a conceptual model is proposed with dynamical components that collectively have the potential to generate a self-sustaining interaction between a single VF and adjacent UMZs. A large-Re asymptotic analysis of the governing incompressible Navier-Stokes equation is performed to derive reduced equation sets for the streamwise-averaged and streamwise-fluctuating flow within the VF and UMZs. The simplified equations reveal the dominant physics within-and isolate possible coupling mechanisms among-these different regions of the flow.This article is part of the themed issue 'Toward the development of high-fidelity models of wall turbulence at large Reynolds number'. © 2017 The Author(s).

A self-sustaining process model of inertial layer dynamics in high Reynolds number turbulent wall flows

PubMed Central

Montemuro, B.; White, C. M.; Klewicki, J.

2017-01-01

Field observations and laboratory experiments suggest that at high Reynolds numbers Re the outer region of turbulent boundary layers self-organizes into quasi-uniform momentum zones (UMZs) separated by internal shear layers termed ‘vortical fissures’ (VFs). Motivated by this emergent structure, a conceptual model is proposed with dynamical components that collectively have the potential to generate a self-sustaining interaction between a single VF and adjacent UMZs. A large-Re asymptotic analysis of the governing incompressible Navier–Stokes equation is performed to derive reduced equation sets for the streamwise-averaged and streamwise-fluctuating flow within the VF and UMZs. The simplified equations reveal the dominant physics within—and isolate possible coupling mechanisms among—these different regions of the flow. This article is part of the themed issue ‘Toward the development of high-fidelity models of wall turbulence at large Reynolds number’. PMID:28167583

Effect of a weak layer at the base of an oceanic plate on subduction dynamics

NASA Astrophysics Data System (ADS)

Carluccio, Roberta; Kaus, Boris

2017-04-01

The plate tectonics model relies on the concept of a relatively rigid lithospheric lid moving over a weaker asthenosphere. In this frame, the lithosphere asthenosphere boundary (LAB) is a first-order discontinuity that accommodates differential motions between tectonic plates and the underlying mantle. Recent seismic studies have revealed the existence of a low velocity and high electrical conductivity layer at the base of subducting tectonic plates. This thin layer has been interpreted as being weak and slightly buoyant and was suggested to affect the dynamics of subducting plates. However, geodynamically, the role of a weak layer at the base of the lithosphere remains poorly studied, especially at subduction zones. Therefore, we here use numerical models to investigate the first-order effects of a weak buoyant layer at the LAB on subduction dynamics. We employ both 2-D and 3-D models in which the slab and mantle are either linear viscous or have a more realistic temperature-dependent visco-elastic-plastic rheology. Results show that a weak layer affects the dynamics of the plates, foremost by increasing the subduction speed. The impact of this effect depends on the thickness of the layer and the viscosity contrast between the mantle and the weak layer. For moderate viscosity contrasts (<100) and a layer thickness of 30 km, it increases the plate velocity but not the overall shape of the slab. However, for larger viscosity contrasts (>1000), it can also change the morphology of the subduction itself, perhaps because this changes the overall effective viscosity contrast between the slab the and the mantle. For thinner layers, the overall effect is reduced. Yet, if seismological observations are correct that suggests that this layer is 10 km thick and partially molten, such that the viscosity is 1000 times lower than that of the mantle, our models suggest that this effect should be measurable. Some of our models also show a pile-up of weak material in the bending zone of the subducting plate, consistent with recent seismological observations.

The Role of a Weak Layer at the Base of an Oceanic Plate on Subduction Dynamics

NASA Astrophysics Data System (ADS)

Carluccio, R.; Moresi, L. N.; Kaus, B. J. P.

2017-12-01

Plate tectonics relies on the concept of an effectively rigid lithospheric lid moving over a weaker asthenosphere. In this model, the lithosphere asthenosphere boundary (LAB) is a first-order discontinuity that accommodates differential motion between tectonic plates and the underlying mantle. Recent seismic studies have revealed the existence of a low velocity and high electrical conductivity layer at the base of subducting tectonic plates. This thin layer has been interpreted as being weak and slightly buoyant and it has the potential to influence the dynamics of subducting plates. However, geodynamically, the role of a weak layer at the base of the lithosphere remains poorly studied, especially at subduction zones. Here, we use numerical models to investigate the first-order effects of a weak buoyant layer at the LAB on subduction dynamics. We employ both 2-D and 3-D models in which the slab and the mantle are either linear viscous or have a more realistic temperature-dependent, visco-elastic-plastic rheology and we vary the properties of the layer at the base of the oceanic lithosphere. Our results show that the presence of a weak layer affects the dynamics of plates, primarily by increasing the subduction speed and also influences the morphology of subducting slab. For moderate viscosity contrasts (<100) and a layer thickness of ˜30 km, it increases the plate velocity but not the overall shape of the slab. However, for larger viscosity contrasts (>1000), it can also change the morphology of the subduction itself and for thinner and more buoyant layers, the overall effect is reduced. The overall impact of this effects may depend on the effective contrast between the properties of the slab and the weak layer + mantle systems, and so, by the layer characteristics modelled such as its viscosity, density, thickness and rheology. In this study, we show and summarise this impact consistently with the recent seismological constraints and observations, for example, a pile-up of weak material in the bending zone of the subducting plate.

Toward a Self-Consistent Dynamical Model of the NSSL

NASA Astrophysics Data System (ADS)

Matilsky, Loren

2018-01-01

The advent of helioseismology has revealed in detail the internal differential rotation profile of the Sun. In particular, the presence of two boundary layers, the tachocline at the bottom of the convection zone (CZ) and the Near Surface Shear Layer (NSSL) at the top of the CZ, has remained a mystery. These two boundary layers may have significant consequences for the internal dynamo that operates the Sun's magnetic field, and so understanding their dynamics is an important step in solar physics and in the theory of solar-like stellar structure in general. In this talk, we analyze three numerical models of hydrodynamic convection in rotating spherical shells with varying degrees of stratification in order to understand the dynamical balance of the solar near-surface shear layer (NSSL). We find that with sufficient stratification, a boundary layer with some characteristics of the NSSL develops at high latitudes, and it is maintained purely an inertial balance of torques in which the viscosity is negligible. An inward radial flux of angular momentum from the Reynold's stress (as has been predicted by theory) is balanced by the poleward latitudinal flux of angular momentum due to the meridional circulation. We analyze the similarities of the near surface shear in our models to that of the Sun, and find that the solar NSSL is most likely maintained by the inertial balance our simulations display at high latitudes, but with a modified upper boundary condition.

Laminar microvascular transit time distribution in the mouse somatosensory cortex revealed by Dynamic Contrast Optical Coherence Tomography

PubMed Central

Merkle, Conrad W.; Srinivasan, Vivek J.

2015-01-01

The transit time distribution of blood through the cerebral microvasculature both constrains oxygen delivery and governs the kinetics of neuroimaging signals such as blood-oxygen-level-dependent functional Magnetic Resonance Imaging (BOLD fMRI). However, in spite of its importance, capillary transit time distribution has been challenging to quantify comprehensively and efficiently at the microscopic level. Here, we introduce a method, called Dynamic Contrast Optical Coherence Tomography (DyC-OCT), based on dynamic cross-sectional OCT imaging of an intravascular tracer as it passes through the field-of-view. Quantitative transit time metrics are derived from temporal analysis of the dynamic scattering signal, closely related to tracer concentration. Since DyC-OCT does not require calibration of the optical focus, quantitative accuracy is achieved even deep in highly scattering brain tissue where the focal spot degrades. After direct validation of DyC-OCT against dilution curves measured using a fluorescent plasma label in surface pial vessels, we used DyC-OCT to investigate the transit time distribution in microvasculature across the entire depth of the mouse somatosensory cortex. Laminar trends were identified, with earlier transit times and less heterogeneity in the middle cortical layers. The early transit times in the middle cortical layers may explain, at least in part, the early BOLD fMRI onset times observed in these layers. The layer-dependencies in heterogeneity may help explain how a single vascular supply manages to deliver oxygen to individual cortical layers with diverse metabolic needs. PMID:26477654

Laminar microvascular transit time distribution in the mouse somatosensory cortex revealed by Dynamic Contrast Optical Coherence Tomography.

PubMed

Merkle, Conrad W; Srinivasan, Vivek J

2016-01-15

The transit time distribution of blood through the cerebral microvasculature both constrains oxygen delivery and governs the kinetics of neuroimaging signals such as blood-oxygen-level-dependent functional Magnetic Resonance Imaging (BOLD fMRI). However, in spite of its importance, capillary transit time distribution has been challenging to quantify comprehensively and efficiently at the microscopic level. Here, we introduce a method, called Dynamic Contrast Optical Coherence Tomography (DyC-OCT), based on dynamic cross-sectional OCT imaging of an intravascular tracer as it passes through the field-of-view. Quantitative transit time metrics are derived from temporal analysis of the dynamic scattering signal, closely related to tracer concentration. Since DyC-OCT does not require calibration of the optical focus, quantitative accuracy is achieved even deep in highly scattering brain tissue where the focal spot degrades. After direct validation of DyC-OCT against dilution curves measured using a fluorescent plasma label in surface pial vessels, we used DyC-OCT to investigate the transit time distribution in microvasculature across the entire depth of the mouse somatosensory cortex. Laminar trends were identified, with earlier transit times and less heterogeneity in the middle cortical layers. The early transit times in the middle cortical layers may explain, at least in part, the early BOLD fMRI onset times observed in these layers. The layer-dependencies in heterogeneity may help explain how a single vascular supply manages to deliver oxygen to individual cortical layers with diverse metabolic needs. Copyright © 2015 Elsevier Inc. All rights reserved.

Mobility and Congestion in Dynamical Multilayer Networks with Finite Storage Capacity

NASA Astrophysics Data System (ADS)

Manfredi, S.; Di Tucci, E.; Latora, V.

2018-02-01

Multilayer networks describe well many real interconnected communication and transportation systems, ranging from computer networks to multimodal mobility infrastructures. Here, we introduce a model in which the nodes have a limited capacity of storing and processing the agents moving over a multilayer network, and their congestions trigger temporary faults which, in turn, dynamically affect the routing of agents seeking for uncongested paths. The study of the network performance under different layer velocities and node maximum capacities reveals the existence of delicate trade-offs between the number of served agents and their time to travel to destination. We provide analytical estimates of the optimal buffer size at which the travel time is minimum and of its dependence on the velocity and number of links at the different layers. Phenomena reminiscent of the slower is faster effect and of the Braess' paradox are observed in our dynamical multilayer setup.

Mobility and Congestion in Dynamical Multilayer Networks with Finite Storage Capacity.

PubMed

Manfredi, S; Di Tucci, E; Latora, V

2018-02-09

Multilayer networks describe well many real interconnected communication and transportation systems, ranging from computer networks to multimodal mobility infrastructures. Here, we introduce a model in which the nodes have a limited capacity of storing and processing the agents moving over a multilayer network, and their congestions trigger temporary faults which, in turn, dynamically affect the routing of agents seeking for uncongested paths. The study of the network performance under different layer velocities and node maximum capacities reveals the existence of delicate trade-offs between the number of served agents and their time to travel to destination. We provide analytical estimates of the optimal buffer size at which the travel time is minimum and of its dependence on the velocity and number of links at the different layers. Phenomena reminiscent of the slower is faster effect and of the Braess' paradox are observed in our dynamical multilayer setup.

Towards Mott design by δ-doping of strongly correlated titanates

NASA Astrophysics Data System (ADS)

Lechermann, Frank; Obermeyer, Michael

2015-04-01

Doping the distorted-perovskite Mott insulators LaTiO3 and GdTiO3 with a single SrO layer along the [001] direction gives rise to a rich correlated electronic structure. A realistic superlattice study by means of the charge self-consistent combination of density functional theory with dynamical mean-field theory reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. An orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO2 layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in δ-doped GdTiO3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers that are coupled antiferromagnetically.

Anisotropic mechanoresponse of energetic crystallites: a quantum molecular dynamics study of nano-collision

NASA Astrophysics Data System (ADS)

Li, Ying; Kalia, Rajiv K.; Misawa, Masaaki; Nakano, Aiichiro; Nomura, Ken-Ichi; Shimamura, Kohei; Shimojo, Fuyuki; Vashishta, Priya

2016-05-01

At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision was found to originate from the twisting and bending to breaking of nitro-groups mediated by strong intra-layer hydrogen bonds. This causes the closing of the electronic energy gap due to an inverse Jahn-Teller effect. On the other hand, the insensitive collisions normal to multilayers are accomplished by more delocalized molecular deformations mediated by inter-layer interactions. Our nano-collision studies provide a much needed atomistic understanding for the rational design of insensitive energetic nanomaterials and the detonation synthesis of novel nanomaterials.At the nanoscale, chemistry can happen quite differently due to mechanical forces selectively breaking the chemical bonds of materials. The interaction between chemistry and mechanical forces can be classified as mechanochemistry. An example of archetypal mechanochemistry occurs at the nanoscale in anisotropic detonating of a broad class of layered energetic molecular crystals bonded by inter-layer van der Waals (vdW) interactions. Here, we introduce an ab initio study of the collision, in which quantum molecular dynamic simulations of binary collisions between energetic vdW crystallites, TATB molecules, reveal atomistic mechanisms of anisotropic shock sensitivity. The highly sensitive lateral collision was found to originate from the twisting and bending to breaking of nitro-groups mediated by strong intra-layer hydrogen bonds. This causes the closing of the electronic energy gap due to an inverse Jahn-Teller effect. On the other hand, the insensitive collisions normal to multilayers are accomplished by more delocalized molecular deformations mediated by inter-layer interactions. Our nano-collision studies provide a much needed atomistic understanding for the rational design of insensitive energetic nanomaterials and the detonation synthesis of novel nanomaterials. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr08769d

Interplay between local dynamics and mechanical reinforcement in glassy polymer nanocomposites

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

Holt, Adam P.; Bocharova, Vera; Cheng, Shiwang

The modification of polymer dynamics in the presence of strongly interacting nanoparticles has been shown to significantly change themacroscopic properties above the glass transition temperature of polymer nanocomposites (PNCs). However, much less attention has been paid to changes in the dynamics of glassy PNCs. Analysis of neutron and light scattering data presented herein reveals a surprising enhancement of local dynamics, e.g., fast picosecond and secondary relaxations, in glassy PNCs accompanied with a strengthening of mechanical modulus. Here we ascribe this counter-intuitive behavior to the complex interplay between chain packing and stretching within the interfacial layer formed at the polymer-nanoparticle interface.

Interplay between local dynamics and mechanical reinforcement in glassy polymer nanocomposites

DOE PAGES

Holt, Adam P.; Bocharova, Vera; Cheng, Shiwang; ...

2017-11-17

The modification of polymer dynamics in the presence of strongly interacting nanoparticles has been shown to significantly change themacroscopic properties above the glass transition temperature of polymer nanocomposites (PNCs). However, much less attention has been paid to changes in the dynamics of glassy PNCs. Analysis of neutron and light scattering data presented herein reveals a surprising enhancement of local dynamics, e.g., fast picosecond and secondary relaxations, in glassy PNCs accompanied with a strengthening of mechanical modulus. Here we ascribe this counter-intuitive behavior to the complex interplay between chain packing and stretching within the interfacial layer formed at the polymer-nanoparticle interface.

Enhanced Atom Mobility on the Surface of a Metastable Film

NASA Astrophysics Data System (ADS)

Picone, A.; Riva, M.; Fratesi, G.; Brambilla, A.; Bussetti, G.; Finazzi, M.; Duò, L.; Ciccacci, F.

2014-07-01

A remarkable enhancement of atomic diffusion is highlighted by scanning tunneling microscopy performed on ultrathin metastable body-centered tetragonal Co films grown on Fe(001). The films follow a nearly perfect layer-by-layer growth mode with a saturation island density strongly dependent on the layer on which the nucleation occurs, indicating a lowering of the diffusion barrier. Density functional theory calculations reveal that this phenomenon is driven by the increasing capability of the film to accommodate large deformations as the thickness approaches the limit at which a structural transition occurs. These results disclose the possibility of tuning surface diffusion dynamics and controlling cluster nucleation and self-organization.

Enhanced atom mobility on the surface of a metastable film.

PubMed

Picone, A; Riva, M; Fratesi, G; Brambilla, A; Bussetti, G; Finazzi, M; Duò, L; Ciccacci, F

2014-07-25

A remarkable enhancement of atomic diffusion is highlighted by scanning tunneling microscopy performed on ultrathin metastable body-centered tetragonal Co films grown on Fe(001). The films follow a nearly perfect layer-by-layer growth mode with a saturation island density strongly dependent on the layer on which the nucleation occurs, indicating a lowering of the diffusion barrier. Density functional theory calculations reveal that this phenomenon is driven by the increasing capability of the film to accommodate large deformations as the thickness approaches the limit at which a structural transition occurs. These results disclose the possibility of tuning surface diffusion dynamics and controlling cluster nucleation and self-organization.

Layering in halocarbons, methane, nitrous oxide, ozone, and water vapour over mid-latitudes

NASA Technical Reports Server (NTRS)

Orsolini, Yvan J.; Karcher, Fernand; Manney, Gloria L.; Engel, Andreas; Ovarlez, Joelle; Claud, Chantal

1997-01-01

The purpose of the balloon flights performed in March 1993 from Aire-sur-Adour (France) was to measure trace gases in the polar vortex during a dynamically active period. These balloon flights revealed coincident layering in long-lived tropospheric source gases. A layer of mid-latitude air, enriched in trace gases, was detected at sampled levels near 15 mbar. High resolution advection models, fine scale distributions of ozone, nitrous oxide, methane, and halocarbons were constructed. The calculations showed how air enriched in trace gases is sampled near 15 mbar when a filament of such air is drawn into the outer portion of the vortex.

Guided elastic waves in a pre-stressed compressible interlayer

PubMed

Sotiropoulos

2000-03-01

The propagation of guided elastic waves in a pre-stressed elastic compressible layer embedded in a different compressible material is examined. The waves propagate parallel to the planar layer interfaces as a superposed dynamic stress state on the statically pre-stressed layer and host material. The underlying stress condition in the two materials is characterized by equibiaxial in-plane deformations with common principal axes of strain, one of the axes being perpendicular to the layering. Both materials have arbitrary strain energy functions. The dispersion equation is derived in explicit form. Analysis of the dispersion equation reveals the propagation characteristics and their dependence on frequency, material parameters and stress parameters. Combinations of these parameters are also defined for which guided waves cannot propagate.

Burning Graphene Layer-by-Layer

PubMed Central

Ermakov, Victor A.; Alaferdov, Andrei V.; Vaz, Alfredo R.; Perim, Eric; Autreto, Pedro A. S.; Paupitz, Ricardo; Galvao, Douglas S.; Moshkalev, Stanislav A.

2015-01-01

Graphene, in single layer or multi-layer forms, holds great promise for future electronics and high-temperature applications. Resistance to oxidation, an important property for high-temperature applications, has not yet been extensively investigated. Controlled thinning of multi-layer graphene (MLG), e.g., by plasma or laser processing is another challenge, since the existing methods produce non-uniform thinning or introduce undesirable defects in the basal plane. We report here that heating to extremely high temperatures (exceeding 2000 K) and controllable layer-by-layer burning (thinning) can be achieved by low-power laser processing of suspended high-quality MLG in air in “cold-wall” reactor configuration. In contrast, localized laser heating of supported samples results in non-uniform graphene burning at much higher rates. Fully atomistic molecular dynamics simulations were also performed to reveal details of oxidation mechanisms leading to uniform layer-by-layer graphene gasification. The extraordinary resistance of MLG to oxidation paves the way to novel high-temperature applications as continuum light source or scaffolding material. PMID:26100466

Nonlinear Dynamics of the Nearshore Boundary Layer of a Large Lake (Lake Geneva)

NASA Astrophysics Data System (ADS)

Cimatoribus, Andrea A.; Lemmin, U.; Bouffard, D.; Barry, D. A.

2018-02-01

We examine nearshore and pelagic current variability in Lake Geneva, a large and deep lake in western Europe, using observations from several measurement locations and a three-dimensional numerical model for the period 2014-2016. Linear internal seiche modes excited by wind forcing clearly appear as peaks in the energy spectra for measurements in offshore locations. In contrast, spectra from the nearshore data, where currents interact with the lake bed, reveal a negligible contribution of internal seiches to the total kinetic energy. A similar contrast is seen in the spectra obtained from the numerical model at the same locations. Comparing the contribution of the different terms in the vertically averaged momentum equation from the modeling results shows that the nonlinear advective term dominates in the nearshore boundary layer. Its contribution decays with distance from shore. The width of this nearshore boundary layer, which may extend for several kilometers, seems to be mainly determined by local topography. Both field measurements and modeling results indicate that nonlinear dynamics are of primary importance in the nearshore boundary layer.

Deformation and fracture of explosion-welded Ti/Al plates: A synchrotron-based study

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

E, J. C.; Huang, J. Y.; Bie, B. X.

Here, explosion-welded Ti/Al plates are characterized with energy dispersive spectroscopy and x-ray computed tomography, and exhibit smooth, well-jointed, interface. We perform dynamic and quasi-static uniaxial tension experiments on Ti/Al with the loading direction either perpendicular or parallel to the Ti/Al interface, using a mini split Hopkinson tension bar and a material testing system in conjunction with time-resolved synchrotron x-ray imaging. X-ray imaging and strain-field mapping reveal different deformation mechanisms responsible for anisotropic bulk-scale responses, including yield strength, ductility and rate sensitivity. Deformation and fracture are achieved predominantly in Al layer for perpendicular loading, but both Ti and Al layers asmore » well as the interface play a role for parallel loading. The rate sensitivity of Ti/Al follows those of the constituent metals. For perpendicular loading, single deformation band develops in Al layer under quasi-static loading, while multiple deformation bands nucleate simultaneously under dynamic loading, leading to a higher dynamic fracture strain. For parallel loading, the interface impedes the growth of deformation and results in increased ductility of Ti/Al under quasi-static loading, while interface fracture occurs under dynamic loading due to the disparity in Poisson's contraction.« less

Deformation and fracture of explosion-welded Ti/Al plates: A synchrotron-based study

DOE PAGES

E, J. C.; Huang, J. Y.; Bie, B. X.; ...

2016-08-02

Here, explosion-welded Ti/Al plates are characterized with energy dispersive spectroscopy and x-ray computed tomography, and exhibit smooth, well-jointed, interface. We perform dynamic and quasi-static uniaxial tension experiments on Ti/Al with the loading direction either perpendicular or parallel to the Ti/Al interface, using a mini split Hopkinson tension bar and a material testing system in conjunction with time-resolved synchrotron x-ray imaging. X-ray imaging and strain-field mapping reveal different deformation mechanisms responsible for anisotropic bulk-scale responses, including yield strength, ductility and rate sensitivity. Deformation and fracture are achieved predominantly in Al layer for perpendicular loading, but both Ti and Al layers asmore » well as the interface play a role for parallel loading. The rate sensitivity of Ti/Al follows those of the constituent metals. For perpendicular loading, single deformation band develops in Al layer under quasi-static loading, while multiple deformation bands nucleate simultaneously under dynamic loading, leading to a higher dynamic fracture strain. For parallel loading, the interface impedes the growth of deformation and results in increased ductility of Ti/Al under quasi-static loading, while interface fracture occurs under dynamic loading due to the disparity in Poisson's contraction.« less

Gravity Wave Dynamics in a Mesospheric Inversion Layer: 2. Instabilities, Turbulence, Fluxes, and Mixing

NASA Astrophysics Data System (ADS)

Fritts, David C.; Wang, Ling; Laughman, Brian; Lund, Thomas S.; Collins, Richard L.

2018-01-01

A companion paper by Fritts, Laughman, et al. (2017) employed an anelastic numerical model to explore the dynamics of gravity waves (GWs) encountering a mesospheric inversion layer (MIL) having a moderate static stability enhancement and a layer of weaker static stability above. That study revealed that MIL responses, including GW transmission, reflection, and instabilities, are sensitive functions of GW parameters. This paper expands on two of the Fritts, Laughman, et al. (2017) simulations to examine GW instability dynamics and turbulence in the MIL; forcing of the mean wind and stability environments by GW, instability, and turbulence fluxes; and associated heat and momentum transports. These direct numerical simulations resolve turbulence inertial-range scales and yield the following results: GW breaking and turbulence in the MIL occur below where they would otherwise, due to enhancements of GW amplitudes and shears in the MIL. 2-D GW and instability heat and momentum fluxes are 20-30 times larger than 3-D instability and turbulence fluxes. Mean fields are driven largely by 2-D GW and instability dynamics rather than 3-D instabilities and turbulence. 2-D and 3-D heat fluxes in regions of strong turbulence yield small departures from initial T(z) and N2(z) profiles, hence do not yield nearly adiabatic "mixed" layers. Our MIL results are consistent with the relation between the turbulent vertical velocity variance and energy dissipation rate proposed by Weinstock (1981) for the limited intervals evaluated.

High-angular-resolution stellar imaging with occultations from the Cassini spacecraft - III. Mira

NASA Astrophysics Data System (ADS)

Stewart, Paul N.; Tuthill, Peter G.; Nicholson, Philip D.; Hedman, Matthew M.

2016-04-01

We present an analysis of spectral and spatial data of Mira obtained by the Cassini spacecraft, which not only observed the star's spectra over a broad range of near-infrared wavelengths, but was also able to obtain high-resolution spatial information by watching the star pass behind Saturn's rings. The observed spectral range of 1-5 microns reveals the stellar atmosphere in the crucial water-bands which are unavailable to terrestrial observers, and the simultaneous spatial sampling allows the origin of spectral features to be located in the stellar environment. Models are fitted to the data, revealing the spectral and spatial structure of molecular layers surrounding the star. High-resolution imagery is recovered revealing the layered and asymmetric nature of the stellar atmosphere. The observational data set is also used to confront the state-of-the-art cool opacity-sampling dynamic extended atmosphere models of Mira variables through a detailed spectral and spatial comparison, revealing in general a good agreement with some specific departures corresponding to particular spectral features.

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries

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

Nandasiri, Manjula I.; Camacho-Forero, Luis E.; Schwarz, Ashleigh M.

Parasitic reactions of electrolyte and polysulfide with the Li-anode in lithium sulfur (Li-S) batteries lead to the formation of solid-electrolyte interphase (SEI) layers, which are the major reason behind severe capacity fading in these systems. Despite numerous studies, the evolution mechanism of the SEI layer and specific roles of polysulfides and other electrolyte components are still unclear. Here, we report an in-situ X-ray photoelectron spectroscopy (XPS) and chemical imaging analysis combined with ab initio molecular dynamics (AIMD) computational modeling to gain fundamental understanding regarding the evolution of SEI layers on Li-anodes within Li-S batteries. A multi-modal approach involving AIMD modelingmore » and in-situ XPS characterization uniquely reveals the chemical identity and distribution of active participants in parasitic reactions as well as the SEI layer evolution mechanism. The SEI layer evolution has three major stages: the formation of a primary composite mixture phase involving stable lithium compounds (Li 2S, LiF, Li 2O etc); and formation of a secondary matrix type phase due to cross interaction between reaction products and electrolyte components, which is followed by a highly dynamic mono-anionic polysulfide (i.e. LiS 5) fouling process. In conclusion, these new molecular-level insights into the SEI layer evolution on Li- anodes are crucial for delineating effective strategies for the development of Li–S batteries.« less

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries

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

Nandasiri, Manjula I.; Camacho-Forero, Luis E.; Schwarz, Ashleigh M.

Parasitic reactions of electrolyte and polysulfide with the Li-anode in lithium sulfur (Li-S) batteries lead to the for-mation of solid electrolyte interphase (SEI) layers, which are the major reason behind severe capacity fading in these systems. Despite numerous studies, the evolution mechanism of the SEI layer and specific roles of polysulfides and oth-er electrolyte components are still unclear. We report an in-situ X-ray photoelectron spectroscopy (XPS) and chemical imaging analysis combined with ab initio molecular dynamics (AIMD) computational modeling to gain fundamental understanding regarding the evolution of SEI layers on Li-anodes within Li-S batteries. A multi-modal approach in-volving AIMD modelingmore » and in-situ XPS characterization uniquely reveals the chemical identity and distribution of active participants in parasitic reactions as well as the SEI layer evolution mechanism. The SEI layer evolution has three major stages: the formation of a primary composite mixture phase involving stable lithium compounds (Li2S, LiF, Li2O etc); and formation of a secondary matrix type phase due to cross interaction between reaction products and elec-trolyte components, which is followed by a highly dynamic mono-anionic polysulfide (i.e. LiS5) fouling process. These new molecular-level insights into the SEI layer evolution on Li- anodes are crucial for delineating effective strategies for the development of Li–S batteries.« less

In Situ Chemical Imaging of Solid-Electrolyte Interphase Layer Evolution in Li–S Batteries

DOE PAGES

Nandasiri, Manjula I.; Camacho-Forero, Luis E.; Schwarz, Ashleigh M.; ...

2017-05-03

Parasitic reactions of electrolyte and polysulfide with the Li-anode in lithium sulfur (Li-S) batteries lead to the formation of solid-electrolyte interphase (SEI) layers, which are the major reason behind severe capacity fading in these systems. Despite numerous studies, the evolution mechanism of the SEI layer and specific roles of polysulfides and other electrolyte components are still unclear. Here, we report an in-situ X-ray photoelectron spectroscopy (XPS) and chemical imaging analysis combined with ab initio molecular dynamics (AIMD) computational modeling to gain fundamental understanding regarding the evolution of SEI layers on Li-anodes within Li-S batteries. A multi-modal approach involving AIMD modelingmore » and in-situ XPS characterization uniquely reveals the chemical identity and distribution of active participants in parasitic reactions as well as the SEI layer evolution mechanism. The SEI layer evolution has three major stages: the formation of a primary composite mixture phase involving stable lithium compounds (Li 2S, LiF, Li 2O etc); and formation of a secondary matrix type phase due to cross interaction between reaction products and electrolyte components, which is followed by a highly dynamic mono-anionic polysulfide (i.e. LiS 5) fouling process. In conclusion, these new molecular-level insights into the SEI layer evolution on Li- anodes are crucial for delineating effective strategies for the development of Li–S batteries.« less

Crack-Free, Soft Wrinkles Enable Switchable Anisotropic Wetting.

PubMed

Rhee, Dongjoon; Lee, Won-Kyu; Odom, Teri W

2017-06-01

Soft skin layers on elastomeric substrates are demonstrated to support mechano-responsive wrinkle patterns that do not exhibit cracking under applied strain. Soft fluoropolymer skin layers on pre-strained poly(dimethylsiloxane) slabs achieved crack-free surface wrinkling at high strain regimes not possible by using conventional stiff skin layers. A side-by-side comparison between the soft and hard skin layers after multiple cycles of stretching and releasing revealed that the soft skin layer enabled dynamic control over wrinkle topography without cracks or delamination. We systematically characterized the evolution of wrinkle wavelength, amplitude, and orientation as a function of tensile strain to resolve the crack-free structural transformation. We demonstrated that wrinkled surfaces can guide water spreading along wrinkle orientation, and hence switchable, anisotropic wetting was realized. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Large scale motions of multiple limit-cycle high Reynolds number annular and toroidal rotor/stator cavities

NASA Astrophysics Data System (ADS)

Bridel-Bertomeu, Thibault; Gicquel, L. Y. M.; Staffelbach, G.

2017-06-01

Rotating cavity flows are essential components of industrial applications but their dynamics are still not fully understood when it comes to the relation between the fluid organization and monitored pressure fluctuations. From computer hard-drives to turbo-pumps of space launchers, designed devices often produce flow oscillations that can either destroy the component prematurely or produce too much noise. In such a context, large scale dynamics of high Reynolds number rotor/stator cavities need better understanding especially at the flow limit-cycle or associated statistically stationary state. In particular, the influence of curvature as well as cavity aspect ratio on the large scale organization and flow stability at a fixed rotating disc Reynolds number is fundamental. To probe such flows, wall-resolved large eddy simulation is applied to two different rotor/stator cylindrical cavities and one annular cavity. Validation of the predictions proves the method to be suited and to capture the disc boundary layer patterns reported in the literature. It is then shown that in complement to these disc boundary layer analyses, at the limit-cycle the rotating flows exhibit characteristic patterns at mid-height in the homogeneous core pointing the importance of large scale features. Indeed, dynamic modal decomposition reveals that the entire flow dynamics are driven by only a handful of atomic modes whose combination links the oscillatory patterns observed in the boundary layers as well as in the core of the cavity. These fluctuations form macro-structures, born in the unstable stator boundary layer and extending through the homogeneous inviscid core to the rotating disc boundary layer, causing its instability under some conditions. More importantly, the macro-structures significantly differ depending on the configuration pointing the need for deeper understanding of the influence of geometrical parameters as well as operating conditions.

Many-body effects in valleytronics: direct measurement of valley lifetimes in single-layer MoS2.

PubMed

Mai, Cong; Barrette, Andrew; Yu, Yifei; Semenov, Yuriy G; Kim, Ki Wook; Cao, Linyou; Gundogdu, Kenan

2014-01-08

Single layer MoS2 is an ideal material for the emerging field of "valleytronics" in which charge carrier momentum can be finely controlled by optical excitation. This system is also known to exhibit strong many-body interactions as observed by tightly bound excitons and trions. Here we report direct measurements of valley relaxation dynamics in single layer MoS2, by using ultrafast transient absorption spectroscopy. Our results show that strong Coulomb interactions significantly impact valley population dynamics. Initial excitation by circularly polarized light creates electron-hole pairs within the K-valley. These excitons coherently couple to dark intervalley excitonic states, which facilitate fast electron valley depolarization. Hole valley relaxation is delayed up to about 10 ps due to nondegeneracy of the valence band spin states. Intervalley biexciton formation reveals the hole valley relaxation dynamics. We observe that biexcitons form with more than an order of magnitude larger binding energy compared to conventional semiconductors. These measurements provide significant insight into valley specific processes in 2D semiconductors. Hence they could be used to suggest routes to design semiconducting materials that enable control of valley polarization.

Revealing spatially heterogeneous relaxation in a model nanocomposite.

PubMed

Cheng, Shiwang; Mirigian, Stephen; Carrillo, Jan-Michael Y; Bocharova, Vera; Sumpter, Bobby G; Schweizer, Kenneth S; Sokolov, Alexei P

2015-11-21

The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility gradient shows no "glassy" layer, but the α-relaxation time near the nanoparticle grows with cooling faster than the α-relaxation time in the bulk and is ∼20 times longer at low temperatures. The interfacial layer thickness increases from ∼1.8 nm at higher temperatures to ∼3.5 nm upon cooling to near bulk Tg. A real space microscopic description of the mobility gradient is constructed by synergistically combining high temperature atomistic simulation with theory. Our analysis suggests that the interfacial slowing down arises mainly due to an increase of the local cage scale barrier for activated hopping induced by enhanced packing and densification near the nanoparticle surface. The theory is employed to predict how local surface densification can be manipulated to control layer dynamics and shear rigidity over a wide temperature range.

Revealing spatially heterogeneous relaxation in a model nanocomposite

DOE PAGES

Cheng, Shiwang; Mirigian, Stephen; Carrillo, Jan-Michael Y.; ...

2015-11-18

The detailed nature of spatially heterogeneous dynamics of glycerol-silica nanocomposites is unraveled by combining dielectric spectroscopy with atomistic simulation and statistical mechanical theory. Analysis of the spatial mobility gradient shows no glassy layer, but the -relaxation time near the nanoparticle grows with cooling faster than the -relaxation time in the bulk and is ~20 times longer at low temperatures. The interfacial layer thickness increases from ~1.8 nm at higher temperatures to ~3.5 nm upon cooling to near bulk T g. A real space microscopic description of the mobility gradient is constructed by synergistically combining high temperature atomistic simulation with theory.more » Our analysis suggests that the interfacial slowing down arises mainly due to an increase of the local cage scale barrier for activated hopping induced by enhanced packing and densification near the nanoparticle surface. As a result, the theory is employed to predict how local surface densification can be manipulated to control layer dynamics and shear rigidity over a wide temperature range.« less

Atomistic modeling of crystal-to-amorphous transition and associated kinetics in the Ni-Nb system by molecular dynamics simulations.

PubMed

Dai, X D; Li, J H; Liu, B X

2005-03-17

With the aid of ab initio calculations, an n-body potential of the Ni-Nb system is constructed under the Finnis-Sinclair formalism and the constructed potential is capable of not only reproducing some static physical properties but also revealing the atomistic mechanism of crystal-to-amorphous transition and associated kinetics. With application of the constructed potential, molecular dynamics simulations using the solid solution models reveal that the physical origin of crystal-to-amorphous transition is the crystalline lattice collapsing while the solute atoms are exceeding the critical solid solubilities, which are determined to be 19 atom % Ni and 13 atom % Nb for the Nb- and Ni-based solid solutions, respectively. It follows that an intrinsic glass-forming ability of the Ni-Nb system is within 19-87 atom % Ni, which matches well with that observed in ion beam mixing/solid-state reaction experiments. Simulations using the Nb/Ni/Nb (Ni/Nb/Ni) sandwich models indicate that the amorphous layer at the interfaces grows in a layer-by-layer mode and that, upon dissolving solute atoms, the Ni lattice approaches and exceeds its critical solid solubility faster than the Nb lattice, revealing an asymmetric behavior in growth kinetics. Moreover, an energy diagram is obtained by computing the energetic sequence of the Ni(x)Nb(100)(-)(x) alloy in fcc, bcc, and amorphous structures, respectively, over the entire composition range, and the diagram could serve as a guide for predicting the metastable alloy formation in the Ni-Nb system.

Water types and their relaxation behavior in partially rehydrated CaFe-mixed binary oxide obtained from CaFe-layered double hydroxide in the 155-298 K temperature range.

PubMed

Bugris, Valéria; Haspel, Henrik; Kukovecz, Ákos; Kónya, Zoltán; Sipiczki, Mónika; Sipos, Pál; Pálinkó, István

2013-10-29

Heat-treated CaFe-layered double hydroxide samples were equilibrated under conditions of various relative humidities (11%, 43% and 75%). Measurements by FT-IR and dielectric relaxation spectroscopies revealed that partial to full reconstruction of the layered structure took place. Water types taking part in the reconstruction process were identified via dielectric relaxation measurements either at 298 K or on the flash-cooled (to 155 K) samples. The dynamics of water molecules at the various positions was also studied by this method, allowing the flash-cooled samples to warm up to 298 K.

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

NASA Astrophysics Data System (ADS)

Shevyrnogov, Anatoly; Vysotskaya, Galina

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

Ultrafast carrier thermalization and cooling dynamics in few-layer MoS2.

PubMed

Nie, Zhaogang; Long, Run; Sun, Linfeng; Huang, Chung-Che; Zhang, Jun; Xiong, Qihua; Hewak, Daniel W; Shen, Zexiang; Prezhdo, Oleg V; Loh, Zhi-Heng

2014-10-28

Femtosecond optical pump-probe spectroscopy with 10 fs visible pulses is employed to elucidate the ultrafast carrier dynamics of few-layer MoS2. A nonthermal carrier distribution is observed immediately following the photoexcitation of the A and B excitonic transitions by the ultrashort, broadband laser pulse. Carrier thermalization occurs within 20 fs and proceeds via both carrier-carrier and carrier-phonon scattering, as evidenced by the observed dependence of the thermalization time on the carrier density and the sample temperature. The n(-0.37 ± 0.03) scaling of the thermalization time with carrier density suggests that equilibration of the nonthermal carrier distribution occurs via non-Markovian quantum kinetics. Subsequent cooling of the hot Fermi-Dirac carrier distribution occurs on the ∼ 0.6 ps time scale via carrier-phonon scattering. Temperature- and fluence-dependence studies reveal the involvement of hot phonons in the carrier cooling process. Nonadiabatic ab initio molecular dynamics simulations, which predict carrier-carrier and carrier-phonon scattering time scales of 40 fs and 0.5 ps, respectively, lend support to the assignment of the observed carrier dynamics.

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

PubMed

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

2011-08-25

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

The Assembling of Poly (3-Octyl-Thiophene) on CVD Grown Single Layer Graphene

NASA Astrophysics Data System (ADS)

Jiang, Yanqiu; Yang, Ling; Guo, Zongxia; Lei, Shengbin

2015-12-01

The interface between organic semiconductor and graphene electrode, especially the structure of the first few molecular layers at the interface, is crucial for the device properties such as the charge transport in organic field effect transistors. In this work, we have used scanning tunneling microscopy to investigate the poly (3-octyl-thiophene) (P3OT)-graphene interface. Our results reveal the dynamic assembling of P3OT on single layer graphene. As on other substrates the epitaxial effect plays a role in determining the orientation of the P3OT assembling, however, the inter-thiophene distance along the backbone is consistent with that optimized in vaccum, no compression was observed. Adsorption of P3OT on ripples is weaker due to local curvature, which has been verified both by scanning tunneling microscopy and density functional theory simulation. Scanning tunneling microscopy also reveals that P3OT tends to form hairpin folds when meets a ripple.

Unexpected molecular weight effect in polymer nanocomposites

DOE PAGES

Cheng, Shiwang; Holt, Adam P.; Wang, Huiqun; ...

2016-01-22

Here, the properties of the interfacial layer between the polymer matrix and nanoparticles largely determine the macroscopic properties of polymer nanocomposites (PNCs). Although the static thickness of the interfacial layer was found to increase with the molecular weight (MW), the influence of MW on segmental relaxation and the glass transition in this layer remains to be explored. In this Letter, we show an unexpected MW dependence of the interfacial properties in PNC with attractive polymer-nanoparticle interactions: the thickness of the interfacial layer with hindered segmental relaxation decreases as MW increases, in sharp constrast to theoretical predictions. Further analyses reveal amore » reduction in mass density of the interfacial layer with increasing MW, which can explain these unexpected dynamic effects. Our observations call for a significant revision of the current understandings of PNCs and suggest interesting ways to tailor their properties.« less

Brought-Along Identities and the Dynamics of Ideology: Accomplishing Bivalent Stances in a Multilingual Interaction

ERIC Educational Resources Information Center

Williams, Ashley M.

2008-01-01

This paper examines how the interconnected aspects of the stance triangle (Du Bois 2007) allow speakers to tap into multiple ideological layers as they take a stance and reveal intra-ethnic group tensions. Using a detailed interaction analysis of a Chinese American family's multilingual interaction, the paper explores how such ideological dynamics…

Inner-outer interactions in the convective atmospheric boundary layer

NASA Astrophysics Data System (ADS)

Salesky, S.

2017-12-01

Recently, observational and numerical studies have revealed the existence of so-called large scale motions (LSMs) that populate the logarithmic layer of wall-bounded turbulent shear flows and modulate the amplitude and frequency of turbulence dynamics near the ground. Properties of LSMs are well understood in neutrally stratified flows over smooth and rough walls. However, the implications of previous studies for the convective atmospheric boundary layer (CBL) are not entirely clear, since the morphology of both small-scale and large-scale turbulent structures is known to be strongly affected by buoyancy [e.g. Salesky et al., Bound.-Layer Meteorol. 163:41-68 (2017)]. In the present study, inner-outer interactions in the CBL are investigated using a suite of large eddy simulations spanning neutral to highly convective conditions. Simulation results reveal that, as the atmosphere becomes increasingly unstable, the inclination angle of structures near the ground increases from 12-15° to nearly 90°. Furthermore, the scale separation between the inner and outer peaks in the premultiplied velocity spectra decreases until only a single peak remains (comparable in magnitude to the boundary layer depth). The extent to which the amplitude modulation of surface layer turbulence by outer layer structures changes with increasing instability will be considered, following the decoupling procedure proposed by Mathis et al. [J. Fluid Mech., vol 628, 311-337 (2009)]. Frequency modulation of surface layer turbulence also will be examined, following the wavelet analysis approach of Baars et al. [Exp. Fluids, 56:188, (2015)].

Large scale atomistic simulation of single-layer graphene growth on Ni(111) surface: molecular dynamics simulation based on a new generation of carbon-metal potential

NASA Astrophysics Data System (ADS)

Xu, Ziwei; Yan, Tianying; Liu, Guiwu; Qiao, Guanjun; Ding, Feng

2015-12-01

To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results.To explore the mechanism of graphene chemical vapor deposition (CVD) growth on a catalyst surface, a molecular dynamics (MD) simulation of carbon atom self-assembly on a Ni(111) surface based on a well-designed empirical reactive bond order potential was performed. We simulated single layer graphene with recorded size (up to 300 atoms per super-cell) and reasonably good quality by MD trajectories up to 15 ns. Detailed processes of graphene CVD growth, such as carbon atom dissolution and precipitation, formation of carbon chains of various lengths, polygons and small graphene domains were observed during the initial process of the MD simulation. The atomistic processes of typical defect healing, such as the transformation from a pentagon into a hexagon and from a pentagon-heptagon pair (5|7) to two adjacent hexagons (6|6), were revealed as well. The study also showed that higher temperature and longer annealing time are essential to form high quality graphene layers, which is in agreement with experimental reports and previous theoretical results. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06016h

Dynamics of a microbial community associated with manure hot spots as revealed by phospholipid fatty acid analyses.

PubMed Central

Frostegård, A; Petersen, S O; Bååth, E; Nielsen, T H

1997-01-01

Microbial community dynamics associated with manure hot spots were studied by using a model system consisting of a gel-stabilized mixture of soil and manure, placed between layers of soil, during a 3-week incubation period. The microbial biomass, measured as the total amount of phospholipid fatty acids (PLFA), had doubled within a 2-mm distance from the soil-manure interface after 3 days. Principal-component analyses demonstrated that this increase was accompanied by reproducible changes in the composition of PLFA, indicating changes in the microbial community structure. The effect of the manure was strongest in the 2-mm-thick soil layer closest to the interface, in which the PLFA composition was statistically significantly different (P < 0.05) from that of the unaffected soil layers throughout the incubation period. An effect was also observed in the soil layer 2 to 4 mm from the interface. The changes in microbial biomass and community structure were mainly attributed to the diffusion of dissolved organic carbon from the manure. During the initial period of microbial growth, PLFA, which were already more abundant in the manure than in the soil, increased in the manure core and in the 2-mm soil layer closest to the interface. After day 3, the PLFA composition of these layers gradually became more similar to that of the soil. The dynamics of individual PLFA suggested that both taxonomic and physiological changes occurred during growth. Examples of the latter were decreases in the ratios of 16:1 omega 7t to 16:1 omega 7c and of cyclopropyl fatty acids to their respective precursors, indicating a more active bacterial community. An inverse relationship between bacterial PLFA and the eucaryotic 20:4 PLFA (arachidonic acid) suggested that grazing was important. PMID:9172342

Application of underdamped Langevin dynamics simulations for the study of diffusion from a drug-eluting stent

NASA Astrophysics Data System (ADS)

Regev, Shaked; Farago, Oded

2018-10-01

We use a one-dimensional two layer model with a semi-permeable membrane to study the diffusion of a therapeutic drug delivered from a drug-eluting stent (DES). The rate of drug transfer from the stent coating to the arterial wall is calculated by using underdamped Langevin dynamics simulations. Our results reveal that the membrane has virtually no delay effect on the rate of delivery from the DES. The work demonstrates the great potential of underdamped Langevin dynamics simulations as an easy to implement, efficient, method for solving complicated diffusion problems in systems with a spatially-dependent diffusion coefficient.

Linearised dynamics and non-modal instability analysis of an impinging under-expanded supersonic jet

NASA Astrophysics Data System (ADS)

Karami, Shahram; Stegeman, Paul C.; Theofilis, Vassilis; Schmid, Peter J.; Soria, Julio

2018-04-01

Non-modal instability analysis of the shear layer near the nozzle of a supersonic under-expanded impinging jet is studied. The shear layer instability is considered to be one of the main components of the feedback loop in supersonic jets. The feedback loop is observed in instantaneous visualisations of the density field where it is noted that acoustic waves scattered by the nozzle lip internalise as shear layer instabilities. A modal analysis describes the asymptotic limit of the instability disturbances and fails to capture short-time responses. Therefore, a non-modal analysis which allows the quantitative description of the short-time amplification or decay of a disturbance is performed by means of a local far-field pressure pulse. An impulse response analysis is performed which allows a wide range of frequencies to be excited. The temporal and spatial growths of the disturbances in the shear layer near the nozzle are studied by decomposing the response using dynamic mode decomposition and Hilbert transform analysis. The short-time response shows that disturbances with non-dimensionalised temporal frequencies in the range of 1 to 4 have positive growth rates in the shear layer. The Hilbert transform analysis shows that high non-dimensionalised temporal frequencies (>4) are dampened immediately, whereas low non-dimensionalised temporal frequencies (<1) are neutral. Both dynamic mode decomposition and Hilbert transform analysis show that spatial frequencies between 1 and 3 have positive spatial growth rates. Finally, the envelope of the streamwise velocity disturbances reveals the presence of a convective instability.

Making molecular balloons in laser-induced explosive boiling of polymer solutions.

PubMed

Leveugle, Elodie; Sellinger, Aaron; Fitz-Gerald, James M; Zhigilei, Leonid V

2007-05-25

The effect of the dynamic molecular rearrangements leading to compositional segregation is revealed in coarse-grained molecular dynamics simulations of short pulse laser interaction with a polymer solution in a volatile matrix. An internal release of matrix vapor at the onset of the explosive boiling of the overheated liquid is capable of pushing polymer molecules to the outskirts of a transient bubble, forming a polymer-rich surface layer enclosing the volatile matrix material. The results explain unexpected "deflated balloon" structures observed in films deposited by the matrix-assisted pulsed laser evaporation technique.

Direct Imaging of Individual Intrinsic Hydration Layers on Lipid Bilayers at Ångstrom Resolution

PubMed Central

Fukuma, Takeshi; Higgins, Michael J.; Jarvis, Suzanne P.

2007-01-01

The interactions between water and biological molecules have the potential to influence the structure, dynamics, and function of biological systems, hence the importance of revealing the nature of these interactions in relation to the local biochemical environment. We have investigated the structuring of water at the interface of supported dipalmitoylphosphatidylcholine bilayers in the gel phase in phosphate buffer solution using frequency modulation atomic force microscopy (FM-AFM). We present experimental results supporting the existence of intrinsic (i.e., surface-induced) hydration layers adjacent to the bilayer. The force versus distance curves measured between the bilayer and the AFM tip show oscillatory force profiles with a peak spacing of 0.28 nm, indicative of the existence of up to two hydration layers next to the membrane surface. These oscillatory force profiles reveal the molecular-scale origin of the hydration force that has been observed between two apposing lipid bilayers. Furthermore, FM-AFM imaging at the water/lipid interface visualizes individual hydration layers in three dimensions, with molecular-scale corrugations corresponding to the lipid headgroups. The results demonstrate that the intrinsic hydration layers are stable enough to present multiple energy barriers to approaching nanoscale objects, such as proteins and solvated ions, and are expected to affect membrane permeability and transport. PMID:17325013

Mapping hydration dynamics around a protein surface

PubMed Central

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

2007-01-01

Protein surface hydration is fundamental to its structure and activity. We report here the direct mapping of global hydration dynamics around a protein in its native and molten globular states, using a tryptophan scan by site-specific mutations. With 16 tryptophan mutants and in 29 different positions and states, we observed two robust, distinct water dynamics in the hydration layer on a few (≈1–8 ps) and tens to hundreds of picoseconds (≈20–200 ps), representing the initial local relaxation and subsequent collective network restructuring, respectively. Both time scales are strongly correlated with protein's structural and chemical properties. These results reveal the intimate relationship between hydration dynamics and protein fluctuations and such biologically relevant water–protein interactions fluctuate on picosecond time scales. PMID:18003912

Black carbon solar absorption suppresses turbulence in the atmospheric boundary layer.

PubMed

Wilcox, Eric M; Thomas, Rick M; Praveen, Puppala S; Pistone, Kristina; Bender, Frida A-M; Ramanathan, Veerabhadran

2016-10-18

The introduction of cloud condensation nuclei and radiative heating by sunlight-absorbing aerosols can modify the thickness and coverage of low clouds, yielding significant radiative forcing of climate. The magnitude and sign of changes in cloud coverage and depth in response to changing aerosols are impacted by turbulent dynamics of the cloudy atmosphere, but integrated measurements of aerosol solar absorption and turbulent fluxes have not been reported thus far. Here we report such integrated measurements made from unmanned aerial vehicles (UAVs) during the CARDEX (Cloud Aerosol Radiative Forcing and Dynamics Experiment) investigation conducted over the northern Indian Ocean. The UAV and surface data reveal a reduction in turbulent kinetic energy in the surface mixed layer at the base of the atmosphere concurrent with an increase in absorbing black carbon aerosols. Polluted conditions coincide with a warmer and shallower surface mixed layer because of aerosol radiative heating and reduced turbulence. The polluted surface mixed layer was also observed to be more humid with higher relative humidity. Greater humidity enhances cloud development, as evidenced by polluted clouds that penetrate higher above the top of the surface mixed layer. Reduced entrainment of dry air into the surface layer from above the inversion capping the surface mixed layer, due to weaker turbulence, may contribute to higher relative humidity in the surface layer during polluted conditions. Measurements of turbulence are important for studies of aerosol effects on clouds. Moreover, reduced turbulence can exacerbate both the human health impacts of high concentrations of fine particles and conditions favorable for low-visibility fog events.

Black carbon solar absorption suppresses turbulence in the atmospheric boundary layer

PubMed Central

Wilcox, Eric M.; Thomas, Rick M.; Praveen, Puppala S.; Pistone, Kristina; Bender, Frida A.-M.; Ramanathan, Veerabhadran

2016-01-01

The introduction of cloud condensation nuclei and radiative heating by sunlight-absorbing aerosols can modify the thickness and coverage of low clouds, yielding significant radiative forcing of climate. The magnitude and sign of changes in cloud coverage and depth in response to changing aerosols are impacted by turbulent dynamics of the cloudy atmosphere, but integrated measurements of aerosol solar absorption and turbulent fluxes have not been reported thus far. Here we report such integrated measurements made from unmanned aerial vehicles (UAVs) during the CARDEX (Cloud Aerosol Radiative Forcing and Dynamics Experiment) investigation conducted over the northern Indian Ocean. The UAV and surface data reveal a reduction in turbulent kinetic energy in the surface mixed layer at the base of the atmosphere concurrent with an increase in absorbing black carbon aerosols. Polluted conditions coincide with a warmer and shallower surface mixed layer because of aerosol radiative heating and reduced turbulence. The polluted surface mixed layer was also observed to be more humid with higher relative humidity. Greater humidity enhances cloud development, as evidenced by polluted clouds that penetrate higher above the top of the surface mixed layer. Reduced entrainment of dry air into the surface layer from above the inversion capping the surface mixed layer, due to weaker turbulence, may contribute to higher relative humidity in the surface layer during polluted conditions. Measurements of turbulence are important for studies of aerosol effects on clouds. Moreover, reduced turbulence can exacerbate both the human health impacts of high concentrations of fine particles and conditions favorable for low-visibility fog events. PMID:27702889

Research on dynamic creep strain and settlement prediction under the subway vibration loading.

PubMed

Luo, Junhui; Miao, Linchang

2016-01-01

This research aims to explore the dynamic characteristics and settlement prediction of soft soil. Accordingly, the dynamic shear modulus formula considering the vibration frequency was utilized and the dynamic triaxial test conducted to verify the validity of the formula. Subsequently, the formula was applied to the dynamic creep strain function, with the factors influencing the improved dynamic creep strain curve of soft soil being analyzed. Meanwhile, the variation law of dynamic stress with sampling depth was obtained through the finite element simulation of subway foundation. Furthermore, the improved dynamic creep strain curve of soil layer was determined based on the dynamic stress. Thereafter, it could to estimate the long-term settlement under subway vibration loading by norms. The results revealed that the dynamic shear modulus formula is straightforward and practical in terms of its application to the vibration frequency. The values predicted using the improved dynamic creep strain formula closed to the experimental values, whilst the estimating settlement closed to the measured values obtained in the field test.

Finding overlapping communities in multilayer networks

PubMed Central

Liu, Weiyi; Suzumura, Toyotaro; Ji, Hongyu; Hu, Guangmin

2018-01-01

Finding communities in multilayer networks is a vital step in understanding the structure and dynamics of these layers, where each layer represents a particular type of relationship between nodes in the natural world. However, most community discovery methods for multilayer networks may ignore the interplay between layers or the unique topological structure in a layer. Moreover, most of them can only detect non-overlapping communities. In this paper, we propose a new community discovery method for multilayer networks, which leverages the interplay between layers and the unique topology in a layer to reveal overlapping communities. Through a comprehensive analysis of edge behaviors within and across layers, we first calculate the similarities for edges from the same layer and the cross layers. Then, by leveraging these similarities, we can construct a dendrogram for the multilayer networks that takes both the unique topological structure and the important interplay into consideration. Finally, by introducing a new community density metric for multilayer networks, we can cut the dendrogram to get the overlapping communities for these layers. By applying our method on both synthetic and real-world datasets, we demonstrate that our method has an accurate performance in discovering overlapping communities in multilayer networks. PMID:29694387

Finding overlapping communities in multilayer networks.

PubMed

Liu, Weiyi; Suzumura, Toyotaro; Ji, Hongyu; Hu, Guangmin

2018-01-01

Finding communities in multilayer networks is a vital step in understanding the structure and dynamics of these layers, where each layer represents a particular type of relationship between nodes in the natural world. However, most community discovery methods for multilayer networks may ignore the interplay between layers or the unique topological structure in a layer. Moreover, most of them can only detect non-overlapping communities. In this paper, we propose a new community discovery method for multilayer networks, which leverages the interplay between layers and the unique topology in a layer to reveal overlapping communities. Through a comprehensive analysis of edge behaviors within and across layers, we first calculate the similarities for edges from the same layer and the cross layers. Then, by leveraging these similarities, we can construct a dendrogram for the multilayer networks that takes both the unique topological structure and the important interplay into consideration. Finally, by introducing a new community density metric for multilayer networks, we can cut the dendrogram to get the overlapping communities for these layers. By applying our method on both synthetic and real-world datasets, we demonstrate that our method has an accurate performance in discovering overlapping communities in multilayer networks.

Influences of roughness on the inertial mechanism of turbulent boundary-layer scale separation

NASA Astrophysics Data System (ADS)

Ebner, Rachel

Measurements and scaling analyses are conducted to clarify the combined effects of roughness and Reynolds number on momentum transport in the rough-wall zero pressure gradient turbulent boundary layer. A series of multi-sensor hot-wire experiments are presented that cover nearly a decade in Reynolds number and nearly three decades in the inner-normalized sand grain roughness. This dissertation utilizes the difference between two velocity-vorticity correlations to represent the turbulent inertia term in the statement of the mean dynamics for turbulent boundary layer flow. Analyses focus on the first term on the right hand side of the equation, because it is physically affiliated with change-of-scale effects (Tennekes and Lumley, 1972). Similarity analysis, streamwise correlations, and spectral methods are performed to elucidate the scaling behaviors of the turbulent inertia term relative to the mean dynamics. The present results reveal complex behaviors in the long-time statistics of the velocity-vorticity correlation that exhibit both Reynolds number and roughness dependencies. The results broadly support the combined roughness-Reynolds number description provided by Mehdi et al, (2013).

Enhancement of carrier lifetimes in type-II quantum dot/quantum well hybrid structures

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

Couto, O. D. D., E-mail: odilon@ifi.unicamp.br; Almeida, P. T. de; Santos, G. E. dos

We investigate optical transitions and carrier dynamics in hybrid structures containing type-I GaAs/AlGaAs quantum wells (QWs) and type-II GaSb/AlGaAs quantum dots (QDs). We show that the optical recombination of photocreated electrons confined in the QWs with holes in the QDs and wetting layer can be modified according to the QW/QD spatial separation. In particular, for low spacer thicknesses, the QW optical emission can be suppressed due to the transference of holes from the QW to the GaSb layer, favoring the optical recombination of spatially separated carriers, which can be useful for optical memory and solar cell applications. Time-resolved photoluminescence (PL)more » measurements reveal non-exponential recombination dynamics. We demonstrate that the PL transients can only be quantitatively described by considering both linear and quadratic terms of the carrier density in the bimolecular recombination approximation for type-II semiconductor nanostructures. We extract long exciton lifetimes from 700 ns to 5 μs for QDs depending on the spacer layer thickness.« less

Source of Global Scale Variations in the Midday Vertical Content of Ionospheric Metal Ions

NASA Technical Reports Server (NTRS)

Joiner, J.; Grebowsky, J. M.; Pesnell, W. D.; Aikin, A. C.; Goldberg, Richard A.

1999-01-01

An analysis of long baseline NIMBUS 7 SBUV (Solar Backscatter UV Spectrometer) observations of the latitudinal variation of the noontime vertical Mg' content above approx. 70 km have revealed seasonal, solar activity and magnetic activity dependencies in the Mg+ content. The distributions were categorized in terms of magnetic coordinates partially because transport processes lifting metallic ions from the main meteor ionization layer below 100 km up into the F- region and down again are controlled by electrodynamical processes. Alternatively, the Nimbus Mg+ distributions may simply be a result of ion/neutral chemistry changes resulting from atmospheric changes and not dynamics. In such a case magnetic control would not dominate the distributions. Using in situ satellite measurements of metal ions from the Atmosphere Explorer satellites in the region above the main meteor layer and published sounding rocket measurements of the main metallic ion layers, the effects of the dynamics on the vertical content are delineated. The consequences of atmospheric changes on the vertical content are explored by separating the Nimbus measurements in a geodetic frame of reference.

Asymmetry of radiation damage properties in Al-Ti nanolayers

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

Setyawan, Wahyu; Gerboth, Matthew D.; Yao, Bo

2014-02-01

Molecular dynamics (MD) simulations were employed with empirical potentials to study the effects of multilayer interfaces and interface spacing in Al-Ti nanolayers. Several model interfaces derived from stacking of close-packed layers or face-centered cubic \\{100\\} layers were investigated. The simulations reveal significant and important asymmetries in defect production withmore » $$\\sim$$60\\% of vacancies created in Al layers compared to Ti layers within the Al-Ti multilayer system. The asymmetry in the creation of interstitials is even more pronounced. The asymmetries cause an imbalance in the ratio of vacancies and interstitials in films of dissimilar materials leading to $>$$90\\% of the surviving interstitials located in the Al layers. While in the close-packed nanolayers the interstitials migrate to the atomic layers adjacent to the interface of the Al layers, in the \\{100\\} nanolayers the interstitials migrate to the center of the Al layers and away from the interfaces. The degree of asymmetry and defect ratio imbalance increases as the layer spacing decreases in the multilayer films. Underlying physical processes are discussed including the interfacial strain fields and the individual elemental layer stopping power in nanolayered systems. In addition, experimental work was performed on low-dose (10$$^{16}$ atoms/cm$^2$) helium (He) irradiation on Al/Ti nanolayers (5 nm per film), resulting in He bubble formation $$\\sim$$1 nm in diameter in the Ti film near the interface. The correlation between the preferential flux of displaced atoms from Ti films to Al films during the defect production that is revealed in the simulations and the morphology and location of He bubbles from the experiments is discussed.« less

Convection Models for Ice-Water System: Dynamical Investigation of Phase Transition

NASA Astrophysics Data System (ADS)

Allu Peddinti, D.; McNamara, A. K.

2012-12-01

Ever since planetary missions of Voyager and Galileo revealed a dynamically altered surface of the icy moon Europa, a possible subsurface ocean under an icy shell has been speculated and surface features have been interpreted from an interior dynamics perspective. The physics of convection in a two phase water-ice system is governed by a wide set of physical parameters that include melting viscosity of ice, the variation of viscosity due to pressure and temperature, temperature contrast across and tidal heating within the system, and the evolving thickness of each layer. Due to the extreme viscosity contrast between liquid water and solid ice, it is not feasible to model the entire system to study convection. However, using a low-viscosity proxy (higher viscosity than the liquid water but much lower than solid ice) for the liquid phase provides a convenient approximation of the system, and allows for a relatively realistic representation of convection within the ice layer while also providing a self-consistent ice layer thickness that is a function of the thermal state of the system. In order to apply this method appropriately, we carefully examine the upper bound of viscosity required for the low-viscosity proxy to adequately represent the liquid phase. We identify upper bounds on the viscosity of the proxy liquid such that convective dynamics of the ice are not affected by further reductions of viscosity. Furthermore, we investigate how the temperature contrast across the system and viscosity contrast between liquid and ice control ice layer thickness. We also investigate ice shell thickening as a function of cooling, particularly how viscosity affects the conduction-to-convection transition within the ice shell. Finally, we present initial results that investigate the effects that latent heat of fusion (due to the ice-water phase transition) has on ice convection.

Spontaneous Emergence of Order in Vibrated Sand*

NASA Astrophysics Data System (ADS)

Swinney, Harry L.

2004-05-01

Granular media such as sand, pharmaceuticals, cereal, cosmetics, and asteroids are involved in many processes, yet granular media remain less well understood than fluids and solids. Vertically oscillating granular layers provide a test bed for theory and modeling of granular dynamics. Experiments on vertically oscillating granular layers have revealed a variety of spatial patterns that emerge spontaneously as a function of the container acceleration amplitude and frequency: stripes, squares, hexagons, spirals, and oscillons (localized structures). Molecular dynamics simulations yield results in quantitative accord with laboratory observations. Since the gradients of density and velocity are large over a particle mean free path, the applicability of continuum theory has been questionable. However, hydrodynamic equations proposed for dissipative particles yield results in surprising qualitative accord with the laboratory observations. *Work in collaboration with C. Bizon, D. Goldman, W.D. McCormick, S.J. Moon, E. Rericha, M. Shattuck, and J. Swift. Supported by DOE.

Electronic structure and lattice dynamics of few-layer InSe

NASA Astrophysics Data System (ADS)

Webster, Lucas; Yan, Jia-An

Studies of Group-III monochalcogenides (MX, M = Ga and In, X = S, Se, and Te) have revealed their great potentials in many optoelectronic applications, including solar energy conversion, fabrication of memory devices and solid-state batteries. Among these semiconductors, indium selenide (InSe) has attracted particular attention due to its narrower direct bandgap, which makes it suitable for photovoltaic conversion. In this work, using first-principles calculations, we present a detailed study of the energetics, atomic structures, electronic structures, and lattice dynamics of InSe layers down to two-dimensional limit, namely, monolayer InSe and bilayer InSe with various stacking geometry. Calculations using various exchange-correlation functionals and pseudopotentials are tested and compared with experimental data. The dependence of the Raman spectra on the stacking geometry and the laser polarization will also be discussed. This work is supported by the SET Grant of the Fisher College of Science and Mathematics (FCSM) at the Towson University.

Oxysulfide LiAlSO: A Lithium Superionic Conductor from First Principles.

PubMed

Wang, Xuelong; Xiao, Ruijuan; Li, Hong; Chen, Liquan

2017-05-12

Through first-principles calculations and crystal structure prediction techniques, we identify a new layered oxysulfide LiAlSO in orthorhombic structure as a novel lithium superionic conductor. Two kinds of stacking sequences of layers of AlS_{2}O_{2} are found in different temperature ranges. Phonon and molecular dynamics simulations verify their dynamic stabilities, and wide band gaps up to 5.6 eV are found by electronic structure calculations. The lithium migration energy barrier simulations reveal the collective interstitial-host ion "kick-off" hopping mode with barriers lower than 50 meV as the dominating conduction mechanism for LiAlSO, indicating it to be a promising solid-state electrolyte in lithium secondary batteries with fast ionic conductivity and a wide electrochemical window. This is a first attempt in which the lithium superionic conductors are designed by the crystal structure prediction method and may help explore other mixed-anion battery materials.

Oxysulfide LiAlSO: A Lithium Superionic Conductor from First Principles

NASA Astrophysics Data System (ADS)

Wang, Xuelong; Xiao, Ruijuan; Li, Hong; Chen, Liquan

2017-05-01

Through first-principles calculations and crystal structure prediction techniques, we identify a new layered oxysulfide LiAlSO in orthorhombic structure as a novel lithium superionic conductor. Two kinds of stacking sequences of layers of AlS2O2 are found in different temperature ranges. Phonon and molecular dynamics simulations verify their dynamic stabilities, and wide band gaps up to 5.6 eV are found by electronic structure calculations. The lithium migration energy barrier simulations reveal the collective interstitial-host ion "kick-off" hopping mode with barriers lower than 50 meV as the dominating conduction mechanism for LiAlSO, indicating it to be a promising solid-state electrolyte in lithium secondary batteries with fast ionic conductivity and a wide electrochemical window. This is a first attempt in which the lithium superionic conductors are designed by the crystal structure prediction method and may help explore other mixed-anion battery materials.

Mapping carrier diffusion in single silicon core-shell nanowires with ultrafast optical microscopy.

PubMed

Seo, M A; Yoo, J; Dayeh, S A; Picraux, S T; Taylor, A J; Prasankumar, R P

2012-12-12

Recent success in the fabrication of axial and radial core-shell heterostructures, composed of one or more layers with different properties, on semiconductor nanowires (NWs) has enabled greater control of NW-based device operation for various applications. (1-3) However, further progress toward significant performance enhancements in a given application is hindered by the limited knowledge of carrier dynamics in these structures. In particular, the strong influence of interfaces between different layers in NWs on transport makes it especially important to understand carrier dynamics in these quasi-one-dimensional systems. Here, we use ultrafast optical microscopy (4) to directly examine carrier relaxation and diffusion in single silicon core-only and Si/SiO(2) core-shell NWs with high temporal and spatial resolution in a noncontact manner. This enables us to reveal strong coherent phonon oscillations and experimentally map electron and hole diffusion currents in individual semiconductor NWs for the first time.

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

Ma, Q. L., E-mail: maqinli@gmail.com, E-mail: mizukami@wpi-aimr.tohoku.ac.jp; Miyazaki, T.; Mizukami, S., E-mail: maqinli@gmail.com, E-mail: mizukami@wpi-aimr.tohoku.ac.jp

The laser-induced spin dynamics of FeCo in perpendicularly magnetized L1{sub 0}-MnGa/FeCo bilayers with ferromagnetic and antiferromagnetic interfacial exchange coupling (IEC) are examined using the time-resolved magneto-optical Kerr effect. We found a precessional phase reversal of the FeCo layer as the IEC changes from ferromagnetic to antiferromagnetic. Moreover, a precession-suspension window was observed when the magnetic field was applied in a certain direction for the bilayer with ferromagnetic IEC. Our observations reveal that the spin dynamics modulation is strongly dependent on the IEC type within the Landau-Lifshitz-Gilbert depiction. The IEC dependence of the precessional phase and amplitude suggests the interesting methodmore » for magnetization dynamics modulation.« less

High-Performance All 2D-Layered Tin Disulfide: Graphene Photodetecting Transistors with Thickness-Controlled Interface Dynamics.

PubMed

Chang, Ren-Jie; Tan, Haijie; Wang, Xiaochen; Porter, Benjamin; Chen, Tongxin; Sheng, Yuewen; Zhou, Yingqiu; Huang, Hefu; Bhaskaran, Harish; Warner, Jamie H

2018-04-18

Tin disulfide crystals with layered two-dimensional (2D) sheets are grown by chemical vapor deposition using a novel precursor approach and integrated into all 2D transistors with graphene (Gr) electrodes. The Gr:SnS 2 :Gr transistors exhibit excellent photodetector response with high detectivity and photoresponsivity. We show that the response of the all 2D photodetectors depends upon charge trapping at the interface and the Schottky barrier modulation. The thickness-dependent SnS 2 measurements in devices reveal a transition from the interface-dominated response for thin crystals to bulklike response for the thicker SnS 2 crystals, showing the sensitivity of devices fabricated using layered materials on the number of layers. These results show that SnS 2 has photosensing performance when combined with Gr electrodes that is comparable to other 2D transition metal dichalcogenides of MoS 2 and WS 2 .

Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy

PubMed Central

Black, Jennifer M.; Zhu, Mengyang; Zhang, Pengfei; Unocic, Raymond R.; Guo, Daqiang; Okatan, M. Baris; Dai, Sheng; Cummings, Peter T.; Kalinin, Sergei V.; Feng, Guang; Balke, Nina

2016-01-01

Atomic force microscopy (AFM) force-distance measurements are used to investigate the layered ion structure of Ionic Liquids (ILs) at the mica surface. The effects of various tip properties on the measured force profiles are examined and reveal that the measured ion position is independent of tip properties, while the tip radius affects the forces required to break through the ion layers as well as the adhesion force. Force data is collected for different ILs and directly compared with interfacial ion density profiles predicted by molecular dynamics. Through this comparison it is concluded that AFM force measurements are sensitive to the position of the ion with the larger volume and mass, suggesting that ion selectivity in force-distance measurements are related to excluded volume effects and not to electrostatic or chemical interactions between ions and AFM tip. The comparison also revealed that at distances greater than 1 nm the system maintains overall electroneutrality between the AFM tip and sample, while at smaller distances other forces (e.g., van der waals interactions) dominate and electroneutrality is no longer maintained. PMID:27587276

Complex Behavior of Aqueous α-Cyclodextrin Solutions. Interfacial Morphologies Resulting from Bulk Aggregation.

PubMed

Hernandez-Pascacio, Jorge; Piñeiro, Ángel; Ruso, Juan M; Hassan, Natalia; Campbell, Richard A; Campos-Terán, José; Costas, Miguel

2016-07-05

The spontaneous aggregation of α-cyclodextrin (α-CD) molecules in the bulk aqueous solution and the interactions of the resulting aggregates at the liquid/air interface have been studied at 283 K using a battery of techniques: transmission electron microscopy, dynamic light scattering, dynamic surface tensiometry, Brewster angle microscopy, neutron reflectometry, and ellipsometry. We show that α-CD molecules spontaneously form aggregates in the bulk that grow in size with time. These aggregates adsorb to the liquid/air interface with their size in the bulk determining the adsorption rate. The material that reaches the interface coalesces laterally to form two-dimensional domains on the micrometer scale with a layer thickness on the nanometer scale. These processes are affected by the ages of both the bulk and the interface. The interfacial layer formed is not in fast dynamic equilibrium with the subphase as the resulting morphology is locked in a kinetically trapped state. These results reveal a surprising complexity of the parallel physical processes taking place in the bulk and at the interface of what might have seemed initially like a simple system.

Segmental dynamics of polymers in nanoscopic confinements, as probed by simulations of polymer/layered-silicate nanocomposites.

PubMed

Kuppa, V; Foley, T M D; Manias, E

2003-09-01

In this paper we review molecular modeling investigations of polymer/layered-silicate intercalates, as model systems to explore polymers in nanoscopically confined spaces. The atomic-scale picture, as revealed by computer simulations, is presented in the context of salient results from a wide range of experimental techniques. This approach provides insights into how polymeric segmental dynamics are affected by severe geometric constraints. Focusing on intercalated systems, i.e. polystyrene (PS) in 2 nm wide slit-pores and polyethylene-oxide (PEO) in 1 nm wide slit-pores, a very rich picture for the segmental dynamics is unveiled, despite the topological constraints imposed by the confining solid surfaces. On a local scale, intercalated polymers exhibit a very wide distribution of segmental relaxation times (ranging from ultra-fast to ultra-slow, over a wide range of temperatures). In both cases (PS and PEO), the segmental relaxations originate from the confinement-induced local density variations. Additionally, where there exist special interactions between the polymer and the confining surfaces ( e.g., PEO) more molecular mechanisms are identified.

Diagnostics for Hypersonic Engine Control

DTIC Science & Technology

2013-02-01

weredirected across the flow at the entrance to the isolator just downstream of the facility nozzle . The near-infrared beams were frequency tuned across...the facility nozzle were used to study the dynamics of the shock train structure during these transient combustor events. They revealed the...entropy fluctuations in supersonic boundary layers can be quite short in time – on the order of tens of microseconds. We therefore sought data

Light-driven growth in Amazon evergreen forests explained by seasonal variations of vertical canopy structure.

PubMed

Tang, Hao; Dubayah, Ralph

2017-03-07

Light-regime variability is an important limiting factor constraining tree growth in tropical forests. However, there is considerable debate about whether radiation-induced green-up during the dry season is real, or an apparent artifact of the remote-sensing techniques used to infer seasonal changes in canopy leaf area. Direct and widespread observations of vertical canopy structures that drive radiation regimes have been largely absent. Here we analyze seasonal dynamic patterns between the canopy and understory layers in Amazon evergreen forests using observations of vertical canopy structure from a spaceborne lidar. We discovered that net leaf flushing of the canopy layer mainly occurs in early dry season, and is followed by net abscission in late dry season that coincides with increasing leaf area of the understory layer. Our observations of understory development from lidar either weakly respond to or are not correlated to seasonal variations in precipitation or insolation, but are strongly related to the seasonal structural dynamics of the canopy layer. We hypothesize that understory growth is driven by increased light gaps caused by seasonal variations of the canopy. This light-regime variability that exists in both spatial and temporal domains can better reveal the drought-induced green-up phenomenon, which appears less obvious when treating the Amazon forests as a whole.

Molecular dynamics simulations reveal that water diffusion between graphene oxide layers is slow

DOE PAGES

Devanathan, Ram; Chase-Woods, Dylan; Shin, Yongsoon; ...

2016-07-08

Membranes made of stacked layers of graphene oxide (GO) hold the tantalizing promise of revolutionizing desalination and water filtration if selective transport of molecules can be controlled. We present the findings of a molecular dynamics simulation study of water intercalated between GO layers that have a C/O ratio of 4. We simulated a range of hydration levels from 1 wt.% to 23.3 wt.% water. The interlayer spacing increased upon hydration from 0.8 nm to 1.1 nm. We also synthesized GO membranes that showed an increase in spacing from about 0.7 nm to 0.8 nm and an increase in mass ofmore » about 14% on hydration. Water diffusion through GO layers is an order of magnitude slower than that in bulk water, because of strong hydrogen bonded interactions. Most of the water molecules are bound to OH groups even at the highest hydration level. We observed large water clusters that could span graphitic regions, oxidized regions and holes that have been experimentally observed in GO. As a result, slow interlayer diffusion can be consistent with experimentally observed water transport in GO if holes lead to a shorter path length than previously assumed and sorption serves as a key rate-limiting step.« less

Ultrafast Optical Microscopy of Single Monolayer Molybdenum Disulfide Flakes

DOE PAGES

Seo, Minah; Yamaguchi, Hisato; Mohite, Aditya D.; ...

2016-02-15

We performed ultrafast optical microscopy on single flakes of atomically thin CVD-grown molybdenum disulfide, using non-degenerate femtosecond pump-probe spectroscopy to excite and probe carriers above and below the indirect and direct band gaps. These measurements reveal the influence of layer thickness on carrier dynamics when probing near the band gap. Furthermore, fluence-dependent measurements indicate that carrier relaxation is primarily influenced by surface-related defect and trap states after above-bandgap photoexcitation. Furthermore, the ability to probe femtosecond carrier dynamics in individual flakes can thus give much insight into light-matter interactions in these two-dimensional nanosystems.

First-principles many-body investigation of δ-doped titanates

NASA Astrophysics Data System (ADS)

Lechermann, Frank; Obermeyer, Michael

2015-03-01

Studying oxide heterostructures provides the possibility for exploring novel composite materials beyond nature's original conception. In this respect, the doping of Mott-insulating distorted-perovskite titanates such as LaTiO3 and GdTiO3 with a single SrO layer gives rise to a very rich correlated electronic structure. A realistic superlattice survey by means of the charge self-consistent combination of density functional theory (DFT) with dynamical mean-field theory (DMFT) reveals layer- and temperature-dependent multi-orbital metal-insulator transitions. In [001] stacking, an orbital-selective metallic layer at the interface dissolves via an orbital-polarized doped-Mott state into an orbital-ordered insulating regime beyond the two conducting TiO2 layers. We find large differences in the scattering behavior within the latter. Breaking the spin symmetry in δ-doped GdTiO3 results in blocks of ferromagnetic itinerant and ferromagnetic Mott-insulating layers which are coupled antiferromagnetically. Support from the DFG-FOR1346 is acknowledged.

Real time study of amalgam formation and mercury adsorption on thin gold film by total internal reflection ellipsometry

NASA Astrophysics Data System (ADS)

Paulauskas, A.; Selskis, A.; Bukauskas, V.; Vaicikauskas, V.; Ramanavicius, A.; Balevicius, Z.

2018-01-01

Total internal reflection ellipsometry (TIRE) was utilized in its dynamic data acquisition mode to reveal the percentage of mercury present in an amalgam surface layer. In determining the optical constants of the amalgam film, the non-homogeneities of the formed surface layer were taken into account. The composition of the amalgam layer by percentage was determined using the EMA Bruggemann model for the analysis of the TIRE data. Regression results showed that amalgam layer consisted of mercury 16.00 ± 0.43% and gold 84.00 ± 0.43%. This real time TIRE analysis has shown that for these studies method can detect 0.6 ± 0.4% of mercury on a gold surface, proving that this is a suitable optical technique for obtaining real time readouts. The structural analysis of SEM and AFM have shown that the amalgam layer had a dendritic structure, which formation was determined by the weak adhesion of the gold atoms onto its surface.

A Quantitative Model of Motility Reveals Low-Dimensional Variation in Exploratory Behavior Across Multiple Nematode Species

NASA Astrophysics Data System (ADS)

Helms, Stephen; Avery, Leon; Stephens, Greg; Shimizu, Tom

2014-03-01

Animal behavior emerges from many layers of biological organization--from molecular signaling pathways and neuronal networks to mechanical outputs of muscles. In principle, the large number of interconnected variables at each of these layers could imply dynamics that are complex and hard to control or even tinker with. Yet, for organisms to survive in a competitive, ever-changing environment, behavior must readily adapt. We applied quantitative modeling to identify important aspects of behavior in chromadorean nematodes ranging from the lab strain C. elegans N2 to wild strains and distant species. We revealed subtle yet important features such as speed control and heavy-tailed directional changes. We found that the parameters describing this behavioral model varied among individuals and across species in a correlated way that is consistent with a trade-off between exploratory and exploitative behavior.

Ras activation by SOS: Allosteric regulation by altered fluctuation dynamics

PubMed Central

Iversen, Lars; Tu, Hsiung-Lin; Lin, Wan-Chen; Christensen, Sune M.; Abel, Steven M.; Iwig, Jeff; Wu, Hung-Jen; Gureasko, Jodi; Rhodes, Christopher; Petit, Rebecca S.; Hansen, Scott D.; Thill, Peter; Yu, Cheng-Han; Stamou, Dimitrios; Chakraborty, Arup K.; Kuriyan, John; Groves, Jay T.

2014-01-01

Activation of the small guanosine triphosphatase H-Ras by the exchange factor Son of Sevenless (SOS) is an important hub for signal transduction. Multiple layers of regulation, through protein and membrane interactions, govern activity of SOS. We characterized the specific activity of individual SOS molecules catalyzing nucleotide exchange in H-Ras. Single-molecule kinetic traces revealed that SOS samples a broad distribution of turnover rates through stochastic fluctuations between distinct, long-lived (more than 100 seconds), functional states. The expected allosteric activation of SOS by Ras–guanosine triphosphate (GTP) was conspicuously absent in the mean rate. However, fluctuations into highly active states were modulated by Ras-GTP. This reveals a mechanism in which functional output may be determined by the dynamical spectrum of rates sampled by a small number of enzymes, rather than the ensemble average. PMID:24994643

Structure and Dynamics of Confined Alcohol-Water Mixtures.

PubMed

Bampoulis, Pantelis; Witteveen, Jorn P; Kooij, E Stefan; Lohse, Detlef; Poelsema, Bene; Zandvliet, Harold J W

2016-07-26

The effect of confinement between mica and graphene on the structure and dynamics of alcohol-water mixtures has been studied in situ and in real time at the molecular level by atomic force microscopy (AFM) at room temperature. AFM images reveal that the adsorbed molecules are segregated into faceted alcohol-rich islands on top of an ice layer on mica, surrounded by a pre-existing multilayer water-rich film. These faceted islands are in direct contact with the graphene surface, revealing a preferred adsorption site. Moreover, alcohol adsorption at low relative humidity (RH) reveals a strong preference of the alcohol molecules for the ordered ice interface. The growth dynamics of the alcohol islands is governed by supersaturation, temperature, the free energy of attachment of molecules to the island edge and two-dimensional (2D) diffusion. The measured diffusion coefficients display a size dependence on the molecular size of the alcohols, and are about 6 orders of magnitude smaller than the bulk diffusion coefficients, demonstrating the effect of confinement on the behavior of the alcohols. These experimental results provide new insights into the behavior of multicomponent fluids in confined geometries, which is of paramount importance in nanofluidics and biology.

Design and fabrication of a multi-layered solid dynamic phantom: validation platform on methods for reducing scalp-hemodynamic effect from fNIRS signal

NASA Astrophysics Data System (ADS)

Kawaguchi, Hiroshi; Tanikawa, Yukari; Yamada, Toru

2017-02-01

Scalp hemodynamics contaminates the signals from functional near-infrared spectroscopy (fNIRS). Numerous methods have been proposed to reduce this contamination, but no golden standard has yet been established. Here we constructed a multi-layered solid phantom to experimentally validate such methods. This phantom comprises four layers corresponding to epidermides, dermis/skull (upper dynamic layer), cerebrospinal fluid and brain (lower dynamic layer) and the thicknesses of these layers were 0.3, 10, 1, and 50 mm, respectively. The epidermides and cerebrospinal fluid layers were made of polystyrene and an acrylic board, respectively. Both of these dynamic layers were made of epoxy resin. An infrared dye and titanium dioxide were mixed to match their absorption and reduced scattering coefficients (μa and μs', respectively) with those of biological tissues. The bases of both upper and lower dynamic layers have a slot for laterally sliding a bar that holds an absorber piece. This bar was laterally moved using a programmable stepping motor. The optical properties of dynamic layers were estimated based on the transmittance and reflectance using the Monte Carlo look-up table method. The estimated coefficients for lower and upper dynamic layers approximately coincided with those for biological tissues. We confirmed that the preliminary fNIRS measurement using the fabricated phantom showed that the signals from the brain layer were recovered if those from the dermis layer were completely removed from their mixture, indicating that the phantom is useful for evaluating methods for reducing the contamination of the signals from the scalp.

Interacting opinion and disease dynamics in multiplex networks: Discontinuous phase transition and nonmonotonic consensus times

NASA Astrophysics Data System (ADS)

Velásquez-Rojas, Fátima; Vazquez, Federico

2017-05-01

Opinion formation and disease spreading are among the most studied dynamical processes on complex networks. In real societies, it is expected that these two processes depend on and affect each other. However, little is known about the effects of opinion dynamics over disease dynamics and vice versa, since most studies treat them separately. In this work we study the dynamics of the voter model for opinion formation intertwined with that of the contact process for disease spreading, in a population of agents that interact via two types of connections, social and contact. These two interacting dynamics take place on two layers of networks, coupled through a fraction q of links present in both networks. The probability that an agent updates its state depends on both the opinion and disease states of the interacting partner. We find that the opinion dynamics has striking consequences on the statistical properties of disease spreading. The most important is that the smooth (continuous) transition from a healthy to an endemic phase observed in the contact process, as the infection probability increases beyond a threshold, becomes abrupt (discontinuous) in the two-layer system. Therefore, disregarding the effects of social dynamics on epidemics propagation may lead to a misestimation of the real magnitude of the spreading. Also, an endemic-healthy discontinuous transition is found when the coupling q overcomes a threshold value. Furthermore, we show that the disease dynamics delays the opinion consensus, leading to a consensus time that varies nonmonotonically with q in a large range of the model's parameters. A mean-field approach reveals that the coupled dynamics of opinions and disease can be approximately described by the dynamics of the voter model decoupled from that of the contact process, with effective probabilities of opinion and disease transmission.

Intravital imaging reveals new ancillary mechanisms co-opted by cancer cells to drive tumor progression

PubMed Central

Lucas, Morghan C.; Timpson, Paul

2016-01-01

Intravital imaging is providing new insights into the dynamics of tumor progression in native tissues and has started to reveal the layers of complexity found in cancer. Recent advances in intravital imaging have allowed us to look deeper into cancer behavior and to dissect the interactions between tumor cells and the ancillary host niche that promote cancer development. In this review, we provide an insight into the latest advances in cancer biology achieved by intravital imaging, focusing on recently discovered mechanisms by which tumor cells manipulate normal tissue to facilitate disease progression. PMID:27239290

Origin of diverse time scales in the protein hydration layer solvation dynamics: A simulation study

NASA Astrophysics Data System (ADS)

Mondal, Sayantan; Mukherjee, Saumyak; Bagchi, Biman

2017-10-01

In order to inquire the microscopic origin of observed multiple time scales in solvation dynamics, we carry out several computer experiments. We perform atomistic molecular dynamics simulations on three protein-water systems, namely, lysozyme, myoglobin, and sweet protein monellin. In these experiments, we mutate the charges of the neighbouring amino acid side chains of certain natural probes (tryptophan) and also freeze the side chain motions. In order to distinguish between different contributions, we decompose the total solvation energy response in terms of various components present in the system. This allows us to capture the interplay among different self- and cross-energy correlation terms. Freezing the protein motions removes the slowest component that results from side chain fluctuations, but a part of slowness remains. This leads to the conclusion that the slow component approximately in the 20-80 ps range arises from slow water molecules present in the hydration layer. While the more than 100 ps component has multiple origins, namely, adjacent charges in amino acid side chains, hydrogen bonded water molecules and a dynamically coupled motion between side chain and water. In addition, the charges enforce a structural ordering of nearby water molecules and helps to form a local long-lived hydrogen bonded network. Further separation of the spatial and temporal responses in solvation dynamics reveals different roles of hydration and bulk water. We find that the hydration layer water molecules are largely responsible for the slow component, whereas the initial ultrafast decay arises predominantly (approximately 80%) due to the bulk. This agrees with earlier theoretical observations. We also attempt to rationalise our results with the help of a molecular hydrodynamic theory that was developed using classical time dependent density functional theory in a semi-quantitative manner.

Spin-glass-like freezing of inner and outer surface layers in hollow γ-Fe 2O 3 nanoparticles

DOE PAGES

Khurshid, Hafsa; Lampen-Kelley, Paula; Iglesias, Òscar; ...

2015-10-27

Disorder among surface spins largely dominates the magnetic response of ultrafine magnetic particle systems. In this work, we examine time-dependent magnetization in high-quality, monodisperse hollow maghemite nanoparticles (NPs) with a 14.8±0.5 nm outer diameter and enhanced surface-to-volume ratio. The nanoparticle ensemble exhibits spin-glass-like signatures in dc magnetic aging and memory protocols and ac magnetic susceptibility. The dynamics of the system slow near 50 K, and becomes frozen on experimental time scales below 20 K. Remanence curves indicate the development of magnetic irreversibility concurrent with the freezing of the spin dynamics. A strong exchange-bias effect and its training behavior point tomore » highly frustrated surface spins that rearrange much more slowly than interior spins with bulk coordination. Monte Carlo simulations of a hollow particle reproducing the experimental morphology corroborate strongly disordered surface layers with complex energy landscapes that underlie both glass-like dynamics and magnetic irreversibility. Calculated hysteresis loops reveal that magnetic behavior is not identical at the inner and outer surfaces, with spins at the outer surface layer of the 15 nm hollow particles exhibiting a higher degree of frustration. Lastly, our combined experimental and simulated results shed light on the origin of spin-glass-like phenomena and the important role played by the surface spins in magnetic hollow nanostructures.« less

Spin-glass-like freezing of inner and outer surface layers in hollow γ-Fe2O3 nanoparticles

PubMed Central

Khurshid, Hafsa; Lampen-Kelley, Paula; Iglesias, Òscar; Alonso, Javier; Phan, Manh-Huong; Sun, Cheng-Jun; Saboungi, Marie-Louise; Srikanth, Hariharan

2015-01-01

Disorder among surface spins is a dominant factor in the magnetic response of magnetic nanoparticle systems. In this work, we examine time-dependent magnetization in high-quality, monodisperse hollow maghemite nanoparticles (NPs) with a 14.8 ± 0.5 nm outer diameter and enhanced surface-to-volume ratio. The nanoparticle ensemble exhibits spin-glass-like signatures in dc magnetic aging and memory protocols and ac magnetic susceptibility. The dynamics of the system slow near 50 K, and become frozen on experimental time scales below 20 K. Remanence curves indicate the development of magnetic irreversibility concurrent with the freezing of the spin dynamics. A strong exchange-bias effect and its training behavior point to highly frustrated surface spins that rearrange much more slowly than interior spins. Monte Carlo simulations of a hollow particle corroborate strongly disordered surface layers with complex energy landscapes that underlie both glass-like dynamics and magnetic irreversibility. Calculated hysteresis loops reveal that magnetic behavior is not identical at the inner and outer surfaces, with spins at the outer surface layer of the 15 nm hollow particles exhibiting a higher degree of frustration. Our combined experimental and simulated results shed light on the origin of spin-glass-like phenomena and the important role played by the surface spins in magnetic hollow nanostructures. PMID:26503506

Electrokinetically induced alterations in dynamic response of viscoelastic fluids in narrow confinements.

PubMed

Bandopadhyay, Aditya; Chakraborty, Suman

2012-05-01

We investigate a dynamical interplay between interfacial electrokinetics and a combined dissipative and elastic behavior of flow through narrow confinements, in analogy with spatiotemporal hydrodynamics of porous media. In particular, we investigate the effects of streaming potential on the pertinent dynamic responses, by choosing a Maxwell fluid model for representing the consequent electro-hydrodynamic characteristics. We transform the pertinent governing equation to the frequency domain, so that a dynamic generalization of Darcy's law in the presence of streaming potential effects can be effectively realized. We show that the frequencies corresponding to local maxima in the dynamic permeability also correspond to local maxima in the induced streaming potential. We also bring out the effects of Stern layer conductivity on the dynamic permeability. Our analytical estimates do reveal that serious overestimations in the commonly portrayed notion of massive amplifications of dynamic permeability at resonating frequencies may be possible, if interactions between spontaneous electrochemical interfacial phenomena and pulsating pressure-gradient-driven viscoelastic transport are trivially ignored.

Operando Lithium Dynamics in the Li-Rich Layered Oxide Cathode Material via Neutron Diffraction

DOE PAGES

Liu, Haodong; An, Ke; Venkatachalam, Subramanian; ...

2016-04-06

Neutron diffraction under operando battery cycling is used to study the lithium and oxygen dynamics of high Li-rich Li(Li x/3Ni (3/8-3x/8)Co (1/4-x/4)Mn (3/8+7x/24)O 2 (x = 0.6, HLR) and low Li-rich Li(Li x/3Ni (1/3-x/3)Co (1/3-x/3)Mn(1/3+x/3)O 2 (x = 0.24, LLR) compounds that exhibit different degrees of oxygen activation at high voltage. The measured lattice parameter changes and oxygen position show largely contrasting changes for the two cathodes where the LLR exhibits larger movement of oxygen and lattice contractions in comparison to the HLR that maintains relatively constant lattice parameters and oxygen position during the high voltage plateau until the endmore » of charge. Density functional theory calculations show the presence of oxygen vacancy during the high voltage plateau; changes in the lattice parameters and oxygen position are consistent with experimental observations. Lithium migration kinetics for the Li-rich material is observed under operando conditions for the first time to reveal the rate of lithium extraction from the lithium layer, and transition metal layer is related to the different charge and discharge characteristics. At the beginning of charging, the lithium extraction predominately occurs within the lithium layer. The lithium extraction from the lithium layer slows down and extraction from the transition metal layer evolves at a faster rate once the high voltage plateau is reached.« less

Liquid/liquid interface layering of 1-butanol and [bmim]PF6 ionic liquid: a nonlinear vibrational spectroscopy and molecular dynamics simulation study.

PubMed

Iwahashi, Takashi; Ishiyama, Tatsuya; Sakai, Yasunari; Morita, Akihiro; Kim, Doseok; Ouchi, Yukio

2015-10-14

IR-visible sum-frequency generation (IV-SFG) vibrational spectroscopy and a molecular dynamics (MD) simulation were used to study the local layering order at the interface of 1-butanol-d9 and 1-butyl-3-methylimidazolium hexafluorophosphate ([bmim]PF6), a room-temperature ionic liquid (RTIL). The presence of a local non-polar layer at the interface of the two polar liquids was successfully demonstrated. In the SFG spectra of 1-butanol-d9, we observed significant reduction and enhancement in the strength of the CD3 symmetric stretching (r(+)) mode and the antisymmetric stretching (r(-)) mode peaks, respectively. The results can be well explained by the presence of an oppositely oriented quasi-bilayer structure of butanol molecules, where the bottom layer is strongly bound by hydrogen-bonding with the PF6(-) anion. MD simulations reveal that the hydrogen-bonding of butanol with the PF6(-) anion causes the preferential orientation of the butanols; the restriction on the rotational distribution of the terminal methyl group along their C3 axis enhances the r(-) mode. As for the [bmim](+) cations, the SFG spectra taken within the CH stretch region indicate that the butyl chain of [bmim](+) points away from the bulk RTIL phase to the butanol phase at the interface. Combining the SFG spectroscopy and MD simulation results, we propose an interfacial model structure of layering, in which the butyl chains of the butanol molecules form a non-polar interfacial layer with the butyl chains of the [bmim](+) cations at the interface.

Effect of CaCl2 on the property of an anionic surfactant monolayer formed at the air/water interface: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Zhang, Tiantian; You, Jing; Yu, Jiliang; Fan, Chengcheng; Ma, Yunfei; Cui, Yanjie; Gao, Shanshan; Li, Yongbin; Hu, Songqing; Liu, Huiqin

2017-12-01

Molecular dynamics simulation had been carried out to investigate the influence of CaCl2 on the aggregation behaviour of sodium dodecyl polyoxyethylene sulfonate (A12E2SO3) at the air/water interface. First, structure properties of A12E2SO3 monolayer was studied by analyzing the snapshots of the configuration and density profiles of different components in A12E2SO3 systems. Results showed that Ca2+ could replace some Na+ to combine with the hydrophilic headgroups. Besides, the addition of CaCl2 could reduce the thickness of water layer at the interface. Second, the interactions between A12E2SO3 headgroups and water molecules were studied through calculating radial distribution functions (RDFs) between water molecules and the sulfonate group, as well as the oxyethyl group. Results revealed that Ca2+ could penetrate the hydration layer of the sulfonate group, but could not enter the first hydration layer of the oxygen ethyl group close to the sulfonate group. The addition of CaCl2 could make the degree of hydration more orderly and the thickness of hydration layer in the headgroups of A12E2SO3 molecules increase. Third, the property of interface double layer was studied through analyzing RDFs of the headgroups and counterions. Results showed that the addition of CaCl2 could not only reduce the interaction between the headgroups and the counterions, but also compress the thickness of the electric double layer in A12E2SO3 system.

A fully dynamic model of a multi-layer piezoelectric actuator incorporating the power amplifier

NASA Astrophysics Data System (ADS)

Zhu, Wei; Yang, Fufeng; Rui, Xiaoting

2017-12-01

The dynamic input-output characteristics of the multi-layer piezoelectric actuator (PA) are intrinsically rate-dependent and hysteresis. Meanwhile, aiming at the strong capacitive impedance of multi-layer PA, the power amplifier of the actuator can greatly affect the dynamic performances of the actuator. In this paper, a novel dynamic model that includes a model of the electric circuit providing voltage to the actuator, an inverse piezoelectric effect model describing the hysteresis and creep behavior of the actuator, and a mechanical model, in which the vibration characteristics of the multi-layer PA is described, is put forward. Validation experimental tests are conducted. Experimental results show that the proposed dynamic model can accurately predict the fully dynamic behavior of the multi-layer PA with different driving power.

Dynamical role of Ekman pumping in rapidly rotating convection

NASA Astrophysics Data System (ADS)

Stellmach, Stephan; Julien, Keith; Cheng, Jonathan; Aurnou, Jonathan

2015-04-01

The exact nature of the mechanical boundary conditions (i.e. no-slip versus stress-free) is usually considered to be of secondary importance in the rapidly rotating parameter regime characterizing planetary cores. While they have considerable influence for the Ekman numbers achievable in today's global simulations, for planetary values both the viscous Ekman layers and the associated secondary flows are generally expected to become negligibly small. In fact, usually the main purpose of using stress-free boundary conditions in numerical dynamo simulations is to suppress unrealistically large friction and pumping effects. In this study, we investigate the influence of the mechanical boundary conditions on core convection systematically. By restricting ourselves to the idealized case of rapidly rotating Rayleigh-Bénard convection, we are able to combine results from direct numerical simulations (DNS), laboratory experiments and asymptotic theory into a coherent picture. Contrary to the general expectation, we show that the dynamical effects of Ekman pumping increase with decreasing Ekman number over the investigated parameter range. While stress-free DNS results converge to the asymptotic predictions, both no-slip simulations and laboratory experiments consistently reveal increasingly large deviations from the existing asymptotic theory based on dynamically passive Ekman layers. The implications of these results for core dynamics are discussed briefly.

Observing the Heterogeneous Electro-redox of Individual Single-Layer Graphene Sheets.

PubMed

Chen, Tao; Zhang, Yuwei; Xu, Weilin

2016-09-27

Electro-redox-induced heterogeneous fluorescence of an individual single-layer graphene sheet was observed in real time by a total internal reflection fluorescence microscope. It was found that the fluorescence intensity of an individual sheet can be tuned reversibly by applying periodic voltages to control the redox degree of graphene sheets. Accordingly, the oxidation and reduction kinetics of an individual single-layer graphene sheet was studied at different voltages. The electro-redox-induced reversible variation of fluorescence intensity of individual sheets indicates a reversible band gap tuning strategy. Furthermore, correlation analysis of redox rate constants on individual graphene sheets revealed a redox-induced spatiotemporal heterogeneity or dynamics of graphene sheets. The observed controllable redox kinetics can rationally guide the precise band gap tuning of individual graphene sheets and then help their extensive applications in optoelectronics and devices for renewable energy.

A crossover in anisotropic nanomechanochemistry of van der Waals crystals

NASA Astrophysics Data System (ADS)

Shimamura, Kohei; Misawa, Masaaki; Li, Ying; Kalia, Rajiv K.; Nakano, Aiichiro; Shimojo, Fuyuki; Vashishta, Priya

2015-12-01

In nanoscale mechanochemistry, mechanical forces selectively break covalent bonds to essentially control chemical reactions. An archetype is anisotropic detonation of layered energetic molecular crystals bonded by van der Waals (vdW) interactions. Here, quantum molecular dynamics simulations reveal a crossover of anisotropic nanomechanochemistry of vdW crystal. Within 10-13 s from the passage of shock front, lateral collision produces NO2 via twisting and bending of nitro-groups and the resulting inverse Jahn-Teller effect, which is mediated by strong intra-layer hydrogen bonds. Subsequently, as we transition from heterogeneous to homogeneous mechanochemical regimes around 10-12 s, shock normal to multilayers becomes more reactive, producing H2O assisted by inter-layer N-N bond formation. These time-resolved results provide much needed atomistic understanding of nanomechanochemistry that underlies a wider range of technologies.

Mantle dynamics and seismic tomography

PubMed Central

Tanimoto, Toshiro; Lay, Thorne

2000-01-01

Three-dimensional imaging of the Earth's interior, called seismic tomography, has achieved breakthrough advances in the last two decades, revealing fundamental geodynamical processes throughout the Earth's mantle and core. Convective circulation of the entire mantle is taking place, with subducted oceanic lithosphere sinking into the lower mantle, overcoming the resistance to penetration provided by the phase boundary near 650-km depth that separates the upper and lower mantle. The boundary layer at the base of the mantle has been revealed to have complex structure, involving local stratification, extensive structural anisotropy, and massive regions of partial melt. The Earth's high Rayleigh number convective regime now is recognized to be much more interesting and complex than suggested by textbook cartoons, and continued advances in seismic tomography, geodynamical modeling, and high-pressure–high-temperature mineral physics will be needed to fully quantify the complex dynamics of our planet's interior. PMID:11035784

Molecular kinetics. Ras activation by SOS: allosteric regulation by altered fluctuation dynamics.

PubMed

Iversen, Lars; Tu, Hsiung-Lin; Lin, Wan-Chen; Christensen, Sune M; Abel, Steven M; Iwig, Jeff; Wu, Hung-Jen; Gureasko, Jodi; Rhodes, Christopher; Petit, Rebecca S; Hansen, Scott D; Thill, Peter; Yu, Cheng-Han; Stamou, Dimitrios; Chakraborty, Arup K; Kuriyan, John; Groves, Jay T

2014-07-04

Activation of the small guanosine triphosphatase H-Ras by the exchange factor Son of Sevenless (SOS) is an important hub for signal transduction. Multiple layers of regulation, through protein and membrane interactions, govern activity of SOS. We characterized the specific activity of individual SOS molecules catalyzing nucleotide exchange in H-Ras. Single-molecule kinetic traces revealed that SOS samples a broad distribution of turnover rates through stochastic fluctuations between distinct, long-lived (more than 100 seconds), functional states. The expected allosteric activation of SOS by Ras-guanosine triphosphate (GTP) was conspicuously absent in the mean rate. However, fluctuations into highly active states were modulated by Ras-GTP. This reveals a mechanism in which functional output may be determined by the dynamical spectrum of rates sampled by a small number of enzymes, rather than the ensemble average. Copyright © 2014, American Association for the Advancement of Science.

Neuro-Inspired Spike-Based Motion: From Dynamic Vision Sensor to Robot Motor Open-Loop Control through Spike-VITE

PubMed Central

Perez-Peña, Fernando; Morgado-Estevez, Arturo; Linares-Barranco, Alejandro; Jimenez-Fernandez, Angel; Gomez-Rodriguez, Francisco; Jimenez-Moreno, Gabriel; Lopez-Coronado, Juan

2013-01-01

In this paper we present a complete spike-based architecture: from a Dynamic Vision Sensor (retina) to a stereo head robotic platform. The aim of this research is to reproduce intended movements performed by humans taking into account as many features as possible from the biological point of view. This paper fills the gap between current spike silicon sensors and robotic actuators by applying a spike processing strategy to the data flows in real time. The architecture is divided into layers: the retina, visual information processing, the trajectory generator layer which uses a neuroinspired algorithm (SVITE) that can be replicated into as many times as DoF the robot has; and finally the actuation layer to supply the spikes to the robot (using PFM). All the layers do their tasks in a spike-processing mode, and they communicate each other through the neuro-inspired AER protocol. The open-loop controller is implemented on FPGA using AER interfaces developed by RTC Lab. Experimental results reveal the viability of this spike-based controller. Two main advantages are: low hardware resources (2% of a Xilinx Spartan 6) and power requirements (3.4 W) to control a robot with a high number of DoF (up to 100 for a Xilinx Spartan 6). It also evidences the suitable use of AER as a communication protocol between processing and actuation. PMID:24264330

Neuro-inspired spike-based motion: from dynamic vision sensor to robot motor open-loop control through spike-VITE.

PubMed

Perez-Peña, Fernando; Morgado-Estevez, Arturo; Linares-Barranco, Alejandro; Jimenez-Fernandez, Angel; Gomez-Rodriguez, Francisco; Jimenez-Moreno, Gabriel; Lopez-Coronado, Juan

2013-11-20

In this paper we present a complete spike-based architecture: from a Dynamic Vision Sensor (retina) to a stereo head robotic platform. The aim of this research is to reproduce intended movements performed by humans taking into account as many features as possible from the biological point of view. This paper fills the gap between current spike silicon sensors and robotic actuators by applying a spike processing strategy to the data flows in real time. The architecture is divided into layers: the retina, visual information processing, the trajectory generator layer which uses a neuroinspired algorithm (SVITE) that can be replicated into as many times as DoF the robot has; and finally the actuation layer to supply the spikes to the robot (using PFM). All the layers do their tasks in a spike-processing mode, and they communicate each other through the neuro-inspired AER protocol. The open-loop controller is implemented on FPGA using AER interfaces developed by RTC Lab. Experimental results reveal the viability of this spike-based controller. Two main advantages are: low hardware resources (2% of a Xilinx Spartan 6) and power requirements (3.4 W) to control a robot with a high number of DoF (up to 100 for a Xilinx Spartan 6). It also evidences the suitable use of AER as a communication protocol between processing and actuation.

Spreading of Electrolyte Drops on Charged Surfaces: Electric Double Layer Effects on Drop Dynamics

NASA Astrophysics Data System (ADS)

Bae, Kyeong; Sinha, Shayandev; Chen, Guang; Das, Siddhartha

2015-11-01

Drop spreading is one of the most fundamental topics of wetting. Here we study the spreading of electrolyte drops on charged surfaces. The electrolyte solution in contact with the charged solid triggers the formation of an electric double layer (EDL). We develop a theory to analyze how the EDL affects the drop spreading. The drop dynamics is studied by probing the EDL effects on the temporal evolution of the contact angle and the base radius (r). The EDL effects are found to hasten the spreading behaviour - this is commensurate to the EDL effects causing a ``philic'' tendency in the drops (i.e., drops attaining a contact angle smaller than its equilibrium value), as revealed by some of our recent papers. We also develop scaling laws to illustrate the manner in which the EDL effects make the r versus time (t) variation deviate from the well known r ~tn variation, thereby pinpointing the attainment of different EDL-mediated spreading regimes.

Dynamics of molecular rotors confined in two dimensions: transition from a 2D rotational glass to a 2D rotational fluid in a periodic mesoporous organosilica.

PubMed

Vogelsberg, Cortnie S; Bracco, Silvia; Beretta, Mario; Comotti, Angiolina; Sozzani, Piero; Garcia-Garibay, Miguel A

2012-02-09

The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, characterized by a honeycomb lattice structure, has arrays of alternating p-divinylbenzene rotors and siloxane layers forming the molecularly ordered walls of the mesoscopic channels. The p-divinylbenzene rotors are strongly anchored between two adjacent siloxane sheets, so that the p-phenylene rotators are unable to experience translational diffusion and are allowed to rotate about only one fixed axis. Variable-temperature (2)H NMR experiments revealed that the p-phenylene rotators undergo an exchange process between sites related by 180° and a non-Arrhenius temperature dependence of the dynamics, with reorientational rates ranging from 10(3) to 10(8) Hz between 215 to 305 K. The regime of motion changes rapidly at about 280 K indicating the occurrence of a dynamical transition. The transition was also recognized by a steep change in the heat capacity at constant pressure. As a result of the robust lamellar architecture comprising the pore walls, the orientational dynamic disorder related to the phase transition is only realized in two dimensions within the layers, that is in the plane perpendicular to the channel axis. Thus, the aligned rotors that form the organic layers exhibit unique anisotropic dynamical properties as a result of the architecture's reduced dimensionality. The dynamical disorder restricted to two dimensions constitutes a highly mobile fluidlike rotational phase at room temperature, which upon cooling undergoes a transition to a more rigid glasslike phase. Activation energies of 5.9 and 9.5 kcal/mol respectively have been measured for the two dynamical regimes of rotation. Collectively, our investigation has led to the discovery of an orientationally disordered 2D rotational glass and its transition from rigid to soft at increasing temperature. The spectral narrowing observed in the (2)H NMR experiments at higher temperatures (310-420 K) is consistent with fast rotational dynamics, which remain anisotropic in nature within the robust lamellar architecture. This study suggests that exploiting reduced dimensionality in the design of solid-state artificial molecular machines and functional materials may yield access to behavior previously unrealized in 3D materials. © 2012 American Chemical Society

Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy

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

Black, Jennifer M.; Zhu, Mengyang; Zhang, Pengfei

In this paper, atomic force microscopy (AFM) force-distance measurements are used to investigate the layered ion structure of Ionic Liquids (ILs) at the mica surface. The effects of various tip properties on the measured force profiles are examined and reveal that the measured ion position is independent of tip properties, while the tip radius affects the forces required to break through the ion layers as well as the adhesion force. Force data is collected for different ILs and directly compared with interfacial ion density profiles predicted by molecular dynamics. Through this comparison it is concluded that AFM force measurements aremore » sensitive to the position of the ion with the larger volume and mass, suggesting that ion selectivity in force-distance measurements are related to excluded volume effects and not to electrostatic or chemical interactions between ions and AFM tip. Finally, the comparison also revealed that at distances greater than 1 nm the system maintains overall electroneutrality between the AFM tip and sample, while at smaller distances other forces (e.g., van der waals interactions) dominate and electroneutrality is no longer maintained.« less

Adsorption of modified dextrins on molybdenite: AFM imaging, contact angle, and flotation studies.

PubMed

Beaussart, Audrey; Parkinson, Luke; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2012-02-15

The adsorption of three dextrins (a regular wheat dextrin, Dextrin TY, carboxymethyl (CM) Dextrin, and hydroxypropyl (HP) Dextrin) on molybdenite has been investigated using adsorption isotherms, tapping mode atomic force microscopy (TMAFM), contact angle measurements, and dynamic bubble-surface collisions. In addition, the effect of the polymers on the flotation recovery of molybdenite has been determined. The isotherms revealed the importance of molecular weight in determining the adsorbed amounts of the polymers on molybdenite at plateau coverage. TMAFM revealed the morphology of the three polymers, which consisted of randomly dispersed domains with a higher area fraction of surface coverage for the substituted dextrins. The contact angle of polymer-treated molybdenite indicated that polymer layer coverage and hydration influenced the mineral surface hydrophobicity. Bubble-surface collisions indicated that the polymers affected thin film rupture and dewetting rate differently, correlating with differences in the adsorbed layer morphology. Direct correlations were found between the surface coverage of the adsorbed layers, their impact on thin film rupture time, and their impact on flotation recovery, highlighting the paramount role of the polymer morphology in the bubble/particle attachment process and subsequent flotation. Copyright © 2011 Elsevier Inc. All rights reserved.

Fundamental aspects of electric double layer force-distance measurements at liquid-solid interfaces using atomic force microscopy

DOE PAGES

Black, Jennifer M.; Zhu, Mengyang; Zhang, Pengfei; ...

2016-09-02

In this paper, atomic force microscopy (AFM) force-distance measurements are used to investigate the layered ion structure of Ionic Liquids (ILs) at the mica surface. The effects of various tip properties on the measured force profiles are examined and reveal that the measured ion position is independent of tip properties, while the tip radius affects the forces required to break through the ion layers as well as the adhesion force. Force data is collected for different ILs and directly compared with interfacial ion density profiles predicted by molecular dynamics. Through this comparison it is concluded that AFM force measurements aremore » sensitive to the position of the ion with the larger volume and mass, suggesting that ion selectivity in force-distance measurements are related to excluded volume effects and not to electrostatic or chemical interactions between ions and AFM tip. Finally, the comparison also revealed that at distances greater than 1 nm the system maintains overall electroneutrality between the AFM tip and sample, while at smaller distances other forces (e.g., van der waals interactions) dominate and electroneutrality is no longer maintained.« less

Cortical and thalamic contributions to response dynamics across layers of the primary somatosensory cortex during tactile discrimination

PubMed Central

Pais-Vieira, Miguel; Kunicki, Carolina; Tseng, Po-He; Martin, Joel; Lebedev, Mikhail

2015-01-01

Tactile information processing in the rodent primary somatosensory cortex (S1) is layer specific and involves modulations from both thalamocortical and cortico-cortical loops. However, the extent to which these loops influence the dynamics of the primary somatosensory cortex while animals execute tactile discrimination remains largely unknown. Here, we describe neural dynamics of S1 layers across the multiple epochs defining a tactile discrimination task. We observed that neuronal ensembles within different layers of the S1 cortex exhibited significantly distinct neurophysiological properties, which constantly changed across the behavioral states that defined a tactile discrimination. Neural dynamics present in supragranular and granular layers generally matched the patterns observed in the ventral posterior medial nucleus of the thalamus (VPM), whereas the neural dynamics recorded from infragranular layers generally matched the patterns from the posterior nucleus of the thalamus (POM). Selective inactivation of contralateral S1 specifically switched infragranular neural dynamics from POM-like to those resembling VPM neurons. Meanwhile, ipsilateral M1 inactivation profoundly modulated the firing suppression observed in infragranular layers. This latter effect was counterbalanced by contralateral S1 block. Tactile stimulus encoding was layer specific and selectively affected by M1 or contralateral S1 inactivation. Lastly, causal information transfer occurred between all neurons in all S1 layers but was maximal from infragranular to the granular layer. These results suggest that tactile information processing in the S1 of awake behaving rodents is layer specific and state dependent and that its dynamics depend on the asynchronous convergence of modulations originating from ipsilateral M1 and contralateral S1. PMID:26180115

Release properties of tannic acid from hydrogen bond driven antioxidative cellulose nanofibrous films.

PubMed

Zhou, Bin; Hu, Xiaoqian; Zhu, Jinjin; Wang, Zhenzhen; Wang, Xichang; Wang, Mingfu

2016-10-01

Layer-by-layer (LBL) assembled films have been exploited for surface-mediated bioactive compound delivery. Here, an antioxidative hydrogen-bonded multilayer electrospun nanofibrous film was fabricated from tannic acid (TA), acting as a polyphenolic antioxidant, and poly(ethylene glycol) (PEG) via layer-by-layer assembly. It overcame the burst release behavior of nanofibrous carrier, due to the reversible/dynamic nature of hydrogen bond, which was responded to external stimuli. The PEG/TA nanofibrous films disassembled gradually and released TA to the media, when soaked in aqueous solutions. The release rate of TA increased with increasing bilayer number, pH and temperature, but decreased with enhancing ionic strength. The surface morphology of the nanofibrous mats was observed by scanning electron microscopy (SEM). The following antioxidant activity assay revealed that it could scavenge DPPH free radicals and ABTS(+) cation radicals, a major biological activity of polyphenols. This technology can be used to fabricate other phenolic-containing slowly releasing antioxidative nanofibrous films. Copyright © 2016 Elsevier B.V. All rights reserved.

Effects of Organic Cation Length on Exciton Recombination in Two-Dimensional Layered Lead Iodide Hybrid Perovskite Crystals.

PubMed

Gan, Lu; Li, Jing; Fang, Zhishan; He, Haiping; Ye, Zhizhen

2017-10-19

In recent years, 2D layered organic-inorganic lead halide perovskites have attracted considerable attention due to the distinctive quantum confinement effects as well as prominent excitonic luminescence. Herein, we show that the recombination dynamics and photoluminescence (PL) of the 2D layered perovskites can be tuned by the organic cation length. 2D lead iodide perovskite crystals with increased length of the organic chains reveal blue-shifted PL as well as enhanced relative internal quantum efficiency. Furthermore, we provide experimental evidence that the formation of face-sharing [PbI 6 ] 4- octahedron in perovskites with long alkyls induces additional confinement for the excitons, leading to 1D-like recombination. As a result, the PL spectra show enhanced inhomogeneous broadening at low temperature. Our work provides physical understanding of the role of organic cation in the optical properties of 2D layered perovskites, and would benefit the improvement of luminescence efficiency of such materials.

The effect of interlaminar graphene nano-sheets reinforced e-glass fiber/ epoxy on low velocity impact response of a composite plate

NASA Astrophysics Data System (ADS)

Al-Maharma, A. Y.; Sendur, P.

2018-05-01

In this study, we compare the inter-laminar effect of graphene nano-sheets (GNSs) and CNTs on the single and multiple dynamic impact response of E-glass fiber reinforced epoxy composite (GFEP). In the comparisons, raw GFEP composite is used as baseline for quantifying the improvement on the dynamic impact response. For that purpose, finite element based models are developed for GNSs on GFEP, graphene coating on glass fibers, inter-laminar composite of CNTs reinforced polyester at 7.5 vol%, and combinations of all these reinforcements. Comparisons are made on three metrics: (i) total deformation, (ii) the contact force, and (iii) internal energy of the composite plate. The improvement on axial modulus (E1) of GFEP reinforced with one layer of GNS (0.5 wt%) without polyester at lamination sequence of [0]8 is 29.4%, which is very close to the improvement of 31% on storage modulus for multi-layer graphene with 0.5 wt% reinforced E-glass/epoxy composite at room temperature. Using three GNSs (1.5 wt%) reinforced polyester composite as interlaminar layer results in an improvement of 57.1% on E1 of GFEP composite. The simulation results reveal that the interlaminar three GNSs/polyester composite at mid-plane of GFEP laminated composite can significantly improve the dynamic impact resistance of GFEP structure compared to the other aforementioned structural reinforcements. Reinforcing GFEP composite with three layers of GNSs/polyester composite at mid-plane results in an average of 35% improvement on the dynamic impact resistance for healthy and damaged composite plate under low velocity impacts of single and multiple steel projectiles. This model can find application in various areas including structural health monitoring, fire retardant composite, and manufacturing of high strength and lightweight mechanical parts such as gas tank, aircraft wings and wind turbine blades.

Expression profiling of mouse subplate reveals a dynamic gene network and disease association with autism and schizophrenia

PubMed Central

Hoerder-Suabedissen, Anna; Oeschger, Franziska M.; Krishnan, Michelle L.; Belgard, T. Grant; Wang, Wei Zhi; Lee, Sheena; Webber, Caleb; Petretto, Enrico; Edwards, A. David; Molnár, Zoltán

2013-01-01

The subplate zone is a highly dynamic transient sector of the developing cerebral cortex that contains some of the earliest generated neurons and the first functional synapses of the cerebral cortex. Subplate cells have important functions in early establishment and maturation of thalamocortical connections, as well as in the development of inhibitory cortical circuits in sensory areas. So far no role has been identified for cells in the subplate in the mature brain and disease association of the subplate-specific genes has not been analyzed systematically. Here we present gene expression evidence for distinct roles of the mouse subplate across development as well as unique molecular markers to extend the repertoire of subplate labels. Performing systematic comparisons between different ages (embryonic days 15 and 18, postnatal day 8, and adult), we reveal the dynamic and constant features of the markers labeling subplate cells during embryonic and early postnatal development and in the adult. This can be visualized using the online database of subplate gene expression at https://molnar.dpag.ox.ac.uk/subplate/. We also identify embryonic similarities in gene expression between the ventricular zones, intermediate zone, and subplate, and distinct postnatal similarities between subplate, layer 5, and layers 2/3. The genes expressed in a subplate-specific manner at some point during development show a statistically significant enrichment for association with autism spectrum disorders and schizophrenia. Our report emphasizes the importance of the study of transient features of the developing brain to better understand neurodevelopmental disorders. PMID:23401504

Thermal phase transition behavior of lipid layers on a single human corneocyte cell.

PubMed

Imai, Tomohiro; Nakazawa, Hiromitsu; Kato, Satoru

2013-09-01

We have improved the selected area electron diffraction method to analyze the dynamic structural change in a single corneocyte cell non-invasively stripped off from human skin surface. The improved method made it possible to obtain reliable diffraction images to trace the structural change in the intercellular lipid layers on a single corneocyte cell during heating from 24°C to 100°C. Comparison of the results with those of synchrotron X-ray diffraction experiments on human stratum corneum sheets revealed that the intercellular lipid layers on a corneocyte cell exhibit essentially the same thermal phase transitions as those in a stratum corneum sheet. These results suggest that the structural features of the lipid layers are well preserved after the mechanical stripping of the corneocyte cell. Moreover, electron diffraction analyses of the thermal phase transition behaviors of the corneocyte cells that had the lipid layers with different distributions of orthorhombic and hexagonal domains at 24°C suggested that small orthorhombic domains interconnected with surrounding hexagonal domains transforms in a continuous manner into new hexagonal domains. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

Origin of Shear Stability and Compressive Ductility Enhancement of Metallic Glasses by Metal Coating

PubMed Central

Sun, B. A.; Chen, S. H.; Lu, Y. M.; Zhu, Z. G.; Zhao, Y. L.; Yang, Y.; Chan, K. C.; Liu, C. T.

2016-01-01

Metallic glasses (MGs) are notorious for the poor macroscopic ductility and to overcome the weakness various intrinsic and extrinsic strategies have been proposed in past decades. Among them, the metal coating is regarded as a flexible and facile approach, yet the physical origin is poorly understood due to the complex nature of shear banding process. Here, we studied the origin of ductile enhancement in the Cu-coating both experimentally and theoretically. By examining serrated shear events and their stability of MGs, we revealed that the thin coating layer plays a key role in stopping the final catastrophic failure of MGs by slowing down shear band dynamics and thus retarding its attainment to a critical instable state. The mechanical analysis on interplay between the coating layer and shear banding process showed the enhanced shear stability mainly comes from the lateral tension of coating layer induced by the surface shear step and the bonding between the coating layer and MGs rather than the layer thickness is found to play a key role in contributing to the shear stability. PMID:27271435

An ab initio study of the structure and atomic transport in bulk liquid Ag and its liquid-vapor interface

NASA Astrophysics Data System (ADS)

del Rio, Beatriz G.; González, David J.; González, Luis E.

2016-10-01

Several static and dynamic properties of bulk liquid Ag at a thermodynamic state near its triple point have been calculated by means of ab initio molecular dynamics simulations. The calculated static structure shows a very good agreement with the available experimental data. The dynamical structure reveals propagating excitations whose dispersion at long wavelengths is compatible with the experimental sound velocity. Results are also reported for other transport coefficients. Additional simulations have also been performed so as to study the structure of the free liquid surface. The calculated longitudinal ionic density profile shows an oscillatory behaviour, whose properties are analyzed through macroscopic and microscopic methods. The intrinsic X-ray reflectivity of the surface is predicted to show a layering peak associated to the interlayer distance.

Realistic Modeling of Interaction of Quiet-Sun Magnetic Fields with the Chromosphere

NASA Technical Reports Server (NTRS)

Kitiashvili, I. N.; Kosovichev, A. G.; Mansour, N. N.; Wray, A. A.

2017-01-01

High­-resolution observations and 3D MHD simulations reveal intense interaction between the convection zone dynamics and the solar atmosphere on subarcsecond scales. To investigate processes of the dynamical coupling and energy exchange between the subsurface layers and the chromosphere we perform 3D radiative MHD modeling for a computational domain that includes the upper convection zone and the chromosphere, and investigate the structure and dynamics for different intensity of the photospheric magnetic flux. For comparison with observations, the simulation models have been used to calculate synthetic Stokes profiles of various spectral lines. The results show intense energy exchange through small­-scale magnetized vortex tubes rooted below the photosphere, which provide extra heating of the chromosphere, initiate shock waves, and small­-scale eruptions.

Effect of potential vorticity flux on the circulation in the South China Sea

NASA Astrophysics Data System (ADS)

Zhu, Yaohua; Sun, Junchuan; Wang, Yonggang; Wei, Zexun; Yang, Dezhou; Qu, Tangdong

2017-08-01

This study analyzes temperature and salinity products from the U.S. Navy Generalized Digital Environment Model. To avoid the fictitious assumption of no-motion reference level, a P-vector inverse method is employed to derive geostrophic velocity. Line integral of geostrophic velocity shows evidence for the existence of a sandwiched circulation in the South China Sea (SCS), i.e., cyclonic circulation in the subsurface and deep layers and anticyclonic in the intermediate layer. To reveal the factors responsible for the sandwiched circulation, we derive the potential vorticity equation based on a four-and-a-half-layer quasi-geostrophic model and apply theoretical potential vorticity constraint to density layers. The result shows that the sandwiched circulation is largely induced by planetary potential vorticity flux through lateral boundaries, mainly the Luzon Strait. This dynamical mechanism lies in the fact that the net potential vorticity inflow in the subsurface and deep layers leads to a positive layer-average vorticity in the SCS basin, yielding vortex stretching and a cyclonic basin-wide circulation. On the contrary, the net potential vorticity outflow in the intermediate layer induces a negative layer-average vorticity, generating an anticyclonic basin-wide circulation in the SCS. Furthermore, by illustrating different consequence from depth/density layers, we clarify that density layers are essential for applying theoretical potential vorticity constraint to the isolated deep SCS basin.

Examining the patterns and dynamics of species abundance distributions in succession of forest communities by model selection.

PubMed

Yin, Zuo-Yun; Zeng, Lu; Luo, Shao-Ming; Chen, Ping; He, Xiao; Guo, Wei; Li, Bailian

2018-01-01

There are a few common species and many rare species in a biological community or a multi-species collection in given space and time. This hollow distribution curve is called species abundance distribution (SAD). Few studies have examined the patterns and dynamics of SADs during the succession of forest communities by model selection. This study explored whether the communities in different successional stages followed different SAD models and whether there existed a best SAD model to reveal their intrinsic quantitative features of structure and dynamics in succession. The abundance (the number of individuals) of each vascular plant was surveyed by quadrat sampling method from the tree, shrub and herb layers in two typical communities (i.e., the evergreen needle- and broad-leaved mixed forest and the monsoon evergreen broad-leaved forest) in southern subtropical Dinghushan Biosphere Reserve, South China. The sites of two forest communities in different successional stages are both 1 ha in area. We collected seven widely representative SAD models with obviously different function forms and transformed them into the same octave (log2) scale. These models are simultaneously confronted with eight datasets from four layers of two communities, and their goodness-of-fits to the data were evaluated by the chi-squared test, the adjusted coefficient of determination and the information criteria. The results indicated that: (1) the logCauchy model followed all the datasets and was the best among seven models; (2) the fitness of each model to the data was not directly related to the successional stage of forest community; (3) according to the SAD curves predicted by the best model (i.e., the logCauchy), the proportion of rare species decreased but that of common ones increased in the upper layers with succession, while the reverse was true in the lower layers; and (4) the difference of the SADs increased between the upper and the lower layers with succession. We concluded that the logCauchy model had the widest applicability in describing the SADs, and could best mirror the SAD patterns and dynamics of communities and their different layers in the succession of forests. The logCauchy-modeled SADs can quantitatively guide the construction of ecological forests and the restoration of degraded vegetation.

Examining the patterns and dynamics of species abundance distributions in succession of forest communities by model selection

PubMed Central

Luo, Shao-Ming; Chen, Ping; He, Xiao; Guo, Wei; Li, Bailian

2018-01-01

There are a few common species and many rare species in a biological community or a multi-species collection in given space and time. This hollow distribution curve is called species abundance distribution (SAD). Few studies have examined the patterns and dynamics of SADs during the succession of forest communities by model selection. This study explored whether the communities in different successional stages followed different SAD models and whether there existed a best SAD model to reveal their intrinsic quantitative features of structure and dynamics in succession. The abundance (the number of individuals) of each vascular plant was surveyed by quadrat sampling method from the tree, shrub and herb layers in two typical communities (i.e., the evergreen needle- and broad-leaved mixed forest and the monsoon evergreen broad-leaved forest) in southern subtropical Dinghushan Biosphere Reserve, South China. The sites of two forest communities in different successional stages are both 1 ha in area. We collected seven widely representative SAD models with obviously different function forms and transformed them into the same octave (log2) scale. These models are simultaneously confronted with eight datasets from four layers of two communities, and their goodness-of-fits to the data were evaluated by the chi-squared test, the adjusted coefficient of determination and the information criteria. The results indicated that: (1) the logCauchy model followed all the datasets and was the best among seven models; (2) the fitness of each model to the data was not directly related to the successional stage of forest community; (3) according to the SAD curves predicted by the best model (i.e., the logCauchy), the proportion of rare species decreased but that of common ones increased in the upper layers with succession, while the reverse was true in the lower layers; and (4) the difference of the SADs increased between the upper and the lower layers with succession. We concluded that the logCauchy model had the widest applicability in describing the SADs, and could best mirror the SAD patterns and dynamics of communities and their different layers in the succession of forests. The logCauchy-modeled SADs can quantitatively guide the construction of ecological forests and the restoration of degraded vegetation. PMID:29746516

The effect of loading time on flexible pavement dynamic response: a finite element analysis

NASA Astrophysics Data System (ADS)

Yin, Hao; Solaimanian, Mansour; Kumar, Tanmay; Stoffels, Shelley

2007-12-01

Dynamic response of asphalt concrete (AC) pavements under moving load is a key component for accurate prediction of flexible pavement performance. The time and temperature dependency of AC materials calls for utilizing advanced material characterization and mechanistic theories, such as viscoelasticity and stress/strain analysis. In layered elastic analysis, as implemented in the new Mechanistic-Empirical Pavement Design Guide (MEPDG), the time dependency is accounted for by calculating the loading times at different AC layer depths. In this study, the time effect on pavement response was evaluated by means of the concept of “pseudo temperature.” With the pavement temperature measured from instrumented thermocouples, the time and temperature dependency of AC materials was integrated into one single factor, termed “effective temperature.” Via this effective temperature, pavement responses under a transient load were predicted through finite element analysis. In the finite element model, viscoelastic behavior of AC materials was characterized through relaxation moduli, while the layers with unbound granular material were assumed to be in an elastic mode. The analysis was conducted for two different AC mixtures in a simplified flexible pavement structure at two different seasons. Finite element analysis results reveal that the loading time has a more pronounced impact on pavement response in the summer for both asphalt types. The results indicate that for reasonable prediction of dynamic response in flexible pavements, the effect of the depth-dependent loading time on pavement temperature should be considered.

The cell engineering construction and function evaluation of multi-layer biochip dialyzer.

PubMed

Zhu, Wen; Li, Jiwei; Liu, Jianfeng

2013-10-01

We report the fabrication and function evaluation of multi-layer biochip dialyzer. Such device may potentially be applied to the wearable hemodialysis systems. By merging the advantages of microfluidic chip technology with cell engineering, both functions of glomerular filtration and renal tubule physiological activity are integrated in the same device. This device is designed into a laminated structure, in which the chip number of the superimposed layer can be arbitrarily tailored in accordance with the requirements of dialysis capacity. We propose that such structure can overcome the obstacles of large size and detached structure of the traditional hollow fiber dialyzer. To construct this multilayer biochips dialyzer, two types of dialyzer device with two-layered and six-layered chips are assembled, respectively. Cell adhesion and proliferation on three different dialysis membrane materials under static and dynamic conditions are investigated and compared. The filtration capability, re-absorption function and excrete ammonia function of the resulting multi-layer biochip dialyzer are evaluated. The results reveal that the constructed device can perform higher filtration efficiency and also play a role of renal tubule. This methodology may be useful in developing "scaling down" artificial kidneys that can act as wearable or even implantable hemodialysis systems.

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

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

Zhuang, Houlong L.; Kent, P. R. C.; Hennig, Richard G.

Comore » mputationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.« less

Strong anisotropy and magnetostriction in the two-dimensional Stoner ferromagnet Fe 3 GeTe 2

DOE PAGES

Zhuang, Houlong L.; Kent, P. R. C.; Hennig, Richard G.

2016-04-06

Comore » mputationally characterizing magnetic properies of novel two-dimensional (2D) materials serves as an important first step of exploring possible applications. Using density-functional theory, we show that single-layer Fe 3 GeTe 2 is a potential 2D material with sufficiently low formation energy to be synthesized by mechanical exfoliation from the bulk phase with a van der Waals layered structure. In addition, we calculated the phonon dispersion demonstrating that single-layer Fe 3 GeTe 2 is dynamically stable. Furthermore, we find that similar to the bulk phase, 2D Fe 3 GeTe 2 exhibits amagnetic moment that originates from a Stoner instability. In contrast to other 2D materials, we find that single-layer Fe 3 GeTe 2 exhibits a significant uniaxial magnetocrystalline anisotropy energy of 920μ eV per Fe atom originating from spin-orbit coupling. In conclusion, we show that applying biaxial tensile strains enhances the anisotropy energy, which reveals strong magnetostriction in single-layer Fe 3 GeTe 2 with a sizable magneostrictive coefficient. Our results indicate that single-layer Fe 3 GeTe 2 is potentially useful for magnetic storage applications.« less

Curvature Effect on the Capacitance of Electric Double Layers at Ionic Liquid/Onion-Like Carbon Interfaces

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

Feng, Guang; Jiang, Deen; Cummings, Peter T

Recent experiments have revealed that onion-like carbons (OLCs) offer high energy density and charging/discharging rates when used as the electrodes in supercapacitors. To understand the physical origin of this phenomenon, molecular dynamics simulations were performed for a room-temperature ionic liquid near idealized spherical OLCs with radii ranging from 0.356 to 1.223 nm. We find that the surface charge density increases almost linearly with the potential applied on electric double layers (EDLs) near OLCs. This leads to a nearly flat shape of the differential capacitance versus the potential, unlike the bell or camel shape observed on planar electrodes. Moreover, our simulationsmore » reveal that the capacitance of EDLs on OLCs increases with the curvature or as the OLC size decreases, in agreement with experimental observations. The curvature effect is explained by dominance of charge overscreening over a wide potential range and increased ion density per unit area of electrode surface as the OLC becomes smaller.« less

Response of the solar atmosphere to a simple flare burst: UV emission from the flare transition layer.

NASA Astrophysics Data System (ADS)

Shmeleva, O. P.

The flare transition layer exists as a relatively steady formation even during impulsive heating. It is maintained by a heat flow from the high-temperature plasma, where the major part of the electron beam energy is absorbed. The lifetime of this plasma is much greater than the impulsive heating time. Intensities of resonance UV lines are calculated using both the model of impulsive nonthermal heating by energetic electrons and the model of continuous thermal heating. The calculated line intensity is almost constant during a long time. The line Doppler shifts predicted by the former model match observations. This suggests that the model represents sufficiently well the actual dynamics of the flare plasma. The flare transition layer is a thin formation, its thickness being Δξ = 1021m-2. It is therefore described adequately within the p = const approximation though the picture of hydrodynamic response of the solar atmosphere to the impulsive heating by energy flows is rather complicated and nonsteady, of course. The intensities of the C IV λλ154.8, 155.1 nm and O VI λλ103.2, 103.8 nm lines are calculated within the scope of the model of continuous thermal heating, in which the conductive heating of the flare transition layer is balanced by radiative cooling. The line intensities are proportional to the pressure in the layer, which permits the pressure to be found from the observed line intensities. The analysis reveals that both heating models adequately represent the actual structure and dynamics of plasma in a flare. In the flare transition layer, the classical heat conduction always does work.

First-Principles Molecular Dynamics Study on the Electric-double layer Capacitance of Water-MXene interfaces

NASA Astrophysics Data System (ADS)

Ando, Yasunobu; Otani, Minoru

MXenes are a new, large family of layered materials synthesized from MAX phases by simple chemical treatments. Due to their enormous variations, MXenes have attracted great attention as promising candidates as anode materials for next-generation secondary batteries. Unfortunately, the specific capacitance of MXenes supercapacitors is lower than that of active-carbon ones. Theoretical investigation of the electric-double layer (EDL) at electrode interfaces is necessary to improve their capacitance. First-principles molecular dynamics (FPMD) simulation based on the density functional theory (DFT) is performed to estimate the EDL capacitance from a potential profile V(z) and a charge distribution q(z) induced by the ions at water-Ti2CTx (T =O, F) interfaces. Potential profiles V(z) of both Ti2CO2 and Ti2CF2 decrease about 1.0 eV steeply in a region of only 3 Å from a Ti layer, which is the same profile at the platinum interfaces. On the other hand, induced charge distribution q(z) depends on the species of surface termination. Induced electrons are introduced at Ti layers in the case of O surface termination. However, Ti2CF2 is not capable to store electrons at Ti layers because it is mono-valence anions. It indicates that effective surface-position of MXenes depends on the surface terminations. Our results are revealed that small induced charge leads the low EDL capacitance at MXene interfaces. This is because interface polarization due to strong interaction between water and Ti2CTx induces net charge. The surface net charge hinders the introduction of ion-induced charges.

Direct numerical simulation of supersonic turbulent boundary layer subjected to a curved compression ramp

NASA Astrophysics Data System (ADS)

Tong, Fulin; Li, Xinliang; Duan, Yanhui; Yu, Changping

2017-12-01

Numerical investigations on a supersonic turbulent boundary layer over a longitudinal curved compression ramp are conducted using direct numerical simulation for a free stream Mach number M∞ = 2.9 and Reynolds number Reθ = 2300. The total turning angle is 24°, and the concave curvature radius is 15 times the thickness of the incoming turbulent boundary layer. Under the selected conditions, the shock foot is transferred to a fan of the compression wave because of the weaker adverse pressure gradient. The time-averaged flow-field in the curved ramp is statistically attached where the instantaneous flow-field is close to the intermittent transitory detachment state. Studies on coherent vortex structures have shown that large-scale vortex packets are enhanced significantly when the concave curvature is aligned in the spanwise direction. Consistent with findings of previous experiments, the effect of the concave curvature on the logarithmic region of the mean velocity profiles is found to be small. The intensity of the turbulent fluctuations is amplified across the curved ramp. Based on the analysis of the Reynolds stress anisotropy tensor, the evolutions of the turbulence state in the inner and outer layers of the boundary layer are considerably different. The curvature effect on the transport mechanism of the turbulent kinetic energy is studied using the balance analysis of the contributing terms in the transport equation. Furthermore, the Görtler instability in the curved ramp is quantitatively analyzed using a stability criterion. The instantaneous streamwise vorticity confirms the existence of the Görtler-like structures. These structures are characterized by an unsteady motion. In addition, the dynamic mode decomposition analysis of the instantaneous flow field at the spanwise/wall-normal plane reveals that four dynamical relevant modes with performance loss of 16% provide an optimal low-order representation of the essential characteristics of the numerical data. The spatial structures of the dominated low-frequency dynamic modes are found to be similar to that of the Görtler-like vortices.

Generation of Subsurface Voids, Incubation Effect, and Formation of Nanoparticles in Short Pulse Laser Interactions with Bulk Metal Targets in Liquid: Molecular Dynamics Study

PubMed Central

2017-01-01

The ability of short pulse laser ablation in liquids to produce clean colloidal nanoparticles and unusual surface morphology has been employed in a broad range of practical applications. In this paper, we report the results of large-scale molecular dynamics simulations aimed at revealing the key processes that control the surface morphology and nanoparticle size distributions by pulsed laser ablation in liquids. The simulations of bulk Ag targets irradiated in water are performed with an advanced computational model combining a coarse-grained representation of liquid environment and an atomistic description of laser interaction with metal targets. For the irradiation conditions that correspond to the spallation regime in vacuum, the simulations predict that the water environment can prevent the complete separation of the spalled layer from the target, leading to the formation of large subsurface voids stabilized by rapid cooling and solidification. The subsequent irradiation of the laser-modified surface is found to result in a more efficient ablation and nanoparticle generation, thus suggesting the possibility of the incubation effect in multipulse laser ablation in liquids. The simulations performed at higher laser fluences that correspond to the phase explosion regime in vacuum reveal the accumulation of the ablation plume at the interface with the water environment and the formation of a hot metal layer. The water in contact with the metal layer is brought to the supercritical state and provides an environment suitable for nucleation and growth of small metal nanoparticles from metal atoms emitted from the hot metal layer. The metal layer itself has limited stability and can readily disintegrate into large (tens of nanometers) nanoparticles. The layer disintegration is facilitated by the Rayleigh–Taylor instability of the interface between the higher density metal layer decelerated by the pressure from the lighter supercritical water. The nanoparticles emerging from the layer disintegration are rapidly cooled and solidified due to the interaction with water environment, with a cooling rate of ∼2 × 1012 K/s observed in the simulations. The computational prediction of two distinct mechanisms of nanoparticle formation yielding nanoparticles with different characteristic sizes provides a plausible explanation for the experimental observations of bimodal nanoparticle size distributions in laser ablation in liquids. The ultrahigh cooling and solidification rates suggest the possibility for generation of nanoparticles featuring metastable phases and highly nonequilibrium structures. PMID:28798858

Atmospheric Boundary Layer Dynamics Near Ross Island and Over West Antarctica.

NASA Astrophysics Data System (ADS)

Liu, Zhong

The atmospheric boundary layer dynamics near Ross Island and over West Antarctica has been investigated. The study consists of two parts. The first part involved the use of data from ground-based remote sensing equipment (sodar and RASS), radiosondes, pilot balloons, automatic weather stations, and NOAA AVHRR satellite imagery. The second part involved the use of a high resolution boundary layer model coupled with a three-dimensional primitive equation mesoscale model to simulate the observed atmospheric boundary layer winds and temperatures. Turbulence parameters were simulated with an E-epsilon turbulence model driven by observed winds and temperatures. The observational analysis, for the first time, revealed that the airflow passing through the Ross Island area is supplied mainly by enhanced katabatic drainage from Byrd Glacier and secondarily drainage from Mulock and Skelton glaciers. The observed diurnal variation of the blocking effect near Ross Island is dominated by the changes in the upstream katabatic airflow. The synthesized analysis over West Antarctica found that the Siple Coast katabatic wind confluence zone consists of two superimposed katabatic airflows: a relatively warm and more buoyant katabatic flow from West Antarctica overlies a colder and less buoyant katabatic airflow from East Antarctica. The force balance analysis revealed that, inside the West Antarctic katabatic wind zone, the pressure gradient force associated with the blocked airflow against the Transantarctic Mountains dominates; inside the East Antarctic katabatic wind zone, the downslope buoyancy force due to the cold air overlying the sloping terrain is dominant. The analysis also shows that these forces are in geostrophic balance with the Coriolis force. An E-epsilon turbulence closure model is used to simulate the diurnal variation of sodar backscatter. The results show that the model is capable of qualitatively capturing the main features of the observed sodar backscatter. To improve the representation of the atmospheric boundary layer, a second-order turbulence closure model coupled with the input from a mesoscale model was applied to the springtime Siple Coast katabatic wind confluence zone. The simulation was able to capture the main features of the confluence zone, which were not well resolved by the mesoscale model.

Small-scale sediment transport patterns and bedform morphodynamics: New insights from high-resolution multibeam bathymetry

USGS Publications Warehouse

Barnard, P.L.; Erikson, L.H.; Kvitek, R.G.

2011-01-01

New multibeam echosounder and processing technologies yield sub-meter-scale bathymetric resolution, revealing striking details of bedform morphology that are shaped by complex boundary-layer flow dynamics at a range of spatial and temporal scales. An inertially aided post processed kinematic (IAPPK) technique generates a smoothed best estimate trajectory (SBET) solution to tie the vessel motion-related effects of each sounding directly to the ellipsoid, significantly reducing artifacts commonly found in multibeam data, increasing point density, and sharpening seafloor features. The new technique was applied to a large bedform field in 20-30 m water depths in central San Francisco Bay, California (USA), revealing bedforms that suggest boundary-layer flow deflection by the crests where 12-m-wavelength, 0.2-m-amplitude bedforms are superimposed on 60-m-wavelength, 1-m-amplitude bedforms, with crests that often were strongly oblique (approaching 90??) to the larger features on the lee side, and near-parallel on the stoss side. During one survey in April 2008, superimposed bedform crests were continuous between the crests of the larger features, indicating that flow detachment in the lee of the larger bedforms is not always a dominant process. Assessment of bedform crest peakedness, asymmetry, and small-scale bedform evolution between surveys indicates the impact of different flow regimes on the entire bedform field. This paper presents unique fine-scale imagery of compound and superimposed bedforms, which is used to (1) assess the physical forcing and evolution of a bedform field in San Francisco Bay, and (2) in conjunction with numerical modeling, gain a better fundamental understanding of boundary-layer flow dynamics that result in the observed superimposed bedform orientation. ?? 2011 Springer-Verlag (outside the USA).

Small-scale sediment transport patterns and bedform morphodynamics: New insights from high resolution multibeam bathymetry

USGS Publications Warehouse

Barnard, Patrick L.; Erikson, Li H.; Rubin, David M.; Kvitek, Rikk G.

2011-01-01

New multibeam echosounder and processing technologies yield sub-meter-scale bathymetric resolution, revealing striking details of bedform morphology that are shaped by complex boundary-layer flow dynamics at a range of spatial and temporal scales. An inertially aided post processed kinematic (IAPPK) technique generates a smoothed best estimate trajectory (SBET) solution to tie the vessel motion-related effects of each sounding directly to the ellipsoid, significantly reducing artifacts commonly found in multibeam data, increasing point density, and sharpening seafloor features. The new technique was applied to a large bedform field in 20–30 m water depths in central San Francisco Bay, California (USA), revealing bedforms that suggest boundary-layer flow deflection by the crests where 12-m-wavelength, 0.2-m-amplitude bedforms are superimposed on 60-m-wavelength, 1-m-amplitude bedforms, with crests that often were strongly oblique (approaching 90°) to the larger features on the lee side, and near-parallel on the stoss side. During one survey in April 2008, superimposed bedform crests were continuous between the crests of the larger features, indicating that flow detachment in the lee of the larger bedforms is not always a dominant process. Assessment of bedform crest peakedness, asymmetry, and small-scale bedform evolution between surveys indicates the impact of different flow regimes on the entire bedform field. This paper presents unique fine-scale imagery of compound and superimposed bedforms, which is used to (1) assess the physical forcing and evolution of a bedform field in San Francisco Bay, and (2) in conjunction with numerical modeling, gain a better fundamental understanding of boundary-layer flow dynamics that result in the observed superimposed bedform orientation.

Constraints on mechanisms for the growth of gully alcoves in Gasa crater, Mars, from two-dimensional stability assessments of rock slopes

USGS Publications Warehouse

Okubo, C.H.; Tornabene, L.L.; Lanza, N.L.

2011-01-01

The value of slope stability analyses for gaining insight into the geologic conditions that would facilitate the growth of gully alcoves on Mars is demonstrated in Gasa crater. Two-dimensional limit equilibrium methods are used in conjunction with high-resolution topography derived from stereo High Resolution Imaging Science Experiment (HiRISE) imagery. These analyses reveal three conditions that may produce observed alcove morphologies through slope failure: (1) a ca >10m thick surface layer that is either saturated with H2O ground ice or contains no groundwater/ice at all, above a zone of melting H2O ice or groundwater and under dynamic loading (i.e., seismicity), (2) a 1-10m thick surface layer that is saturated with either melting H2O ice or groundwater and under dynamic loading, or (3) a >100m thick surface layer that is saturated with either melting H2O ice or groundwater and under static loading. This finding of three plausible scenarios for slope failure demonstrates how the triggering mechanisms and characteristics of future alcove growth would be affected by prevailing environmental conditions. HiRISE images also reveal normal faults and other fractures tangential to the crowns of some gully alcoves that are interpreted to be the result of slope instability, which may facilitate future slope movement. Stability analyses show that the most failure-prone slopes in this area are found in alcoves that are adjacent to crown fractures. Accordingly, crown fractures appear to be a useful indicator of those alcoves that should be monitored for future landslide activity. ?? 2010.

Molecular dynamics simulations of pyrrolidinium and imidazolium ionic liquids at graphene interfaces.

PubMed

Begić, Srđan; Jónsson, Erlendur; Chen, Fangfang; Forsyth, Maria

2017-11-15

Understanding the electrode-electrolyte interface is essential in the battery research as the ion transport and ion structures at the interface most likely affect the performance of a battery. Here we investigate interfacial structures of three ionic liquids: 1-ethyl-3-methylimidazolium dicyanamide ([C 2 mim][dca]), 1-butyl-3-methylimidazolium dicyanamide ([C 4 mim][dca]) and N-butyl-N-methylpyrrolidinium dicyanamide ([C 4 myr][dca]) at a charged and uncharged graphene interface using molecular dynamics simulations. We find that these ionic liquids (ILs) behave differently both in the bulk phase and near a graphene interface and we find that this difference is apparent in all types of analyses performed here. First, a partial density analysis in the direction perpendicular to the surface of the electrodes, which, in the cases near a negatively charged graphene, reveals that the pyrrolidinium system is generally more layered than the imidazolium systems. Second, a 2D topographic structure analysis of the IL species in the inner layer near a negatively charged graphene surface, which reveals that the pyrrolidinium system exhibits a quasi-hexagonal surface configuration of the cations, while the imidazolium systems show linearly arranged groups of cations. Third, a 3D orientation-preference analysis of cation rings near the negative graphene electrode, which shows that the pyrrolidinium rings prefer to lie parallel to the electrode surface while the imidazolium rings prefer to stand on the electrode surface at high tilt angles. Extending the imidazolium alkyl chain was found to reduce the number of imidazoliums that can link up into linearly arranged groups in the inner layer 2D structures. Our results support earlier experimental findings and indicate that the interfacial nanostructures may have a significant influence on the electrochemical performance of IL-based batteries.

Turbulent flow over craters on Mars: Vorticity dynamics reveal aeolian excavation mechanism.

PubMed

Anderson, William; Day, Mackenzie

2017-10-01

Impact craters are scattered across Mars. These craters exhibit geometric self-similarity over a spectrum of diameters, ranging from tens to thousands of kilometers. The late Noachian-early Hesperian boundary marks a dramatic shift in the role of mid-latitude craters, from depocenter sedimentary basins to aeolian source areas. At present day, many craters contain prominent layered sedimentary mounds with maximum elevations comparable to the rim height. The mounds are remnants of Noachian deposition and are surrounded by a radial moat. Large-eddy simulation has been used to model turbulent flows over synthetic craterlike geometries. Geometric attributes of the craters and the aloft flow have been carefully matched to resemble ambient conditions in the atmospheric boundary layer of Mars. Vorticity dynamics analysis within the crater basin reveals the presence of counterrotating helical vortices, verifying the efficacy of deflationary models put forth recently by Bennett and Bell [K. Bennett and J. Bell, Icarus 264, 331 (2016)]ICRSA50019-103510.1016/j.icarus.2015.09.041 and Day et al. [M. Day et al., Geophys. Res. Lett. 43, 2473 (2016)]GPRLAJ0094-827610.1002/2016GL068011. We show how these helical counterrotating vortices spiral around the outer rim, gradually deflating the moat and carving the mound; excavation occurs faster on the upwind side, explaining the radial eccentricity of the mounds relative to the surrounding crater basin.

Turbulent flow over craters on Mars: Vorticity dynamics reveal aeolian excavation mechanism

NASA Astrophysics Data System (ADS)

Anderson, William; Day, Mackenzie

2017-10-01

Impact craters are scattered across Mars. These craters exhibit geometric self-similarity over a spectrum of diameters, ranging from tens to thousands of kilometers. The late Noachian-early Hesperian boundary marks a dramatic shift in the role of mid-latitude craters, from depocenter sedimentary basins to aeolian source areas. At present day, many craters contain prominent layered sedimentary mounds with maximum elevations comparable to the rim height. The mounds are remnants of Noachian deposition and are surrounded by a radial moat. Large-eddy simulation has been used to model turbulent flows over synthetic craterlike geometries. Geometric attributes of the craters and the aloft flow have been carefully matched to resemble ambient conditions in the atmospheric boundary layer of Mars. Vorticity dynamics analysis within the crater basin reveals the presence of counterrotating helical vortices, verifying the efficacy of deflationary models put forth recently by Bennett and Bell [K. Bennett and J. Bell, Icarus 264, 331 (2016)], 10.1016/j.icarus.2015.09.041 and Day et al. [M. Day et al., Geophys. Res. Lett. 43, 2473 (2016)], 10.1002/2016GL068011. We show how these helical counterrotating vortices spiral around the outer rim, gradually deflating the moat and carving the mound; excavation occurs faster on the upwind side, explaining the radial eccentricity of the mounds relative to the surrounding crater basin.

Fast Response of the Tropics to an Abrupt Loss of Arctic Sea Ice via Ocean Dynamics

NASA Astrophysics Data System (ADS)

Wang, Kun; Deser, Clara; Sun, Lantao; Tomas, Robert A.

2018-05-01

The role of ocean dynamics in the transient adjustment of the coupled climate system to an abrupt loss of Arctic sea ice is investigated using experiments with Community Climate System Model version 4 in two configurations: a thermodynamic slab mixed layer ocean and a full-depth ocean that includes both dynamics and thermodynamics. Ocean dynamics produce a distinct sea surface temperature warming maximum in the eastern equatorial Pacific, accompanied by an equatorward intensification of the Intertropical Convergence Zone and Hadley Circulation. These tropical responses are established within 25 years of ice loss and contrast markedly with the quasi-steady antisymmetric coupled response in the slab-ocean configuration. A heat budget analysis reveals the importance of anomalous vertical advection tied to a monotonic temperature increase below 200 m for the equatorial sea surface temperature warming maximum in the fully coupled model. Ocean dynamics also rapidly modify the midlatitude atmospheric response to sea ice loss.

Nonadiabatic ab initio molecular dynamics with PME-ONIOM scheme of photoisomerization reaction between 1,3-cyclohexadiene and 1,3,5-cis-hexatriene in solution phase

NASA Astrophysics Data System (ADS)

Ohta, Ayumi; Kobayashi, Osamu; Danielache, Sebastian O.; Nanbu, Shinkoh

2017-03-01

The ultra-fast photoisomerization reactions between 1,3-cyclohexadiene (CHD) and 1,3,5-cis-hexatriene (HT) in both hexane and ethanol solvents were revealed by nonadiabatic ab initio molecular dynamics (AI-MD) with a particle-mesh Ewald summation method and our Own N-layered Integrated molecular Orbital and molecular Mechanics model (PME-ONIOM) scheme. Zhu-Nakamura version trajectory surface hopping method (ZN-TSH) was employed to treat the ultra-fast nonadiabatic decaying process. The results for hexane and ethanol simulations reasonably agree with experimental data. The high nonpolar-nonpolar affinity between CHD and the solvent was observed in hexane solvent, which definitely affected the excited state lifetimes, the product branching ratio of CHD:HT, and solute (CHD) dynamics. In ethanol solvent, however, the CHD solute was isomerized in the solvent cage caused by the first solvation shell. The photochemical dynamics in ethanol solvent results in the similar property to the process appeared in vacuo (isolated CHD dynamics).

Asymmetrically interacting spreading dynamics on complex layered networks.

PubMed

Wang, Wei; Tang, Ming; Yang, Hui; Younghae Do; Lai, Ying-Cheng; Lee, GyuWon

2014-05-29

The spread of disease through a physical-contact network and the spread of information about the disease on a communication network are two intimately related dynamical processes. We investigate the asymmetrical interplay between the two types of spreading dynamics, each occurring on its own layer, by focusing on the two fundamental quantities underlying any spreading process: epidemic threshold and the final infection ratio. We find that an epidemic outbreak on the contact layer can induce an outbreak on the communication layer, and information spreading can effectively raise the epidemic threshold. When structural correlation exists between the two layers, the information threshold remains unchanged but the epidemic threshold can be enhanced, making the contact layer more resilient to epidemic outbreak. We develop a physical theory to understand the intricate interplay between the two types of spreading dynamics.

Asymmetrically interacting spreading dynamics on complex layered networks

PubMed Central

Wang, Wei; Tang, Ming; Yang, Hui; Younghae Do; Lai, Ying-Cheng; Lee, GyuWon

2014-01-01

The spread of disease through a physical-contact network and the spread of information about the disease on a communication network are two intimately related dynamical processes. We investigate the asymmetrical interplay between the two types of spreading dynamics, each occurring on its own layer, by focusing on the two fundamental quantities underlying any spreading process: epidemic threshold and the final infection ratio. We find that an epidemic outbreak on the contact layer can induce an outbreak on the communication layer, and information spreading can effectively raise the epidemic threshold. When structural correlation exists between the two layers, the information threshold remains unchanged but the epidemic threshold can be enhanced, making the contact layer more resilient to epidemic outbreak. We develop a physical theory to understand the intricate interplay between the two types of spreading dynamics. PMID:24872257

Multiscale Relaxation Dynamics in Ultrathin Metallic Glass-Forming Films

NASA Astrophysics Data System (ADS)

Bi, Q. L.; Lü, Y. J.; Wang, W. H.

2018-04-01

The density layering phenomenon originating from a free surface gives rise to the layerlike dynamics and stress heterogeneity in ultrathin Cu-Zr glassy films, which facilitates the occurrence of multistep relaxations in the timescale of computer simulations. Taking advantage of this condition, we trace the relaxation decoupling and evolution with temperature simply via the intermediate scattering function. We show that the β relaxation hierarchically follows fast and slow modes in films, and there is a β -relaxation transition as the film is cooled close to the glass transition. We provide the direct observation of particle motions responsible for the β relaxation and reveal the dominant mechanism varying from the thermal activated to the cooperative jumps across the transition.

Structure and dynamics of shear bands in amorphous–crystalline nanolaminates

DOE PAGES

Guo, Wei; Gan, Bin; Molina-Aldareguia, Jon M.; ...

2015-08-03

In this paper, the velocities of shear bands in amorphous CuZr/crystalline Cu nanolaminates were quantified as a function of strain rate and crystalline volume fraction. A rate-dependent transition in flow response was found in a 100 nm CuZr/10 nm Cu nanolaminates. When increasing the Cu layer thickness from 10 nm to 100 nm, the instantaneous velocity of the shear band in these nanolaminates decreases from 11.2 μm/s to <~500 nm/s. Finally, atom probe tomography and transmission election microcopy observation revealed that in post-deformed pillars both grain rotation in the crystalline portion and non-diffusive crystallization in the amorphous layer affect themore » viscosity of shear bands.« less

Ordered and layered structure of liquid nitromethane within a graphene bilayer: toward stabilization of energetic materials through nanoscale confinement.

PubMed

Liu, Yingzhe; Yu, Tao; Lai, Weipeng; Kang, Ying; Ge, Zhongxue

2015-03-01

The structural characteristics involving thermal stabilities of liquid nitromethane (NM)—one of the simplest energetic materials—confined within a graphene (GRA) bilayer were investigated by means of all-atom molecular dynamics simulations and density functional theory calculations. The results show that ordered and layered structures are formed at the confinement of the GRA bilayer induced by the van der Waals attractions of NM with GRA and the dipole-dipole interactions of NM, which is strongly dependent on the confinement size, i.e., the GRA bilayer distance. These unique intermolecular arrangements and preferred orientations of confined NM lead to higher stabilities than bulk NM revealed by bond dissociation energy calculations.

Scanning tunneling spectroscopy study of the proximity effect in a disordered two-dimensional metal.

PubMed

Serrier-Garcia, L; Cuevas, J C; Cren, T; Brun, C; Cherkez, V; Debontridder, F; Fokin, D; Bergeret, F S; Roditchev, D

2013-04-12

The proximity effect between a superconductor and a highly diffusive two-dimensional metal is revealed in a scanning tunneling spectroscopy experiment. The in situ elaborated samples consist of superconducting single crystalline Pb islands interconnected by a nonsuperconducting atomically thin disordered Pb wetting layer. In the vicinity of each superconducting island the wetting layer acquires specific tunneling characteristics which reflect the interplay between the proximity-induced superconductivity and the inherent electron correlations of this ultimate diffusive two-dimensional metal. The observed spatial evolution of the tunneling spectra is accounted for theoretically by combining the Usadel equations with the theory of dynamical Coulomb blockade; the relevant length and energy scales are extracted and found in agreement with available experimental data.

Insights into Evaporative Droplet Dynamics in the High-Wind Atmospheric Boundary Layer

NASA Astrophysics Data System (ADS)

Peng, T.; Richter, D. H.

2017-12-01

Sea-spray droplets ejected into the air-sea boundary layer take part in a series of complex transport processes. To model the air-sea exchange of heat and moisture under high-wind conditions, it is important yet challenging to understand influences of evaporative droplets in the atmospheric boundary layer. We implement a high-resolution Eulerian-Lagrangian algorithm with droplets laden in a turbulent open-channel flow to reveal the dynamic and thermodynamic characteristics of evaporating sea spray. Our past numerical simulations demonstrated an overall weak modification to the total heat flux by evaporative droplets. This is due to redistributed sensible and latent heat fluxes from relatively small droplets that respond rapidly to the ambient environment or the limited residence time of larger droplets. However, droplets with a slower thermodynamic response to the environment indicate a potential to enhance the total heat flux, but this is dependent on concentration and suspension time. In the current study, we focus on correlations between the residence time and thermodynamic statistics of droplets in order to better understand how best to parameterize in large-scale models. In addition, we focus in detail on the different scales of turbulence to further characterize the range of influence that evaporating droplets have on the surrounding fluid.

Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

DOE PAGES

Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; ...

2016-01-20

In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less

Functional characterization of the extraclassical receptive field in macaque V1: contrast, orientation, and temporal dynamics.

PubMed

Henry, Christopher A; Joshi, Siddhartha; Xing, Dajun; Shapley, Robert M; Hawken, Michael J

2013-04-03

Neurons in primary visual cortex, V1, very often have extraclassical receptive fields (eCRFs). The eCRF is defined as the region of visual space where stimuli cannot elicit a spiking response but can modulate the response of a stimulus in the classical receptive field (CRF). We investigated the dependence of the eCRF on stimulus contrast and orientation in macaque V1 cells for which the laminar location was determined. The eCRF was more sensitive to contrast than the CRF across the whole population of V1 cells with the greatest contrast differential in layer 2/3. We confirmed that many V1 cells experience stronger suppression for collinear than orthogonal stimuli in the eCRF. Laminar analysis revealed that the predominant bias for collinear suppression was found in layers 2/3 and 4b. The laminar pattern of contrast and orientation dependence suggests that eCRF suppression may derive from different neural circuits in different layers, and may be comprised of two distinct components: orientation-tuned and untuned suppression. On average tuned suppression was delayed by ∼25 ms compared with the onset of untuned suppression. Therefore, response modulation by the eCRF develops dynamically and rapidly in time.

Quantitative, depth-resolved determination of particle motion using multi-exposure, spatial frequency domain laser speckle imaging.

PubMed

Rice, Tyler B; Kwan, Elliott; Hayakawa, Carole K; Durkin, Anthony J; Choi, Bernard; Tromberg, Bruce J

2013-01-01

Laser Speckle Imaging (LSI) is a simple, noninvasive technique for rapid imaging of particle motion in scattering media such as biological tissue. LSI is generally used to derive a qualitative index of relative blood flow due to unknown impact from several variables that affect speckle contrast. These variables may include optical absorption and scattering coefficients, multi-layer dynamics including static, non-ergodic regions, and systematic effects such as laser coherence length. In order to account for these effects and move toward quantitative, depth-resolved LSI, we have developed a method that combines Monte Carlo modeling, multi-exposure speckle imaging (MESI), spatial frequency domain imaging (SFDI), and careful instrument calibration. Monte Carlo models were used to generate total and layer-specific fractional momentum transfer distributions. This information was used to predict speckle contrast as a function of exposure time, spatial frequency, layer thickness, and layer dynamics. To verify with experimental data, controlled phantom experiments with characteristic tissue optical properties were performed using a structured light speckle imaging system. Three main geometries were explored: 1) diffusive dynamic layer beneath a static layer, 2) static layer beneath a diffuse dynamic layer, and 3) directed flow (tube) submerged in a dynamic scattering layer. Data fits were performed using the Monte Carlo model, which accurately reconstructed the type of particle flow (diffusive or directed) in each layer, the layer thickness, and absolute flow speeds to within 15% or better.

Interaction of Atmospheric Turbulence with Blade Boundary Layer Dynamics on a 5MW Wind Turbine using Blade-Boundary-Layer-Resolved CFD with hybrid URANS-LES.

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

Vijayakumar, Ganesh; Brasseur, James; Lavely, Adam

We describe the response of the NREL 5 MW wind turbine blade boundary layer to the passage of atmospheric turbulence using blade-boundary-layer-resolved computational fluid dynamics with hybrid URANS-LES modeling.

Chromospheric umbral dynamics

NASA Astrophysics Data System (ADS)

Reardon, Kevin P.; Vecchio, Antonio; Cauzzi, Gianna; Tritschler, Alexandra

2014-06-01

The chromosphere above sunspots is seen to undergo dynamical driving from perturbations from lower layers of the atmosphere. Umbral flashes have long been understood to be the result of acoustic shocks due to the drop in density in the sunspot chromosphere. Detailed observations of the umbral waves and flashes may help reveal the nature of the sunspot structure in the upper atmosphere. We report on high-resolution observations of umbral dynamics observed in the Ca II 8542 line by IBIS at the Dunn Solar Telescope. We use a principal component decomposition technique (POD) to isolate different components of the observed oscillations. We are able to explore temporal and spatial evolution of the umbral flashes. We find significant variation in the nature of the flashes over the sunspot, indicating that the chromospheric magnetic topology can strongly modify the nature of the umbral intensity and velocity oscillations.

Hetero-diffusion of Au epitaxy on stepped Ag(110) surface: Study of the jump rate and diffusion coefficient

NASA Astrophysics Data System (ADS)

Benlattar, M.; El koraychy, E.; Kotri, A.; Mazroui, M.

2017-12-01

We have used molecular dynamics simulations combined with an interatomic potential derived from the embedded atom method, to investigate the hetero-diffusion of Au adatom near a stepped Ag(110) surface with the height of one monoatomic layer. The activation energies for different diffusion processes, which occur on the terrace and near the step edge, are calculated both by molecular statics and molecular dynamics simulations. Static energies are found by the drag method, whereas the dynamic barriers are computed at high temperature from the Arrhenius plots. Our numerical results reveal that the jump process requires very high activation energy compared to the exchange process either on the terrace or near the step edge. In this work, other processes, such as upward and downward diffusion at step edges, have also been discussed.

The effects of mixed layer dynamics on ice growth in the central Arctic

NASA Astrophysics Data System (ADS)

Kitchen, Bruce R.

1992-09-01

The thermodynamic model of Thorndike (1992) is coupled to a one dimensional, two layer ocean entrainment model to study the effect of mixed layer dynamics on ice growth and the variation in the ocean heat flux into the ice due to mixed layer entrainment. Model simulations show the existence of a negative feedback between the ice growth and the mixed layer entrainment, and that the underlying ocean salinity has a greater effect on the ocean beat flux than does variations in the underlying ocean temperature. Model simulations for a variety of surface forcings and initial conditions demonstrate the need to include mixed layer dynamics for realistic ice prediction in the arctic.

Single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides as promising photocatalysts.

PubMed

Bai, Yujie; Luo, Gaixia; Meng, Lijuan; Zhang, Qinfang; Xu, Ning; Zhang, Haiyang; Wu, Xiuqiang; Kong, Fanjie; Wang, Baolin

2018-05-30

Searching for two-dimensional semiconductor materials that are suitable for visible-light photocatalytic water splitting provides a sustainable solution to deal with the future energy crisis and environmental problems. Herein, based on first-principles calculations, single-layer ZnMN2 (M = Si, Ge, Sn) zinc nitrides are proposed as efficient photocatalysts for water splitting. Stability analyses show that the single-layer ZnMN2 zinc nitrides exhibit energetic and dynamical stability. The electronic properties reveal that all of the single-layer ZnMN2 zinc nitrides are semiconductors. Interestingly, single-layer ZnSnN2 is a direct band gap semiconductor with a desirable band gap (1.74 eV), and the optical adsorption spectrum confirms its optical absorption in the visible light region. The hydrogen evolution reaction (HER) calculations show that the catalytic activity for single-layer ZnMN2 (M = Ge, Sn) is better than that of single-layer ZnSiN2. Furthermore, the band gaps and band edge positions for the single-layer ZnMN2 zinc nitrides can be effectively tuned by biaxial strain. Especially, single-layer ZnGeN2 can be effectively tuned to match better with the redox potentials of water and enhance the light absorption in the visible light region at a tensile strain of 5%, which is confirmed by the corresponding optical absorption spectrum. Our results provide guidance for experimental synthesis efforts and future searches for single-layer materials suitable for photocatalytic water splitting.

Heat transport and coupling modes in Rayleigh-Bénard convection occurring between two layers with largely different viscosities

NASA Astrophysics Data System (ADS)

Yoshida, Masaki; Iwamori, Hikaru; Hamano, Yozo; Suetsugu, Daisuke

2017-09-01

A high-resolution numerical simulation model in two-dimensional cylindrical geometry was used to discuss the heat transport and coupling modes in two-layer Rayleigh-Bénard convection with a high Rayleigh number (up to the order of 109), an infinite Prandtl number, and large viscosity contrasts (up to 10-3) between an outer, highly viscous layer (HVL) and an inner, low-viscosity layer (LVL). In addition to mechanical and thermal interaction across the HVL-LVL interface, which has been investigated by Yoshida and Hamano ["Numerical studies on the dynamics of two-layer Rayleigh-Bénard convection with an infinite Prandtl number and large viscosity contrasts," Phys. Fluids 28(11), 116601 (2016)], the spatiotemporal analysis in this study provides new insights into (1) heat transport over the entire system between the bottom of the LVL and the top of the HVL, in particular that associated with thermal plumes, and (2) the convection regime and coupling mode of the two layers, including the transition mechanism between the mechanical coupling mode at relatively low viscosity contrasts and the thermal coupling mode at higher viscosity contrasts. Although flow in the LVL is highly time-dependent, it shares the spatially opposite/same flow pattern synchronized to the nearly stationary upwelling and downwelling plumes in the HVL, corresponding to the mechanical/thermal coupling mode. In the transitional regime between the mechanical and thermal coupling modes, the LVL exhibits periodical switching between the two phases (i.e., the mechanical and thermal coupling phases) with a stagnant period. A detailed inspection revealed that the switching was initiated by the instability in the uppermost boundary layer of the LVL. These results suggest that convection in the highly viscous mantle of the Earth controls that of the extremely low-viscosity outer core in a top-down manner under the thermal coupling mode, which may support a scenario of top-down hemispherical dynamics proposed by the recent geochemical study.

Integrated studies into characteristics of physical fields using discontinuous geomedium models under external loading

NASA Astrophysics Data System (ADS)

Usoltseva Vostrikov, OM, VI; Tsoy, PA; Semenov, VN

2018-03-01

The article presents the laboratory study of deformation in artificial layered geomaterial samples down to failure with the simultaneous measurement of stresses, strains, micro-strains and signals of microseismic emission. The analysis of the synchronized experimental data made it possible to determine features of change in the microseismicity parameters and micro-strain fields in the samples depending on the deformation stage, and also to reveal the dynamics of evolution of microfailures and the main fracture zone.

Boundary layer evolution over the central Himalayas from radio wind profiler and model simulations

NASA Astrophysics Data System (ADS)

Singh, Narendra; Solanki, Raman; Ojha, Narendra; Janssen, Ruud H. H.; Pozzer, Andrea; Dhaka, Surendra K.

2016-08-01

We investigate the time evolution of the Local Boundary Layer (LBL) for the first time over a mountain ridge at Nainital (79.5° E, 29.4° N, 1958 m a.m.s.l.) in the central Himalayan region, using a radar wind profiler (RWP) during November 2011 to March 2012, as a part of the Ganges Valley Aerosol Experiment (GVAX). We restrict our analysis to clear-sunny days, resulting in a total of 78 days of observations. The standard criterion of the peak in the signal-to-noise ratio (S / N) profile was found to be inadequate in the characterization of mixed layer (ML) top at this site. Therefore, we implemented a criterion of S / N > 6 dB for the characterization of the ML and the resulting estimations are shown to be in agreement with radiosonde measurements over this site. The daytime average (05:00-10:00 UTC) observed boundary layer height ranges from 440 ± 197 m in November (late autumn) to 766 ± 317 m above ground level (a.g.l.) in March (early spring). The observations revealed a pronounced impact of mountain topography on the LBL dynamics during March, when strong winds (> 5.6 m s-1) lead to LBL heights of 650 m during nighttime. The measurements are further utilized to evaluate simulations from the Weather Research and Forecasting (WRF) model. WRF simulations captured the day-to-day variations up to an extent (r2 = 0.5), as well as the mean diurnal variations (within 1σ variability). The mean biases in the daytime average LBL height vary from -7 % (January) to +30 % (February) between model and observations, except during March (+76 %). Sensitivity simulations using a mixed layer model (MXL/MESSy) indicated that the springtime overestimation of LBL would lead to a minor uncertainty in simulated surface ozone concentrations. However, it would lead to a significant overestimation of the dilution of black carbon aerosols at this site. Our work fills a gap in observations of local boundary layer over this complex terrain in the Himalayas, and highlights the need for year-long simultaneous measurements of boundary layer dynamics and air quality to better understand the role of lower tropospheric dynamics in pollution transport.

Lattice dynamics and thermal transport in multiferroic CuCrO2

NASA Astrophysics Data System (ADS)

Bansal, Dipanshu; Niedziela, Jennifer L.; May, Andrew F.; Said, Ayman; Ehlers, Georg; Abernathy, Douglas L.; Huq, Ashfia; Kirkham, Melanie; Zhou, Haidong; Delaire, Olivier

2017-02-01

Inelastic neutron and x-ray scattering measurements of phonons and spin waves were performed in the delafossite compound CuCrO2 over a wide range of temperature, and complemented with first-principles lattice dynamics simulations. The phonon dispersions and density of states are well reproduced by our density functional calculations, and reveal a strong anisotropy of Cu vibrations, which exhibit low-frequency modes of large amplitude parallel to the basal plane of the layered delafossite structure. The low frequency in-plane modes also show a systematic temperature dependence of neutron and x-ray scattering intensities. In addition, we find that spin fluctuations persist above 300 K, far above the Néel temperature for long-range antiferromagnetic order, TN≃24 K . Our modeling of the thermal conductivity, based on our phonon measurements and simulations, reveals a significant anisotropy and indicates that spin fluctuations above TN constitute an important source of phonon scattering, considerably suppressing the thermal conductivity compared to that of the isostructural but nonmagnetic compound CuAlO2.

Dynamic Exergy Method for Evaluating the Control and Operation of Oxy-Combustion Boiler Island Systems.

PubMed

Jin, Bo; Zhao, Haibo; Zheng, Chuguang; Liang, Zhiwu

2017-01-03

Exergy-based methods are widely applied to assess the performance of energy conversion systems; however, these methods mainly focus on a certain steady-state and have limited applications for evaluating the control impacts on system operation. To dynamically obtain the thermodynamic behavior and reveal the influences of control structures, layers and loops, on system energy performance, a dynamic exergy method is developed, improved, and applied to a complex oxy-combustion boiler island system for the first time. The three most common operating scenarios are studied, and the results show that the flow rate change process leads to less energy consumption than oxygen purity and air in-leakage change processes. The variation of oxygen purity produces the largest impact on system operation, and the operating parameter sensitivity is not affected by the presence of process control. The control system saves energy during flow rate and oxygen purity change processes, while it consumes energy during the air in-leakage change process. More attention should be paid to the oxygen purity change because it requires the largest control cost. In the control system, the supervisory control layer requires the greatest energy consumption and the largest control cost to maintain operating targets, while the steam control loops cause the main energy consumption.

Formation Dynamics of CH3NH3PbI3 Perovskite Following Two-Step Layer Deposition.

PubMed

Patel, Jay B; Milot, Rebecca L; Wright, Adam D; Herz, Laura M; Johnston, Michael B

2016-01-07

Hybrid metal-halide perovskites have emerged as a leading class of semiconductors for optoelectronic devices because of their desirable material properties and versatile fabrication methods. However, little is known about the chemical transformations that occur in the initial stages of perovskite crystal formation. Here we follow the real-time formation dynamics of MAPbI3 from a bilayer of lead iodide (PbI2) and methylammonium iodide (MAI) deposited through a two-step thermal evaporation process. By lowering the substrate temperature during deposition, we are able to initially inhibit intermixing of the two layers. We subsequently use infrared and visible light transmission, X-ray diffraction, and photoluminescence lifetime measurements to reveal the room-temperature transformations that occur in vacuum and ambient air, as MAI diffuses into the PbI2 lattice to form MAPbI3. In vacuum, the transformation to MAPbI3 is incomplete as unreacted MAI is retained in the film. However, exposure to moist air allows for conversion of the unreacted MAI to MAPbI3, demonstrating that moisture is essential in making MAI more mobile and thus aiding perovskite crystallization. These dynamic processes are reflected in the observed charge-carrier lifetimes, which strongly fluctuate during periods of large ion migration but steadily increase with improving crystallinity.

Short-term dynamics of intertidal microphytobenthic biomass. Mathematical modelling [La dynamique a court terme de la biomasse du microphytobenthos intertidal. Formalisation mathematique

USGS Publications Warehouse

Guarini, J.-M.; Gros, P.; Blanchard, G.F.; Bacher, C.

1999-01-01

We formulate a deterministic mathematical model to describe the dynamics of the microphytobenthos of intertidal mudflats. It is 'minimal' because it only takes into account the essential processes governing the functioning of the system: the autotrophic production, the active upward and downward migrations of epipelic microalgae, the saturation of the mud surface by a biofilm of diatoms and the global net loss rates of biomass. According to the photic environment of the benthic diatoms inhabiting intertidal mudflats, and to their migration rhythm, the model is composed of two sub-systems of ordinary differential equations; they describe the simultaneous evolution of the biomass 'S' concentrated in the mud surface biofilm - the photic layer - and of the biomass 'F' diluted in the topmost centimetre of the mud - the aphotic layer. Qualitatively, the model solutions agree fairly well with the in situ observed dynamics of the S + F biomass. The study of the mathematical properties of the model, under some simplifying assumptions, shows the convergence of solutions to a stable cyclic equilibrium, whatever the frequencies of the physical synchronizers of the production. The sensitivity analysis reveals the necessity of a better knowledge of the processes of biomass losses, which so far are uncertain, and may further vary in space and time.

Nanocatalyst shape and composition during nucleation of single-walled carbon nanotubes

DOE PAGES

Gomez-Ballesteros, Jose L.; Burgos, Juan C.; Lin, Pin Ann; ...

2015-12-07

The dynamic evolution of nanocatalyst particle shape and carbon composition during the initial stages of single-walled carbon nanotube growth by chemical vapor deposition synthesis is investigated. Classical reactive and ab initio molecular dynamics simulations are used, along with environmental transmission electron microscope video imaging analyses. A clear migration of carbon is detected from the nanocatalyst/substrate interface, leading to a carbon gradient showing enrichment of the nanocatalyst layers in the immediate vicinity of the contact layer. However, as the metal nanocatalyst particle becomes saturated with carbon, a dynamic equilibrium is established, with carbon precipitating on the surface and nucleating a carbonmore » cap that is the precursor of nanotube growth. A carbon composition profile decreasing towards the nanoparticle top is clearly revealed by the computational and experimental results that show a negligible amount of carbon in the nanoparticle region in contact with the nucleating cap. The carbon composition profile inside the nanoparticle is accompanied by a well-defined shape evolution of the nanocatalyst driven by the various opposing forces acting upon it both from the substrate and from the nascent carbon nanostructure. In conclusion, this new understanding suggests that tuning the nanoparticle/substrate interaction would provide unique ways of controlling the nanotube synthesis.« less

Bio-inspired heterogeneous composites for broadband vibration mitigation.

PubMed

Chen, Yanyu; Wang, Lifeng

2015-12-08

Structural biological materials have developed heterogeneous and hierarchical architectures that are responsible for the outstanding performance to provide protection against environmental threats including static and dynamic loading. Inspired by this observation, this research aims to develop new material and structural concepts for broadband vibration mitigation. The proposed composite materials possess a two-layered heterogeneous architecture where both layers consist of high-volume platelet-shape reinforcements and low-volume matrix, similar to the well-known "brick and mortar" microstructure of biological composites. Using finite element method, we numerically demonstrated that broadband wave attenuation zones can be achieved by tailoring the geometric features of the heterogeneous architecture. We reveal that the resulting broadband attenuation zones are gained by directly superimposing the attenuation zones in each constituent layer. This mechanism is further confirmed by the investigation into the phonon dispersion relation of each layer. Importantly, the broadband wave attenuation capability will be maintained when the mineral platelet orientation is locally manipulated, yet a contrast between the mineral platelet concentrations of the two constituent layers is essential. The findings of this work will provide new opportunities to design heterogeneous composites for broadband vibration mitigation and impact resistance under mechanically challenging environmental conditions.

MoS2-InGaZnO Heterojunction Phototransistors with Broad Spectral Responsivity.

PubMed

Yang, Jaehyun; Kwak, Hyena; Lee, Youngbin; Kang, Yu-Seon; Cho, Mann-Ho; Cho, Jeong Ho; Kim, Yong-Hoon; Jeong, Seong-Jun; Park, Seongjun; Lee, Hoo-Jeong; Kim, Hyoungsub

2016-04-06

We introduce an amorphous indium-gallium-zinc-oxide (a-IGZO) heterostructure phototransistor consisting of solution-based synthetic molybdenum disulfide (few-layered MoS2, with a band gap of ∼1.7 eV) and sputter-deposited a-IGZO (with a band gap of ∼3.0 eV) films as a novel sensing element with a broad spectral responsivity. The MoS2 and a-IGZO films serve as a visible light-absorbing layer and a high mobility channel layer, respectively. Spectroscopic measurements reveal that appropriate band alignment at the heterojunction provides effective transfer of the visible light-induced electrons generated in the few-layered MoS2 film to the underlying a-IGZO channel layer with a high carrier mobility. The photoresponse characteristics of the a-IGZO transistor are extended to cover most of the visible range by forming a heterojunction phototransistor that harnesses a visible light responding MoS2 film with a small band gap prepared through a large-area synthetic route. The MoS2-IGZO heterojunction phototransistors exhibit a photoresponsivity of approximately 1.7 A/W at a wavelength of 520 nm (an optical power of 1 μW) with excellent time-dependent photoresponse dynamics.

Bio-inspired heterogeneous composites for broadband vibration mitigation

NASA Astrophysics Data System (ADS)

Chen, Yanyu; Wang, Lifeng

2015-12-01

Structural biological materials have developed heterogeneous and hierarchical architectures that are responsible for the outstanding performance to provide protection against environmental threats including static and dynamic loading. Inspired by this observation, this research aims to develop new material and structural concepts for broadband vibration mitigation. The proposed composite materials possess a two-layered heterogeneous architecture where both layers consist of high-volume platelet-shape reinforcements and low-volume matrix, similar to the well-known “brick and mortar” microstructure of biological composites. Using finite element method, we numerically demonstrated that broadband wave attenuation zones can be achieved by tailoring the geometric features of the heterogeneous architecture. We reveal that the resulting broadband attenuation zones are gained by directly superimposing the attenuation zones in each constituent layer. This mechanism is further confirmed by the investigation into the phonon dispersion relation of each layer. Importantly, the broadband wave attenuation capability will be maintained when the mineral platelet orientation is locally manipulated, yet a contrast between the mineral platelet concentrations of the two constituent layers is essential. The findings of this work will provide new opportunities to design heterogeneous composites for broadband vibration mitigation and impact resistance under mechanically challenging environmental conditions.

Investigation of features in radon soil dynamics and search for influencing factors

NASA Astrophysics Data System (ADS)

Yakovlev, Grigorii; Cherepnev, Maxim; Nagorskiy, Petr; Yakovleva, Valentina

2018-03-01

The features in radon soil dynamics at two depths were investigated and the main influencing factors were revealed. The monitoring of radon volumetric activity in soil air was performed at experimental site of Tomsk Observatory of Radioactivity and Ionizing Radiation with using radon radiometers and scintillation detectors of alpha-radiation with 10 min sampling frequency. The detectors were installed into boreholes of 0.5 and 1 m depths. The analysis of the soil radon monitoring data has allowed revealing some dependencies at daily and annual scales and main influencing factors. In periods with clearly defined daily radon variations in the soil were revealed the next: 1) amplitude of the daily variations of the soil radon volumetric activity damps with the depth, that is related with the influence of convective fluxes in the soil; 2) temporal shift between times of occurrence of radon volumetric activity maximum (or minimum) values at 0.5 m and 1 m depths can reach 3 hours. In seasonal dynamics of the soil radon the following dependences were found: 1) maximal values are observed in winter, but minimal - in summer; 2) spring periods of snow melting are accompanied by anomaly increasing of radon volumetric activity in the soil up to about 3 times. The main influencing factors are atmospheric precipitations, temperature gradient in the soil and the state of upper soil layer.

Altered vocal fold kinematics in synthetic self-oscillating models that employ adipose tissue as a lateral boundary condition.

NASA Astrophysics Data System (ADS)

Saidi, Hiba; Erath, Byron D.

2015-11-01

The vocal folds play a major role in human communication by initiating voiced sound production. During voiced speech, the vocal folds are set into sustained vibrations. Synthetic self-oscillating vocal fold models are regularly employed to gain insight into flow-structure interactions governing the phonation process. Commonly, a fixed boundary condition is applied to the lateral, anterior, and posterior sides of the synthetic vocal fold models. However, physiological observations reveal the presence of adipose tissue on the lateral surface between the thyroid cartilage and the vocal folds. The goal of this study is to investigate the influence of including this substrate layer of adipose tissue on the dynamics of phonation. For a more realistic representation of the human vocal folds, synthetic multi-layer vocal fold models have been fabricated and tested while including a soft lateral layer representative of adipose tissue. Phonation parameters have been collected and are compared to those of the standard vocal fold models. Results show that vocal fold kinematics are affected by adding the adipose tissue layer as a new boundary condition.

Cellular and Pectin Dynamics during Abscission Zone Development and Ripe Fruit Abscission of the Monocot Oil Palm

PubMed Central

Roongsattham, Peerapat; Morcillo, Fabienne; Fooyontphanich, Kim; Jantasuriyarat, Chatchawan; Tragoonrung, Somvong; Amblard, Philippe; Collin, Myriam; Mouille, Gregory; Verdeil, Jean-Luc; Tranbarger, Timothy J.

2016-01-01

The oil palm (Elaeis guineensis Jacq.) fruit primary abscission zone (AZ) is a multi-cell layered boundary region between the pedicel (P) and mesocarp (M) tissues. To examine the cellular processes that occur during the development and function of the AZ cell layers, we employed multiple histological and immunohistochemical methods combined with confocal, electron and Fourier-transform infrared (FT-IR) microspectroscopy approaches. During early fruit development and differentiation of the AZ, the orientation of cell divisions in the AZ was periclinal compared with anticlinal divisions in the P and M. AZ cell wall width increased earlier during development suggesting cell wall assembly occurred more rapidly in the AZ than the adjacent P and M tissues. The developing fruit AZ contain numerous intra-AZ cell layer plasmodesmata (PD), but very few inter-AZ cell layer PD. In the AZ of ripening fruit, PD were less frequent, wider, and mainly intra-AZ cell layer localized. Furthermore, DAPI staining revealed nuclei are located adjacent to PD and are remarkably aligned within AZ layer cells, and remain aligned and intact after cell separation. The polarized accumulation of ribosomes, rough endoplasmic reticulum, mitochondria, and vesicles suggested active secretion at the tip of AZ cells occurred during development which may contribute to the striated cell wall patterns in the AZ cell layers. AZ cells accumulated intracellular pectin during development, which appear to be released and/or degraded during cell separation. The signal for the JIM5 epitope, that recognizes low methylesterified and un-methylesterified homogalacturonan (HG), increased in the AZ layer cell walls prior to separation and dramatically increased on the separated AZ cell surfaces. Finally, FT-IR microspectroscopy analysis indicated a decrease in methylesterified HG occurred in AZ cell walls during separation, which may partially explain an increase in the JIM5 epitope signal. The results obtained through a multi-imaging approach allow an integrated view of the dynamic developmental processes that occur in a multi-layered boundary AZ and provide evidence for distinct regulatory mechanisms that underlie oil palm fruit AZ development and function. PMID:27200017

Dynamics of active layer in wooded palsas of northern Quebec

NASA Astrophysics Data System (ADS)

Jean, Mélanie; Payette, Serge

2014-02-01

Palsas are organic or mineral soil mounds having a permafrost core. Palsas are widespread in the circumpolar discontinuous permafrost zone. The annual dynamics and evolution of the active layer, which is the uppermost layer over the permafrost table and subjected to the annual freeze-thaw cycle, are influenced by organic layer thickness, snow depth, vegetation type, topography and exposure. This study examines the influence of vegetation types, with an emphasis on forest cover, on active layer dynamics of palsas in the Boniface River watershed (57°45‧ N, 76°00‧ W). In this area, palsas are often colonized by black spruce trees (Picea mariana (Mill.) B.S.P.). Thaw depth and active layer thickness were monitored on 11 wooded or non-wooded mineral and organic palsas in 2009, 2010 and 2011. Snow depth, organic layer thickness, and vegetation types were assessed. The mapping of a palsa covered by various vegetation types and a large range of organic layer thickness were used to identify the factors influencing the spatial patterns of thaw depth and active layer. The active layer was thinner and the thaw rate slower in wooded palsas, whereas it was the opposite in more exposed sites such as forest openings, shrubs and bare ground. Thicker organic layers were associated with thinner active layers and slower thaw rates. Snow depth was not an important factor influencing active layer dynamics. The topography of the mapped palsa was uneven, and the environmental factors such as organic layer, snow depth, and vegetation types were heterogeneously distributed. These factors explain a part of the spatial variation of the active layer. Over the 3-year long study, the area of one studied palsa decreased by 70%. In a context of widespread permafrost decay, increasing our understanding of factors that influence the dynamics of wooded and non-wooded palsas and understanding of the role of vegetation cover will help to define the response of discontinuous permafrost landforms to changing climatic conditions.

Untangleing the effects of chain rigidity on the structure and dynamics of strongly adsorbed polymer melts

DOE PAGES

Carrillo, Jan-Michael Y.; Cheng, Shiwang; Kumar, Rajeev; ...

2015-06-11

Here, we present a detailed analysis of coarse-grained molecular dynamics simulations of semiflexible polymer melts in contact with a strongly adsorbing substrate. We have characterized the segments in the interfacial layer by counting the number of trains, loops, tails and unadsorbed segments. For more rigid chains, a tail and an adsorbed segment (a train) dominate while loops are more prevalent in more flexible chains. The tails exhibit a non-uniformly stretched conformation akin to the polydispersed pseudobrush envisioned by Guiselin. To probe the dynamics of the segments we computed the layer z-resolved intermediate coherent collective dynamics structure factor, S(q, t, z),more » mean-square displacement of segments, and the 2nd Legendre polynomial of the time-autocorrelation of unit bond vectors, 2[n i(t,z)•n i(0,z)]>. Our results show that segmental dynamics is slower for stiffer chains and there is a strong correlation between the structure and dynamics in the interfacial layer. There is no glassy layer, and the slowing down in dynamics of stiffer chains in the adsorbed region can be attributed to the densification and the more persistent layering of segments.« less

Deep recurrent neural network reveals a hierarchy of process memory during dynamic natural vision.

PubMed

Shi, Junxing; Wen, Haiguang; Zhang, Yizhen; Han, Kuan; Liu, Zhongming

2018-05-01

The human visual cortex extracts both spatial and temporal visual features to support perception and guide behavior. Deep convolutional neural networks (CNNs) provide a computational framework to model cortical representation and organization for spatial visual processing, but unable to explain how the brain processes temporal information. To overcome this limitation, we extended a CNN by adding recurrent connections to different layers of the CNN to allow spatial representations to be remembered and accumulated over time. The extended model, or the recurrent neural network (RNN), embodied a hierarchical and distributed model of process memory as an integral part of visual processing. Unlike the CNN, the RNN learned spatiotemporal features from videos to enable action recognition. The RNN better predicted cortical responses to natural movie stimuli than the CNN, at all visual areas, especially those along the dorsal stream. As a fully observable model of visual processing, the RNN also revealed a cortical hierarchy of temporal receptive window, dynamics of process memory, and spatiotemporal representations. These results support the hypothesis of process memory, and demonstrate the potential of using the RNN for in-depth computational understanding of dynamic natural vision. © 2018 Wiley Periodicals, Inc.

Magnetization reversal in ferromagnetic nanopillar by varying fixed layer orientation: A micromagnetic study

NASA Astrophysics Data System (ADS)

Bhoomeeswaran, H.; Vivek, T.; Savithri, R.; Gowthaman, I.; Sabareesan, P.

2018-05-01

In this micromagnetic framework, Spin transfer torque induced magnetization switching in Co/Cu/Co nanopillar device is investigated numerically. The magnetization switching dynamics of the free layer in the nanopillar device is governed by the Landau Lifshitz Gilbert Slonczewski (LLGS) equation and solving it numerically by employing OOMMF, a micromagnetic software. Results are obtained by varying the fixed layer orientation (β) of our nanopillar device from in-plane to out-of-plane (i.e.) from 0° to 80° and the corresponding switching time is noted. Results of the micromagnetic simulation reveals that there is an extreme reduction of switching time in the free layer of our devised nanopillar, if we increase the fixed layer angle (β) from 0° to 80°. The corresponding switching time got shortened from 1651 picoseconds to 104.44 picoseconds and is obtained for an applied current density of 2.25×1011Am-2 with 0.05 T as applied bias field. For 90° (i.e.) out-of-plane orientation, the magnetization switching is not exist, because the free layer magnetization follows an oscillation state. Moreover, when we compare 0° to 80°, the switching time is reduced almost 16 times which solely provoked as a source of future spintronic devices for magnetic storage applications.

ORATOS: ESA's future flight dynamics operations system

NASA Astrophysics Data System (ADS)

Dreger, Frank; Fertig, Juergen; Muench, Rolf

The Orbit and Attitude Operations System (ORATOS -- the European Space Agency's future orbit and attitude operations system -- will be in use from the mid-nineties until well beyond the year 2000. The ORATOS design is based on the experience from flight dynamics support to all past ESA missions. The ORATOS computer hardware consists of a network of powerful UNIX workstations. ORATOS resides on several hardware platforms, each comprising one or more fileservers, several client workstations and the associated communications interface hardware. The ORATOS software is structured into three layers. The flight dynamics applications layer, the support layer and the operating system layer. This architectural design separates the flight dynamics application software from the support tools and operating system facilities. It allows upgrading and replacement of operating system facilities with a minimum (or no) effect on the application layer.

Counter-intuitive features of the dynamic topography unveiled by tectonically realistic 3D numerical models of mantle-lithosphere interactions

NASA Astrophysics Data System (ADS)

Burov, Evgueni; Gerya, Taras

2013-04-01

It has been long assumed that the dynamic topography associated with mantle-lithosphere interactions should be characterized by long-wavelength features (> 1000 km) correlating with morphology of mantle flow and expanding beyond the scale of tectonic processes. For example, debates on the existence of mantle plumes largely originate from interpretations of expected signatures of plume-induced topography that are compared to the predictions of analytical and numerical models of plume- or mantle-lithosphere interactions (MLI). Yet, most of the large-scale models treat the lithosphere as a homogeneous stagnant layer. We show that in continents, the dynamic topography is strongly affected by rheological properties and layered structure of the lithosphere. For that we reconcile mantle- and tectonic-scale models by introducing a tectonically realistic continental plate model in 3D large-scale plume-mantle-lithosphere interaction context. This model accounts for stratified structure of continental lithosphere, ductile and frictional (Mohr-Coulomb) plastic properties and thermodynamically consistent density variations. The experiments reveal a number of important differences from the predictions of the conventional models. In particular, plate bending, mechanical decoupling of crustal and mantle layers and intra-plate tension-compression instabilities result in transient topographic signatures such as alternating small-scale surface features that could be misinterpreted in terms of regional tectonics. Actually thick ductile lower crustal layer absorbs most of the "direct" dynamic topography and the features produced at surface are mostly controlled by the mechanical instabilities in the upper and intermediate crustal layers produced by MLI-induced shear and bending at Moho and LAB. Moreover, the 3D models predict anisotropic response of the lithosphere even in case of isotropic solicitations by axisymmetric mantle upwellings such as plumes. In particular, in presence of small (i.e. insufficient to produce solely any significant deformation) uniaxial extensional tectonic stress field, the plume-produced surface and LAB features have anisotropic linear shapes perpendicular to the far-field tectonic forces, typical for continental rifts. Compressional field results in singular sub-linear folds above the plume head, perpendicular to the direction of compression. Small bi-axial tectonic stress fields (compression in one direction and extension in the orthogonal direction) result in oblique, almost linear segmented normal or inverse faults with strike-slip components (or visa verse , strike-slip faults with normal or inverse components)

Seasonality and intermittency of the ocean dynamics at scales smaller than 100 km in the world ocean: A scientific challenge for SWOT

NASA Astrophysics Data System (ADS)

Wang, J.; Su, Z.; Klein, P.; Thompson, A. F.; Menemenlis, D.; Fu, L. L.

2016-12-01

The major observational advance expected from the Surface Water and Ocean Topography (SWOT) altimeter, compared with existing altimeters, is that it will provide wide-swath (120 km) along-track data that permit the sampling of oceanic scales between 15 and 150km. The potential of this satellite mission is to understand the dynamical impact of these small scales on ocean dynamics. Such impact is known to affect the vertical velocity field (and therefore the vertical fluxes of ocean properties) and significantly affect both the inverse and direct kinetic energy cascades. The need to monitor these scales on a global scale is illustrated by the results of a realistic global ocean simulation. This model has 1/48-degree horizontal grid spacing, 90 vertical levels, and the inclusion of tidal forcing. This simulation reveals a strong seasonality of ocean dynamics at scales less than 100 km, not only in the previously documented regions, such as the Kuroshio extension, Gulf Stream, and subtropical gyres; but also in most other regions, such as most of the Southern Hemisphere and the North-East Atlantic. This strong seasonality, with a maximum amplitude consistently in winter, is associated with deep winter mixed-layer and energetic mesoscale eddies, pointing to mixed-layer instability as a major driver of the seasonality of dynamics at small scales. In addition to seasonal variations, strong intermittencies of ocean dynamics with a period of one to two weeks are also observed occasionally with the same amplitude as the seasonal variability. In this presentation, we discuss the consequences and the challenges posed by the strong spatial and temporal variability to SWOT data analysis.

Analysis of self-assembly of S-layer protein slp-B53 from Lysinibacillus sphaericus.

PubMed

Liu, Jun; Falke, Sven; Drobot, Bjoern; Oberthuer, Dominik; Kikhney, Alexey; Guenther, Tobias; Fahmy, Karim; Svergun, Dmitri; Betzel, Christian; Raff, Johannes

2017-01-01

The formation of stable and functional surface layers (S-layers) via self-assembly of surface-layer proteins on the cell surface is a dynamic and complex process. S-layers facilitate a number of important biological functions, e.g., providing protection and mediating selective exchange of molecules and thereby functioning as molecular sieves. Furthermore, S-layers selectively bind several metal ions including uranium, palladium, gold, and europium, some of them with high affinity. Most current research on surface layers focuses on investigating crystalline arrays of protein subunits in Archaea and bacteria. In this work, several complementary analytical techniques and methods have been applied to examine structure-function relationships and dynamics for assembly of S-layer protein slp-B53 from Lysinibacillus sphaericus: (1) The secondary structure of the S-layer protein was analyzed by circular dichroism spectroscopy; (2) Small-angle X-ray scattering was applied to gain insights into the three-dimensional structure in solution; (3) The interaction with bivalent cations was followed by differential scanning calorimetry; (4) The dynamics and time-dependent assembly of S-layers were followed by applying dynamic light scattering; (5) The two-dimensional structure of the paracrystalline S-layer lattice was examined by atomic force microscopy. The data obtained provide essential structural insights into the mechanism of S-layer self-assembly, particularly with respect to binding of bivalent cations, i.e., Mg 2+ and Ca 2+ . Furthermore, the results obtained highlight potential applications of S-layers in the fields of micromaterials and nanobiotechnology by providing engineered or individual symmetric thin protein layers, e.g., for protective, antimicrobial, or otherwise functionalized surfaces.

Elevated Aerosol Layers and Their Radiative Impact over Kanpur During Monsoon Onset Period

NASA Technical Reports Server (NTRS)

Sarangi, Chandan; Tripathi, S. N.; Mishra, A. K.; Welton, E. J.

2016-01-01

Accurate information about aerosol vertical distribution is needed to reduce uncertainties in aerosol radiative forcing and its effect on atmospheric dynamics. The present study deals with synergistic analyses of aerosol vertical distribution and aerosol optical depth (AOD) with meteorological variables using multisatellite and ground-based remote sensors over Kanpur in central Indo-Gangetic Plain (IGP). Micro-Pulse Lidar Network-derived aerosol vertical extinction (sigma) profiles are analyzed to quantify the interannual and daytime variations during monsoon onset period (May-June) for 2009-2011. The mean aerosol profile is broadly categorized into two layers viz., a surface layer (SL) extending up to 1.5 km (where sigma decreased exponentially with height) and an elevated aerosol layer (EAL) extending between 1.5 and 5.5 km. The increase in total columnar aerosol loading is associated with relatively higher increase in contribution from EAL loading than that from SL. The mean contributions of EALs are about 60%, 51%, and 50% to total columnar AOD during 2009, 2010, and 2011, respectively. We observe distinct parabolic EALs during early morning and late evening but uniformly mixed EALs during midday. The interannual and daytime variations of EALs are mainly influenced by long-range transport and convective capacity of the local emissions, respectively. Radiative flux analysis shows that clear-sky incoming solar radiation at surface is reduced with increase in AOD, which indicates significant cooling at surface. Collocated analysis of atmospheric temperature and aerosol loading reveals that increase in AOD not only resulted in surface dimming but also reduced the temperature (approximately 2-3 C) of lower troposphere (below 3 km altitude). Radiative transfer simulations indicate that the reduction of incoming solar radiation at surface is mainly due to increased absorption by EALs (with increase in total AOD). The observed cooling in lower troposphere in high aerosol loading scenario could be understood as a dynamical feedback of EAL-induced stratification of lower troposphere. Further, the observed radiative effect of EALs increases the stability of the lower troposphere, which could modulate the large-scale atmospheric dynamics during monsoon onset period. These findings encourage follow-up studies on the implication of EALs to the Indian summer monsoon dynamics using numerical models.

Fluid flow induced by periodic temperature oscillation over a flat plate: Comparisons with the classical Stokes problems

NASA Astrophysics Data System (ADS)

Pal, Debashis; Chakraborty, Suman

2015-05-01

We delineate the dynamics of temporally and spatially periodic flow over a flat plate originating out of periodic thermoviscous expansion of the fluid, as a consequence of a thermal wave applied on the plate wall. We identify two appropriate length scales, namely, the wavelength of the temperature wave and the thermal penetration depth, so as to bring out the complex thermo-physical interaction between the fluid and the solid boundaries. Our results reveal that the entire thermal fluctuation and the subsequent thermoviscous actuation remain confined within a "thermo-viscous boundary layer." Based on the length scales and the analytical solution for the temperature field, we demarcate three different layers, namely, the wall layer (which is further sub-divided into various sub-layers, based on the temperature field), the intermediate layer, and the outer layer. We show that the interactions between the pressure oscillation and temperature-dependent viscosity yield a unidirectional time-averaged (mean) flow within the wall layer opposite to the direction of motion of the thermal wave. We also obtain appropriate scalings for the time-averaged velocity, which we further substantiate by full scale numerical simulations. Our analysis may constitute a new design basis for simultaneous control of the net throughput and mixing over a solid boundary, by the judicious employment of a traveling temperature wave.

Short-term dynamics of the high-latitude auroral distribution

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

Murphree, J.S.; Elphinstone, R.D.; Cogger, L.L.

During two consecutive orbits of the Viking satellite on March 24, 1986, UV observations of the northern hemisphere auroral distribution revealed rapid growth and decay of large-scale polar arcs. Evolution of these features occurred from the nightside auroral distribution (to which they are optically connected) toward the dayside. The connection on the dayside was short-lived ({approx} 2 min) and the arc retreated at similar speeds to its development ({approx} 5 km/s). Time scales for growth (at least to the level of the sensitivity of the instrument) can also be less than 1 min. Examples of arc occurrences during a half-hourmore » time period show that arcs can extend from the nightside to the dayside and disappear and another extended arc can appear at a widely separated position. These types of dynamic polar features appear consistent with the dynamic energization and precipitation of boundary layer electrons at high latitudes.« less

Ultrafast electron dynamics reveal the high potential of InSe for hot-carrier optoelectronics

NASA Astrophysics Data System (ADS)

Chen, Zhesheng; Giorgetti, Christine; Sjakste, Jelena; Cabouat, Raphael; Véniard, Valérie; Zhang, Zailan; Taleb-Ibrahimi, Amina; Papalazarou, Evangelos; Marsi, Marino; Shukla, Abhay; Peretti, Jacques; Perfetti, Luca

2018-06-01

We monitor the dynamics of hot carriers in InSe by means of two-photon photoelectron spectroscopy (2PPE). The electrons excited by photons of 3.12 eV experience a manifold relaxation. First, they thermalize to electronic states degenerate with the M ¯ valley. Subsequently, the electronic cooling is dictated by Fröhlich coupling with phonons of small momentum transfer. Ab initio calculations predict cooling rates that are in good agreement with the observed dynamics. We argue that electrons accumulating in states degenerate with the M ¯ valley could travel through a multilayer flake of InSe with a lateral size of 1 μ m . The hot carriers pave a viable route to the realization of below-band-gap photodiodes and Gunn oscillators. Our results indicate that these technologies may find a natural implementation in future devices based on layered chalcogenides.

Photoexcited Carrier Dynamics of Cu 2S Thin Films

DOE PAGES

Riha, Shannon C.; Schaller, Richard D.; Gosztola, David J.; ...

2014-11-11

Copper sulfide is a simple binary material with promising attributes for low-cost thin film photovoltaics. However, stable Cu 2S-based device efficiencies approaching 10% free from cadmium have yet to be realized. In this paper, transient absorption spectroscopy is used to investigate the dynamics of the photoexcited state of isolated Cu 2S thin films prepared by atomic layer deposition or vapor-based cation exchange of ZnS. While a number of variables including film thickness, carrier concentration, surface oxidation, and grain boundary passivation were examined, grain structure alone was found to correlate with longer lifetimes. A map of excited state dynamics is deducedmore » from the spectral evolution from 300 fs to 300 μs. Finally, revealing the effects of grain morphology on the photophysical properties of Cu 2S is a crucial step toward reaching high efficiencies in operationally stable Cu 2S thin film photovoltaics.« less

Predicted spatio-temporal dynamics of radiocesium deposited onto forests following the Fukushima nuclear accident

PubMed Central

Hashimoto, Shoji; Matsuura, Toshiya; Nanko, Kazuki; Linkov, Igor; Shaw, George; Kaneko, Shinji

2013-01-01

The majority of the area contaminated by the Fukushima Dai-ichi nuclear power plant accident is covered by forest. To facilitate effective countermeasure strategies to mitigate forest contamination, we simulated the spatio-temporal dynamics of radiocesium deposited into Japanese forest ecosystems in 2011 using a model that was developed after the Chernobyl accident in 1986. The simulation revealed that the radiocesium inventories in tree and soil surface organic layer components drop rapidly during the first two years after the fallout. Over a period of one to two years, the radiocesium is predicted to move from the tree and surface organic soil to the mineral soil, which eventually becomes the largest radiocesium reservoir within forest ecosystems. Although the uncertainty of our simulations should be considered, the results provide a basis for understanding and anticipating the future dynamics of radiocesium in Japanese forests following the Fukushima accident. PMID:23995073

Dynamical features and electric field strengths of double layers driven by currents. [in auroras

NASA Technical Reports Server (NTRS)

Singh, N.; Thiemann, H.; Schunk, R. W.

1985-01-01

In recent years, a number of papers have been concerned with 'ion-acoustic' double layers. In the present investigation, results from numerical simulations are presented to show that the shapes and forms of current-driven double layers evolve dynamically with the fluctuations in the current through the plasma. It is shown that double layers with a potential dip can form even without the excitation of ion-acoustic modes. Double layers in two-and one-half-dimensional simulations are discussed, taking into account the simulation technique, the spatial and temporal features of plasma, and the dynamical behavior of the parallel potential distribution. Attention is also given to double layers in one-dimensional simulations, and electrical field strengths predicted by two-and one-half-dimensional simulations.

Decreased colonization of fecal Clostridium coccoides/Eubacterium rectale species from ulcerative colitis patients in an in vitro dynamic gut model with mucin environment.

PubMed

Vermeiren, Joan; Van den Abbeele, Pieter; Laukens, Debby; Vigsnaes, Louise Kristine; De Vos, Martine; Boon, Nico; Van de Wiele, Tom

2012-03-01

The mucus layer in the colon, acting as a barrier to prevent invasion of pathogens, is thinner and discontinuous in patients with ulcerative colitis (UC). A recent developed in vitro dynamic gut model, the M-SHIME, was used to compare long-term colonization of the mucin layer by the microbiota from six healthy volunteers (HV) and six UC patients and thus distinguish the mucin adhered from the luminal microbiota. Although under the same nutritional conditions, short-chain fatty acid production by the luminal communities from UC patients showed a tendency toward a lower butyrate production. A more in-depth community analysis of those microbial groups known to produce butyrate revealed that the diversity of the Clostridium coccoides/Eubacterium rectale and Clostridium leptum group, and counts of Faecalibacterium prausnitzii were lower in the luminal fractions of the UC samples. Counts of Roseburia spp. were lower in the mucosal fractions of the UC samples. qPCR analysis for butyryl-CoA:acetate CoA transferase, responsible for butyrate production, displayed a lower abundance in both the luminal and mucosal fractions of the UC samples. The M-SHIME model revealed depletion in butyrate producing microbial communities not restricted to the luminal but also in the mucosal samples from UC patients compared to HV. © 2011 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

Radiation-Hard Complementary Integrated Circuits Based on Semiconducting Single-Walled Carbon Nanotubes.

PubMed

McMorrow, Julian J; Cress, Cory D; Gaviria Rojas, William A; Geier, Michael L; Marks, Tobin J; Hersam, Mark C

2017-03-28

Increasingly complex demonstrations of integrated circuit elements based on semiconducting single-walled carbon nanotubes (SWCNTs) mark the maturation of this technology for use in next-generation electronics. In particular, organic materials have recently been leveraged as dopant and encapsulation layers to enable stable SWCNT-based rail-to-rail, low-power complementary metal-oxide-semiconductor (CMOS) logic circuits. To explore the limits of this technology in extreme environments, here we study total ionizing dose (TID) effects in enhancement-mode SWCNT-CMOS inverters that employ organic doping and encapsulation layers. Details of the evolution of the device transport properties are revealed by in situ and in operando measurements, identifying n-type transistors as the more TID-sensitive component of the CMOS system with over an order of magnitude larger degradation of the static power dissipation. To further improve device stability, radiation-hardening approaches are explored, resulting in the observation that SWNCT-CMOS circuits are TID-hard under dynamic bias operation. Overall, this work reveals conditions under which SWCNTs can be employed for radiation-hard integrated circuits, thus presenting significant potential for next-generation satellite and space applications.

Clustering determines the dynamics of complex contagions in multiplex networks

NASA Astrophysics Data System (ADS)

Zhuang, Yong; Arenas, Alex; Yaǧan, Osman

2017-01-01

We present the mathematical analysis of generalized complex contagions in a class of clustered multiplex networks. The model is intended to understand spread of influence, or any other spreading process implying a threshold dynamics, in setups of interconnected networks with significant clustering. The contagion is assumed to be general enough to account for a content-dependent linear threshold model, where each link type has a different weight (for spreading influence) that may depend on the content (e.g., product, rumor, political view) that is being spread. Using the generating functions formalism, we determine the conditions, probability, and expected size of the emergent global cascades. This analysis provides a generalization of previous approaches and is especially useful in problems related to spreading and percolation. The results present nontrivial dependencies between the clustering coefficient of the networks and its average degree. In particular, several phase transitions are shown to occur depending on these descriptors. Generally speaking, our findings reveal that increasing clustering decreases the probability of having global cascades and their size, however, this tendency changes with the average degree. There exists a certain average degree from which on clustering favors the probability and size of the contagion. By comparing the dynamics of complex contagions over multiplex networks and their monoplex projections, we demonstrate that ignoring link types and aggregating network layers may lead to inaccurate conclusions about contagion dynamics, particularly when the correlation of degrees between layers is high.

Axial superresolution via multiangle TIRF microscopy with sequential imaging and photobleaching

PubMed Central

Fu, Yan; Winter, Peter W.; Rojas, Raul; Wang, Victor; McAuliffe, Matthew; Patterson, George H.

2016-01-01

We report superresolution optical sectioning using a multiangle total internal reflection fluorescence (TIRF) microscope. TIRF images were constructed from several layers within a normal TIRF excitation zone by sequentially imaging and photobleaching the fluorescent molecules. The depth of the evanescent wave at different layers was altered by tuning the excitation light incident angle. The angle was tuned from the highest (the smallest TIRF depth) toward the critical angle (the largest TIRF depth) to preferentially photobleach fluorescence from the lower layers and allow straightforward observation of deeper structures without masking by the brighter signals closer to the coverglass. Reconstruction of the TIRF images enabled 3D imaging of biological samples with 20-nm axial resolution. Two-color imaging of epidermal growth factor (EGF) ligand and clathrin revealed the dynamics of EGF-activated clathrin-mediated endocytosis during internalization. Furthermore, Bayesian analysis of images collected during the photobleaching step of each plane enabled lateral superresolution (<100 nm) within each of the sections. PMID:27044072

Chemical solution-deposited PbZr 0.53 Ti 0.47 O3 on La 0.5 Sr 0.5 Co O3. SIMS investigation of the effect of different precursor additives on the layer structure.

PubMed

Pollak, C; Malic, B; Kosec, M; Javoric, S; Hutter, H

2002-10-01

Chemical solution-deposited thin films of PbZr(0.53)Ti(0.47)O(3)/La(0.5)Sr(0.5)CoO(3) on Pt/TiO(2)/SiO(2)/Si substrates have been investigated by dynamic SIMS. The PbZr(0.53)Ti(0.47)O(3) (PZT) is intended to serve as a ferroelectric layer for microelectronic or microelectromechanical applications; conducting La(0.5)Sr(0.5)CoO(3) (LSCO) is a buffer layer intended to eliminate fatigue effects which usually occur at the Pt/PZT interface. Depth profiles of the main components were obtained and revealed that significant diffusion occurred during the deposition and crystallisation processes. Two types of sample, with different thickness of PZT and different types of poly(vinyl alcohol) (PVA) added to the LSCO precursor, were investigated.

Formation Of Nano Layered Lamellar Structure In a Processed γ-TiAl Based Alloy

NASA Astrophysics Data System (ADS)

Heshmati-Manesh, S.; Shakoorian, H.; Armaki, H. Ghassemi; Ahmadabadi, M. Nili

2009-06-01

In this research, microstructures of an intermetallic alloy based on γ-TiAl has been investigated by optical and transmission electron microscopy. Samples of Ti-47Al-2Cr alloy were subjected to either a cyclic heat treatment or thermomechanical treatment with the aim of microstructural refinement. In both cases it was found that very fine lamellar structure with an interlamellar spacing in the nano scale is formed. Upon cyclic heat treatment, nano layers of α2 and γ ordered intermetallic phases were either formed during rapid cooling cycle in competition with massive structure formation, or formed as secondary lamellar structure during final stages of cyclic heat treatment. Also, TEM observations in hot forged specimens with initial lamellar structure revealed that micro twins form during the deformation within lamellar structure with twinning plates parallel to lamellar interfaces. Concurrent dynamic recrystallisation results in a nano layered structure with an interlamellar spacing of less than 100 nm.

Influence of Evaporating Droplets in the Turbulent Marine Atmospheric Boundary Layer

NASA Astrophysics Data System (ADS)

Peng, Tianze; Richter, David

2017-12-01

Sea-spray droplets ejected into the marine atmospheric boundary layer take part in a series of complex transport processes. By capturing the air-droplet coupling and feedback, we focus on how droplets modify the total heat transfer across a turbulent boundary layer. We implement a high-resolution Eulerian-Lagrangian algorithm with varied droplet size and mass loading in a turbulent open-channel flow, revealing that the influence from evaporating droplets varies for different dynamic and thermodynamic characteristics of droplets. Droplets that both respond rapidly to the ambient environment and have long suspension times are able to modify the latent and sensible heat fluxes individually, however the competing signs of this modification lead to an overall weak effect on the total heat flux. On the other hand, droplets with a slower thermodynamic response to the environment are less subjected to this compensating effect. This indicates a potential to enhance the total heat flux, but the enhancement is highly dependent on the concentration and suspension time.

Determinants of carbon release from the active layer and permafrost deposits on the Tibetan Plateau

PubMed Central

Chen, Leiyi; Liang, Junyi; Qin, Shuqi; Liu, Li; Fang, Kai; Xu, Yunping; Ding, Jinzhi; Li, Fei; Luo, Yiqi; Yang, Yuanhe

2016-01-01

The sign and magnitude of permafrost carbon (C)-climate feedback are highly uncertain due to the limited understanding of the decomposability of thawing permafrost and relevant mechanistic controls over C release. Here, by combining aerobic incubation with biomarker analysis and a three-pool model, we reveal that C quality (represented by a higher amount of fast cycling C but a lower amount of recalcitrant C compounds) and normalized CO2–C release in permafrost deposits were similar or even higher than those in the active layer, demonstrating a high vulnerability of C in Tibetan upland permafrost. We also illustrate that C quality exerts the most control over CO2–C release from the active layer, whereas soil microbial abundance is more directly associated with CO2–C release after permafrost thaw. Taken together, our findings highlight the importance of incorporating microbial properties into Earth System Models when predicting permafrost C dynamics under a changing environment. PMID:27703168

Changes in the depth habitat of the Oligocene planktic foraminifera (Dentoglobigerina venezuelana) induced by thermocline deepening in the eastern equatorial Pacific

NASA Astrophysics Data System (ADS)

Matsui, Hiroki; Nishi, Hiroshi; Takashima, Reishi; Kuroyanagi, Azumi; Ikehara, Minoru; Takayanagi, Hideko; Iryu, Yasufumi

2016-06-01

Understanding planktic foraminiferal depth habitat along with consistent taxonomic concepts is key to accurate reconstruction of paleoceanographic records. The Oligocene-Pliocene long-ranging and widely distributed species Dentoglobigerina venezuelana lived in the mixed layer (shallower) during the early Oligocene, whereas the same species calcified at thermocline or subthermocline depths (deeper) during the late Oligocene and Miocene. The exact timing of the species' depth habitat change and its possible relationships with Oligocene climate dynamics remain unknown. Here we reveal isotopic records of D. venezuelana along with the Paragloborotalia siakensis group (a mixed-layer dweller) by using sediments at Integrated Ocean Drilling Program Site U1334 in the eastern equatorial Pacific throughout the Oligocene. A two-step depth habitat change of D. venezuelana is apparent: (1) from upper to lower mixed layer (~27.4 Ma) and (2) from lower mixed layer to thermocline depth (~26.3 Ma). In addition, the planktic foraminiferal faunal assemblage experienced a marked change from dominantly thermocline (deeper) species to abundant mixed-layer (shallower) species, suggesting that depth habitat shifts of D. venezuelana were clearly related to thermocline deepening in the eastern equatorial Pacific. Comparison of the first isotopic shift (~27.4 Ma) at multiple sites (U1334, U1333, and 1218) revealed a southward depth habitat change of D. venezuelana within ~200 kyr, implying overall thermocline deepening with reduced steepness in the eastern equatorial Pacific. We consider that global warming conditions during the late Oligocene likely caused thermocline deepening with upwelling decrease in the eastern equatorial Pacific, guiding D. venezuelana to adapt to greater depths in the water column.

Importance of weak minerals on earthquake mechanics

NASA Astrophysics Data System (ADS)

Kaneki, S.; Hirono, T.

2017-12-01

The role of weak minerals such as smectite and talc on earthquake mechanics is one of the important issues, and has been debated for recent several decades. Traditionally weak minerals in fault have been reported to weaken fault strength causing from its low frictional resistance. Furthermore, velocity-strengthening behavior of such weak mineral (talc) is considered to responsible for fault creep (aseismic slip) in the San Andreas fault. In contrast, recent studies reported that large amount of weak smectite in the Japan Trench could facilitate gigantic seismic slip during the 2011 Tohoku-oki earthquake. To investigate the role of weak minerals on rupture propagation process and magnitude of slip, we focus on the frictional properties of carbonaceous materials (CMs), which is the representative weak materials widely distributed in and around the convergent boundaries. Field observation and geochemical analyses revealed that graphitized CMs-layer is distributed along the slip surface of a fossil plate-subduction fault. Laboratory friction experiments demonstrated that pure quartz, bulk mixtures with bituminous coal (1 wt.%), and quartz with layered coal samples exhibited almost similar frictional properties (initial, yield, and dynamic friction). However, mixtures of quartz (99 wt.%) and layered graphite (1 wt.%) showed significantly lower initial and yield friction coefficient (0.31 and 0.50, respectively). Furthermore, the stress ratio S, defined as (yield stress-initial stress)/(initial stress-dynamic stress), increased in layered graphite samples (1.97) compared to quartz samples (0.14). Similar trend was observed in smectite-rich fault gouge. By referring the reported results of dynamic rupture propagation simulation using S ratio of 1.4 (typical value for the Japan Trench) and 2.0 (this study), we confirmed that higher S ratio results in smaller slip distance by approximately 20 %. On the basis of these results, we could conclude that weak minerals have lower initial/yield strength and higher S ratio, and thus restrain magnitude of slip during earthquake.

Adsorbed Polymer Nanolayers on Solids: Mechanism, Structure and Applications

NASA Astrophysics Data System (ADS)

Sen, Mani Kuntal

In this thesis, by combining various advanced x-ray scattering, spectroscopic and other surface sensitive characterization techniques, I report the equilibrium polymer chain conformations, structures, dynamics and properties of polymeric materials at the solid-polymer melt interfaces. Following the introduction, in chapter 2, I highlight that the backbone chains (constituted of CH and CH2 groups) of the flattened polystyrene (PS) chains preferentially orient normal to the weakly interactive substrate surface via thermal annealing regardless of the initial chain conformations, while the orientation of the phenyl rings becomes randomized, thereby increasing the number of surface-segmental contacts (i.e., enthalpic gain) which is the driving force for the flattening process of the polymer chains even onto a weakly interactive solid. In chapter 3, I elucidate the flattened structures in block copolymer (BCP) thin films where both blocks lie flat on the substrate, forming a 2D randomly phase-separated structure irrespective of their microdomain structures and interfacial energetics. In chapter 4, I reveal the presence of an irreversibly adsorbed BCP layer which showed suppressed dynamics even at temperatures far above the individual glass transition temperatures of the blocks. Furthermore, this adsorbed BCP layer plays a crucial role in controlling the microdomain orientation in the entire film. In chapter 5, I report a radically new paradigm of designing a polymeric coating layer of a few nanometers thick ("polymer nanolayer") with anti-biofouling properties.

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

NASA Astrophysics Data System (ADS)

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

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

The tropopause inversion layer at midlatitudes: Formation processes and relation to stratosphere-troposphere exchange

NASA Astrophysics Data System (ADS)

Kunkel, D.; Hoor, P. M.; Wirth, V.

2016-12-01

Recent studies revealed the existence of a quasi-permanent layer of enhanced static stability above the thermal tropopause. This so-called tropopause inversion layer (TIL) is evident in adiabatic baroclinic life cycles suggesting that dry dynamics contribute to its formation. However, compared to observations the TIL in these life cycles is too weak, indicating that other contributions from diabatic processes are relevant. Such processes could be related to moisture or radiation, or other non-linear, subgrid-scale processes such as gravity wave breaking. Moreover, whether there is a causal relation between the occurrence of the TIL and stratosphere-troposphere exchange (STE) is still under debate. In this study various types of baroclinic life cycles are simulated using a non-hydrostatic model in an idealized mid-latitude channel configuration. A simulation using only the dynamical core of the model serves as base simulation, which is modified subsequently by adding different processes. First, these processes such as vertical turbulence, cloud microphysics, radiation as well as surface fluxes for heat and momentum are added individually. In a second set of simulations combinations of these processes are studied to assess the relative importance of the individual processes in the formation of the TIL. Finally, the static stability is analyzed in regions of STE. These regions are identified with the help of passive tracer as well as a Lagrangian trajectory analysis.

Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy

DOE PAGES

Hwang, Sooyeon; Yao, Zhenpeng; Zhang, Lei; ...

2018-04-03

Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites andmore » block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.« less

Multi-Step Lithiation of Tin Sulfide: An Investigation Using In Situ Electron Microscopy

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

Hwang, Sooyeon; Yao, Zhenpeng; Zhang, Lei

Two-dimensional metal sulfides have been widely explored as promising electrodes for lithium ion batteries since their two-dimensional layered structure allows lithium ions to intercalate between layers. For tin disulfide, the lithiation process proceeds via a sequence of three different types of reactions: intercalation, conversion, and alloying but the full scenario of reaction dynamics remains nebulous. In this paper, we investigate the dynamical process of the multi-step reactions using in situ electron microscopy and discover an intermediate rock-salt phase with the disordering of Li and Sn cations, after the initial 2-dimensional intercalation. The disordered cations occupy all the octahedral sites andmore » block the channels for intercalation, which alter the reaction pathways during further lithiation. Our first principles calculations of the non-equilibrium lithiation of SnS2 corroborate the energetic preference of the disordered rock-salt structure over known layered polymorphs. The in situ observations and calculations suggest a two-phase reaction nature for intercalation, disordering, and following conversion reactions. In addition, in situ de-lithiation observation confirms that the alloying reaction is reversible while the conversion reaction is not, which is consistent to the ex situ analysis. This work reveals the full lithiation characteristic of SnS2 and sheds light on the understanding of complex multistep reactions in two-dimensional materials.« less

Linking Dynamics of the Near-surface Flow to Deeper Boundary Layer Forcing in the Nocturnal Boundary Layer

DTIC Science & Technology

2012-06-01

Kaimal and Finnigan (1994), modified) Figure 2.2 illustrates the evolution from unstable CBL to a nocturnal Stable Bound- ary Layer ( SBL ) in the absence...mixed layer acts as a cap for the SBL . The SBL persists through the night until sunrise when surface heating resumes and a new unstable layer begins...to form at the surface, gradually returning to a CBL. 7 2.2.1 Dynamics of the stable boundary layer Because the SBL is stably stratified, buoyancy

Structural behavior and dynamics of an anomalous fluid between attractive and repulsive walls: Templating, molding, and superdiffusion

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

Leoni, Fabio; Franzese, Giancarlo

2014-11-07

Confinement can modify the dynamics, the thermodynamics, and the structural properties of liquid water, the prototypical anomalous liquid. By considering a generic model for anomalous liquids, suitable for describing solutions of globular proteins, colloids, or liquid metals, we study by molecular dynamics simulations the effect that an attractive wall with structure and a repulsive wall without structure have on the phases, the crystal nucleation, and the dynamics of the fluid. We find that at low temperatures the large density of the attractive wall induces a high-density, high-energy structure in the first layer (“templating” effect). In turn, the first layer inducesmore » a “molding” effect on the second layer determining a structure with reduced energy and density, closer to the average density of the system. This low-density, low-energy structure propagates further through the layers by templating effect and can involve all the existing layers at the lowest temperatures investigated. Therefore, although the high-density, high-energy structure does not self-reproduce further than the first layer, the structured wall can have a long-range influence thanks to a sequence of templating, molding, and templating effects through the layers. We find that the walls also have an influence on the dynamics of the liquid, with a stronger effect near the attractive wall. In particular, we observe that the dynamics is largely heterogeneous (i) among the layers, as a consequence of the sequence of structures caused by the walls presence, and (ii) within the same layer, due to superdiffusive liquid veins within a frozen matrix of particles near the walls at low temperature and high density. Hence, the partial freezing of the first layer does not correspond necessarily to an effective reduction of the channel's section in terms of transport properties, as suggested by other authors.« less

Structural behavior and dynamics of an anomalous fluid between attractive and repulsive walls: templating, molding, and superdiffusion.

PubMed

Leoni, Fabio; Franzese, Giancarlo

2014-11-07

Confinement can modify the dynamics, the thermodynamics, and the structural properties of liquid water, the prototypical anomalous liquid. By considering a generic model for anomalous liquids, suitable for describing solutions of globular proteins, colloids, or liquid metals, we study by molecular dynamics simulations the effect that an attractive wall with structure and a repulsive wall without structure have on the phases, the crystal nucleation, and the dynamics of the fluid. We find that at low temperatures the large density of the attractive wall induces a high-density, high-energy structure in the first layer ("templating" effect). In turn, the first layer induces a "molding" effect on the second layer determining a structure with reduced energy and density, closer to the average density of the system. This low-density, low-energy structure propagates further through the layers by templating effect and can involve all the existing layers at the lowest temperatures investigated. Therefore, although the high-density, high-energy structure does not self-reproduce further than the first layer, the structured wall can have a long-range influence thanks to a sequence of templating, molding, and templating effects through the layers. We find that the walls also have an influence on the dynamics of the liquid, with a stronger effect near the attractive wall. In particular, we observe that the dynamics is largely heterogeneous (i) among the layers, as a consequence of the sequence of structures caused by the walls presence, and (ii) within the same layer, due to superdiffusive liquid veins within a frozen matrix of particles near the walls at low temperature and high density. Hence, the partial freezing of the first layer does not correspond necessarily to an effective reduction of the channel's section in terms of transport properties, as suggested by other authors.

The generation of post noon F3 layers over the dip equatorial location of Thiruvananthapuram- A new perspective

NASA Astrophysics Data System (ADS)

Mridula, N.; Pant, Tarun Kumar

2018-05-01

In the present paper, occurrence of post noon F3 layers over Thiruvananthapuram (8.5°N; 77°E; dip latitude ∼ 1.5 °N), a dip equatorial station in India have been investigated. F3 layers that occur beyond 13 IST and as observed using ground based ionosonde, for the years 2004-2008 have been studied. Our analysis shows that post noon F3 layers occur mostly on CEJ days around 16 IST to 18 IST. It is found that the time of the ionospheric E-region electric field reversal as inferred from collocated ground based magnetometer observations plays a crucial role in the generation of post noon F3 layers. In fact an early reversal of electric field emerged to be the necessary condition for the formation of post noon F3 layers. A time delay of three to 4 h is observed between the electric field reversal and the formation of F3 layer. It is proposed that this early reversal causes enhanced ionization over dip equatorial region, providing an additional ion drag to the flow of thermospheric zonal wind. This leads to accumulation of more ionization and neutrals culminating in the generation of post noon F3 layers as in the case of pre noon F3 layers. These results reveal that the generation of post noon F3 layers over the dip equatorial region is a natural consequence of the variability associated with the spatio-temporal evolution of EIA and prevailing thermospheric and ionospheric dynamics, and adds a new perspective to the present understanding.

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

PubMed

Wang, Baohe; Nie, Yan; Ma, Jing

2018-03-01

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

Detection of defects in laser welding of AZ31B magnesium alloy in zero-gap lap joint configuration by a real-time spectroscopic analysis

NASA Astrophysics Data System (ADS)

Harooni, Masoud; Carlson, Blair; Kovacevic, Radovan

2014-05-01

The effect of surface oxide layer existing at the lap-joint faying surface of magnesium sheets is investigated on the keyhole dynamics of the weld pool and weld bead qualities. It is observed that by removing the oxide layer from the faying surface of the lap joint, a high quality weld can be achieved in the laser welding process. However, the presence of an oxide layer deteriorates the quality of the weld by forming pores at the interface of the two overlapped sheets. The purpose of this paper is to identify the correlation between the integrity of the weld and the interaction between the laser and material. A spectroscopy sensor was applied to detect the spectra emitted from a plasma plume during the laser welding of AZ31B magnesium alloy in a zero-gap lap joint configuration. The electron temperature was calculated by applying a Boltzmann plot method based on the detected spectra, and the correlation between the pore formation and the spectral signals was studied. The laser molten pool and the keyhole condition were monitored in real-time by a high speed charge-coupled device (CCD) camera. A green laser was used as an illumination source in order to detect the influence of the oxide layer on the dynamic behavior of the molten pool. Results revealed that the detected spectrum and weld defects had a meaningful correlation for real-time monitoring of the weld quality during laser welding of magnesium alloys.

Free energy barriers for escape of water molecules from protein hydration layer.

PubMed

Roy, Susmita; Bagchi, Biman

2012-03-08

Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these "slow" water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface.

The Use of a Mesoscale Climate Model to Validate the Nocturnal Carbon Flux over a Forested Site

NASA Astrophysics Data System (ADS)

Werth, D.; Parker, M.; Kurzeja, R.; Leclerc, M.; Watson, T.

2007-12-01

The Savannah River National Laboratory is initiating a comprehensive carbon dioxide monitoring and modeling program in collaboration with the University of Georgia and the Brookhaven National Laboratory. One of the primary goals is to study the dynamics of carbon dioxide in the stable nocturnal boundary layer (NBL) over a forested area of the Savannah River Site in southwest South Carolina. In the nocturnal boundary layer (NBL), eddy flux correlation is less effective in determining the release of CO2 due to respiration. Theoretically, however, the flux can be inferred by measuring the build up of CO2 in the stable layer throughout the night. This method of monitoring the flux will be validated and studied in more detail with both observations and the results of a high-resolution regional climate model. The experiment will involve two phases. First, an artificial tracer will be released into the forest boundary layer and observed through an array of sensors and at a flux tower. The event will be simulated with the RAMS climate model run at very high resolution. Ideally, the tracer will remain trapped within the stable layer and accumulate at rates which will allow us to infer the release rate, and this should compare well to the actual release rate. If an unknown mechanism allows the tracer to escape, the model simulation would be used to reveal it. In the second phase, carbon fluxes will be measured overnight through accumulation in the overlying layer. The RAMS model will be coupled with the SiB carbon model to simulate the nocturnal cycle of carbon dynamics, and this will be compared to the data collected during the night. As with the tracer study, the NBL method of flux measurement will be validated against the model. The RAMS-SiB coupled model has been run over the SRS at high-resolution to simulate the NBL, and results from simulations of both phases of the project will be presented.

Active constrained layer damping of geometrically nonlinear vibrations of functionally graded plates using piezoelectric fiber-reinforced composites

NASA Astrophysics Data System (ADS)

Panda, Satyajit; Ray, M. C.

2008-04-01

In this paper, a geometrically nonlinear dynamic analysis has been presented for functionally graded (FG) plates integrated with a patch of active constrained layer damping (ACLD) treatment and subjected to a temperature field. The constraining layer of the ACLD treatment is considered to be made of the piezoelectric fiber-reinforced composite (PFRC) material. The temperature field is assumed to be spatially uniform over the substrate plate surfaces and varied through the thickness of the host FG plates. The temperature-dependent material properties of the FG substrate plates are assumed to be graded in the thickness direction of the plates according to a power-law distribution while the Poisson's ratio is assumed to be a constant over the domain of the plate. The constrained viscoelastic layer of the ACLD treatment is modeled using the Golla-Hughes-McTavish (GHM) method. Based on the first-order shear deformation theory, a three-dimensional finite element model has been developed to model the open-loop and closed-loop nonlinear dynamics of the overall FG substrate plates under the thermal environment. The analysis suggests the potential use of the ACLD treatment with its constraining layer made of the PFRC material for active control of geometrically nonlinear vibrations of FG plates in the absence or the presence of the temperature gradient across the thickness of the plates. It is found that the ACLD treatment is more effective in controlling the geometrically nonlinear vibrations of FG plates than in controlling their linear vibrations. The analysis also reveals that the ACLD patch is more effective for controlling the nonlinear vibrations of FG plates when it is attached to the softest surface of the FG plates than when it is bonded to the stiffest surface of the plates. The effect of piezoelectric fiber orientation in the active constraining PFRC layer on the damping characteristics of the overall FG plates is also discussed.

Focus: Structure and dynamics of the interfacial layer in polymer nanocomposites with attractive interactions

DOE PAGES

Cheng, Shiwang; Carroll, Bobby; Bocharova, Vera; ...

2017-03-30

In recent years it has become clear that the interfacial layer formed around nanoparticles in polymer nanocomposites (PNCs) is critical for controlling their macroscopic properties. The interfacial layer occupies a significant volume fraction of the polymer matrix in PNCs and creates strong intrinsic heterogeneity in their structure and dynamics. In this paper, we focus on analysis of the structure and dynamics of the interfacial region in model PNCs with well-dispersed, spherical nanoparticles with attractive interactions. First, we discuss several experimental techniques that provide structural and dynamic information on the interfacial region in PNCs. Then, we discuss the role of variousmore » microscopic parameters in controlling structure and dynamics of the interfacial layer. The analysis presented emphasizes the importance of the polymer-nanoparticle interactions for the slowing down dynamics in the interfacial region, while the thickness of the interfacial layer appears to be dependent on chain rigidity, and has been shown to increase with cooling upon approaching the glass transition. Aside from chain rigidity and polymer-nanoparticle interactions, the interfacial layer properties are also affected by the molecular weight of the polymer and the size of the nanoparticles. Finally, in the last part of this focus article, we emphasize the important challenges in the field of polymer nanocomposites and a potential analogy with the behavior observed in thin films.« less

Functional Organization and Dynamic Activity in the Superior Colliculus of the Echolocating Bat, Eptesicus fuscus.

PubMed

Wohlgemuth, Melville J; Kothari, Ninad B; Moss, Cynthia F

2018-01-03

Sensory-guided behaviors require the transformation of sensory information into task-specific motor commands. Prior research on sensorimotor integration has emphasized visuomotor processes in the context of simplified orienting movements in controlled laboratory tasks rather than an animal's more complete, natural behavioral repertoire. Here, we conducted a series of neural recording experiments in the midbrain superior colliculus (SC) of echolocating bats engaged in a sonar target-tracking task that invoked dynamic active sensing behaviors. We hypothesized that SC activity in freely behaving animals would reveal dynamic shifts in neural firing patterns within and across sensory, sensorimotor, and premotor layers. We recorded neural activity in the SC of freely echolocating bats (three females and one male) and replicated the general trends reported in other species with sensory responses in the dorsal divisions and premotor activity in ventral divisions of the SC. However, within this coarse functional organization, we discovered that sensory and motor neurons are comingled within layers throughout the volume of the bat SC. In addition, as the bat increased pulse rate adaptively to increase resolution of the target location with closing distance, the activity of sensory and vocal premotor neurons changed such that auditory response times decreased, and vocal premotor lead times shortened. This finding demonstrates that SC activity can be modified dynamically in concert with adaptive behaviors and suggests that an integrated functional organization within SC laminae supports rapid and local integration of sensory and motor signals for natural, adaptive behaviors. SIGNIFICANCE STATEMENT Natural sensory-guided behaviors involve the rapid integration of information from the environment to direct flexible motor actions. The vast majority of research on sensorimotor integration has used artificial stimuli and simplified behaviors, leaving open questions about nervous system function in the context of natural tasks. Our work investigated mechanisms of dynamic sensorimotor feedback control by analyzing patterns of neural activity in the midbrain superior colliculus (SC) of an echolocating bat tracking and intercepting moving prey. Recordings revealed that sensory and motor neurons comingle within laminae of the SC to support rapid sensorimotor integration. Further, we discovered that neural activity in the bat SC changes with dynamic adaptations in the animal's echolocation behavior. Copyright © 2018 the authors 0270-6474/18/380245-12$15.00/0.

Direct observation of a single nanoparticle-ubiquitin corona formation

NASA Astrophysics Data System (ADS)

Ding, Feng; Radic, Slaven; Chen, Ran; Chen, Pengyu; Geitner, Nicholas K.; Brown, Jared M.; Ke, Pu Chun

2013-09-01

The advancement of nanomedicine and the increasing applications of nanoparticles in consumer products have led to administered biological exposure and unintentional environmental accumulation of nanoparticles, causing concerns over the biocompatibility and sustainability of nanotechnology. Upon entering physiological environments, nanoparticles readily assume the form of a nanoparticle-protein corona that dictates their biological identity. Consequently, understanding the structure and dynamics of a nanoparticle-protein corona is essential for predicting the fate, transport, and toxicity of nanomaterials in living systems and for enabling the vast applications of nanomedicine. Here we combined multiscale molecular dynamics simulations and complementary experiments to characterize the silver nanoparticle-ubiquitin corona formation. Notably, ubiquitins competed with citrates for the nanoparticle surface, governed by specific electrostatic interactions. Under a high protein/nanoparticle stoichiometry, ubiquitins formed a multi-layer corona on the particle surface. The binding exhibited an unusual stretched-exponential behavior, suggesting a rich binding kinetics. Furthermore, the binding destabilized the α-helices while increasing the β-sheet content of the proteins. This study revealed the atomic and molecular details of the structural and dynamic characteristics of nanoparticle-protein corona formation.The advancement of nanomedicine and the increasing applications of nanoparticles in consumer products have led to administered biological exposure and unintentional environmental accumulation of nanoparticles, causing concerns over the biocompatibility and sustainability of nanotechnology. Upon entering physiological environments, nanoparticles readily assume the form of a nanoparticle-protein corona that dictates their biological identity. Consequently, understanding the structure and dynamics of a nanoparticle-protein corona is essential for predicting the fate, transport, and toxicity of nanomaterials in living systems and for enabling the vast applications of nanomedicine. Here we combined multiscale molecular dynamics simulations and complementary experiments to characterize the silver nanoparticle-ubiquitin corona formation. Notably, ubiquitins competed with citrates for the nanoparticle surface, governed by specific electrostatic interactions. Under a high protein/nanoparticle stoichiometry, ubiquitins formed a multi-layer corona on the particle surface. The binding exhibited an unusual stretched-exponential behavior, suggesting a rich binding kinetics. Furthermore, the binding destabilized the α-helices while increasing the β-sheet content of the proteins. This study revealed the atomic and molecular details of the structural and dynamic characteristics of nanoparticle-protein corona formation. Electronic supplementary information (ESI) available: Experimental and computational methods as well as supporting figures. See DOI: 10.1039/c3nr02147e

Anisotropic attosecond charge carrier dynamics and layer decoupling in quasi-2D layered SnS 2

DOE PAGES

Eads, Calley N.; Bandak, Dmytro; Neupane, Mahesh R.; ...

2017-11-08

Strong quantum confinement effects lead to striking new physics in two-dimensional materials such as graphene or transition metal dichalcogenides. While spectroscopic fingerprints of such quantum confinement have been demonstrated widely, the consequences for carrier dynamics are at present less clear, particularly on ultrafast timescales. This is important for tailoring, probing, and understanding spin and electron dynamics in layered and two-dimensional materials even in cases where the desired bandgap engineering has been achieved. Here in this paper we show by means of core–hole clock spectroscopy that SnS 2 exhibits spindependent attosecond charge delocalization times (τ deloc) for carriers confined within amore » layer, τ deloc < 400 as, whereas interlayer charge delocalization is dynamically quenched in excess of a factor of 10, τ deloc > 2.7 fs. These layer decoupling dynamics are a direct consequence of strongly anisotropic screening established within attoseconds, and demonstrate that important two-dimensional characteristics are also present in bulk crystals of van der Waalslayered materials, at least on ultrafast timescales.« less

Passive scalars chaotic dynamics induced by two vortices in a two-layer geophysical flow with shear and rotation

NASA Astrophysics Data System (ADS)

Ryzhov, Eugene

2015-11-01

Vortex motion in shear flows is of great interest from the point of view of nonlinear science, and also as an applied problem to predict the evolution of vortices in nature. Considering applications to the ocean and atmosphere, it is well-known that these media are significantly stratified. The simplest way to take stratification into account is to deal with a two-layer flow. In this case, vortices perturb the interface, and consequently, the perturbed interface transits the vortex influences from one layer to another. Our aim is to investigate the dynamics of two point vortices in an unbounded domain where a shear and rotation are imposed as the leading order influence from some generalized perturbation. The two vortices are arranged within the bottom layer, but an emphasis is on the upper-layer fluid particle motion. Point vortices induce singular velocity fields in the layer they belong to, however, in the other layers of a multi-layer flow, they induce regular velocity fields. The main feature is that singular velocity fields prohibit irregular dynamics in the vicinity of the singular points, but regular velocity fields, provided optimal conditions, permit irregular dynamics to extend almost in every point of the corresponding phase space.

Developments in ambient noise analysis for the characterization of dynamic response of slopes to seismic shaking

NASA Astrophysics Data System (ADS)

Del Gaudio, Vincenzo; Wasowski, Janusz

2016-04-01

In the last few decades, we have witnessed a growing awareness of the role of site dynamic response to seismic shaking in slope failures during earthquakes. Considering the time and costs involved in acquiring accelerometer data on landslide prone slopes, the analysis of ambient noise offers a profitable investigative alternative. Standard procedures of ambient noise analysis, according to the technique known as HVNR or Nakamura's method, were originally devised to interpret data under simple site conditions similar to 1D layering (flat horizontal layering infinitely extended). In such cases, conditions of site amplification, characterized by a strong impedance contrast between a soft surface layer and a stiff bedrock, result in a single pronounced isotropic maximum of spectral ratios between horizontal and vertical component of ambient noise. However, previous studies have shown that the dynamic response of slopes affected by landslides is rather complex, being characterized by multiple resonance peaks with directional variability, thus, the use of standard techniques can encounter difficulties in providing reliable information. A new approach of data analysis has recently been proposed to exploit the potential of information content of Rayleigh waves present in ambient noise, with regard to the identification of frequency and orientation of directional resonance. By exploiting ground motion ellipticity this approach can also provide information on vertical distribution of S-wave velocity, which controls site amplification factors. The method, based on the identification of Rayleigh wave packets from instantaneous polarization properties of ambient noise, was first tested using synthetic signals in order to optimize the data processing system. Then the improved processing scheme is adopted to re-process and re-interpret the ambient noise data acquired on landslide prone slopes around Caramanico Terme (central Italy), at sites monitored also with accelerometer stations. The comparison of ambient noise analysis results with the outcomes of accelerometer monitoring reveals potential and limits of the new method for the investigations on slope dynamic response.

Conformational Dynamics of Mechanically Compliant DNA Nanostructures from Coarse-Grained Molecular Dynamics Simulations.

PubMed

Shi, Ze; Castro, Carlos E; Arya, Gaurav

2017-05-23

Structural DNA nanotechnology, the assembly of rigid 3D structures of complex yet precise geometries, has recently been used to design dynamic, mechanically compliant nanostructures with tunable equilibrium conformations and conformational distributions. Here we use coarse-grained molecular dynamics simulations to provide insights into the conformational dynamics of a set of mechanically compliant DNA nanostructures-DNA hinges that use single-stranded DNA "springs" to tune the equilibrium conformation of a layered double-stranded DNA "joint" connecting two stiff "arms" constructed from DNA helix bundles. The simulations reproduce the experimentally measured equilibrium angles between hinge arms for a range of hinge designs. The hinges are found to be structurally stable, except for some fraying of the open ends of the DNA helices comprising the hinge arms and some loss of base-pairing interactions in the joint regions coinciding with the crossover junctions, especially in hinges designed to exhibit a small bending angle that exhibit large local stresses resulting in strong kinks in their joints. Principal component analysis reveals that while the hinge dynamics are dominated by bending motion, some twisting and sliding of hinge arms relative to each other also exists. Forced deformation of the hinges reveals distinct bending mechanisms for hinges with short, inextensible springs versus those with longer, more extensible springs. Lastly, we introduce an approach for rapidly predicting equilibrium hinge angles from individual force-deformation behaviors of its single- and double-stranded DNA components. Taken together, these results demonstrate that coarse-grained modeling is a promising approach for designing, predicting, and studying the dynamics of compliant DNA nanostructures, where conformational fluctuations become important, multiple deformation mechanisms exist, and continuum approaches may not yield accurate properties.

Local Helioseismology of Emerging Active Regions: A Case Study

NASA Astrophysics Data System (ADS)

Kosovichev, Alexander G.; Zhao, Junwei; Ilonidis, Stathis

2018-04-01

Local helioseismology provides a unique opportunity to investigate the subsurface structure and dynamics of active regions and their effect on the large-scale flows and global circulation of the Sun. We use measurements of plasma flows in the upper convection zone, provided by the Time-Distance Helioseismology Pipeline developed for analysis of solar oscillation data obtained by Helioseismic and Magnetic Imager (HMI) on Solar Dynamics Observatory (SDO), to investigate the subsurface dynamics of emerging active region NOAA 11726. The active region emergence was detected in deep layers of the convection zone about 12 hours before the first bipolar magnetic structure appeared on the surface, and 2 days before the emergence of most of the magnetic flux. The speed of emergence determined by tracking the flow divergence with depth is about 1.4 km/s, very close to the emergence speed in the deep layers. As the emerging magnetic flux becomes concentrated in sunspots local converging flows are observed beneath the forming sunspots. These flows are most prominent in the depth range 1-3 Mm, and remain converging after the formation process is completed. On the larger scale converging flows around active region appear as a diversion of the zonal shearing flows towards the active region, accompanied by formation of a large-scale vortex structure. This process occurs when a substantial amount of the magnetic flux emerged on the surface, and the converging flow pattern remains stable during the following evolution of the active region. The Carrington synoptic flow maps show that the large-scale subsurface inflows are typical for active regions. In the deeper layers (10-13 Mm) the flows become diverging, and surprisingly strong beneath some active regions. In addition, the synoptic maps reveal a complex evolving pattern of large-scale flows on the scale much larger than supergranulation

Superconductivity of Cu/CuOx interface formed by shock-wave pressure

NASA Astrophysics Data System (ADS)

Shakhray, D. V.; Avdonin, V. V.; Palnichenko, A. V.

2016-11-01

A mixture of powdered Cu and CuO has been subjected to shock-wave pressure of 350 kbar with following quenching of the vacuum-encapsulated product to 77 K. The ac magnetic susceptibility measurements of the samples have revealed metastable superconductivity with Tc ≈ 19 K, characterized by glassy dynamics of the shielding currents below Tc . Comparison of the ac susceptibility and the DC magnetization measurements infers that the superconductivity arises within the granular interfacial layer formed between metallic Cu and its oxides due to the shock-wave treatment.

Crossover of two power laws in the anomalous diffusion of a two lipid membrane

NASA Astrophysics Data System (ADS)

Bakalis, Evangelos; Höfinger, Siegfried; Venturini, Alessandro; Zerbetto, Francesco

2015-06-01

Molecular dynamics simulations of a bi-layer membrane made by the same number of 1-palmitoyl-2-oleoyl-glycero-3-phospho-ethanolamine and palmitoyl-oleoyl phosphatidylserine lipids reveal sub-diffusional motion, which presents a crossover between two different power laws. Fractional Brownian motion is the stochastic mechanism that governs the motion in both regimes. The location of the crossover point is justified with simple geometrical arguments and is due to the activation of the mechanism of circumrotation of lipids about each other.

Crossover of two power laws in the anomalous diffusion of a two lipid membrane

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

Bakalis, Evangelos, E-mail: ebakalis@gmail.com, E-mail: francesco.zerbetto@unibo.it; Höfinger, Siegfried; Zerbetto, Francesco, E-mail: ebakalis@gmail.com, E-mail: francesco.zerbetto@unibo.it

2015-06-07

Molecular dynamics simulations of a bi-layer membrane made by the same number of 1-palmitoyl-2-oleoyl-glycero-3-phospho-ethanolamine and palmitoyl-oleoyl phosphatidylserine lipids reveal sub-diffusional motion, which presents a crossover between two different power laws. Fractional Brownian motion is the stochastic mechanism that governs the motion in both regimes. The location of the crossover point is justified with simple geometrical arguments and is due to the activation of the mechanism of circumrotation of lipids about each other.

Crossover of two power laws in the anomalous diffusion of a two lipid membrane.

PubMed

Bakalis, Evangelos; Höfinger, Siegfried; Venturini, Alessandro; Zerbetto, Francesco

2015-06-07

Molecular dynamics simulations of a bi-layer membrane made by the same number of 1-palmitoyl-2-oleoyl-glycero-3-phospho-ethanolamine and palmitoyl-oleoyl phosphatidylserine lipids reveal sub-diffusional motion, which presents a crossover between two different power laws. Fractional Brownian motion is the stochastic mechanism that governs the motion in both regimes. The location of the crossover point is justified with simple geometrical arguments and is due to the activation of the mechanism of circumrotation of lipids about each other.

A numerical evaluation of the dynamical systems approach to wall layer turbulence

NASA Technical Reports Server (NTRS)

Berkooz, Gal

1990-01-01

This work attempts to test predictions based on the Dynamical Systems approach to Wall Layer Turbulence. We analyze the Dynamical Systems model for the nonlinear interaction mechanisms between the coherent structures and deduce qualitative behavior as expected. We then test for this behavior in data sets from D.N.S. The agreement is good, given the suboptimal conditions for the test. We discuss implications of this test and work to be done to deepen the understanding of control of turbulent boundary layers.

Schottky solar cell using few-layered transition metal dichalcogenides toward large-scale fabrication of semitransparent and flexible power generator.

PubMed

Akama, Toshiki; Okita, Wakana; Nagai, Reito; Li, Chao; Kaneko, Toshiro; Kato, Toshiaki

2017-09-20

Few-layered transition metal dichalcogenides (TMDs) are known as true two-dimensional materials, with excellent semiconducting properties and strong light-matter interaction. Thus, TMDs are attractive materials for semitransparent and flexible solar cells for use in various applications. Hoewver, despite the recent progress, the development of a scalable method to fabricate semitransparent and flexible solar cells with mono- or few-layered TMDs remains a crucial challenge. Here, we show easy and scalable fabrication of a few-layered TMD solar cell using a Schottky-type configuration to obtain a power conversion efficiency (PCE) of approximately 0.7%, which is the highest value reported with few-layered TMDs. Clear power generation was also observed for a device fabricated on a large SiO 2 and flexible substrate, demonstrating that our method has high potential for scalable production. In addition, systematic investigation revealed that the PCE and external quantum efficiency (EQE) strongly depended on the type of photogenerated excitons (A, B, and C) because of different carrier dynamics. Because high solar cell performance along with excellent scalability can be achieved through the proposed process, our fabrication method will contribute to accelerating the industrial use of TMDs as semitransparent and flexible solar cells.

Hydrogen jet combustion in a scramjet combustor with the rearwall-expansion cavity

NASA Astrophysics Data System (ADS)

Zhang, Yan-Xiang; Wang, Zhen-Guo; Sun, Ming-Bo; Yang, Yi-Xin; Wang, Hong-Bo

2018-03-01

This study is carried out to experimentally investigate the combustion characteristics of the hydrogen jet flame stabilized by the rearwall-expansion cavity in a model scramjet combustor. The flame distributions are characterized by the OH* spontaneous emission images, and the dynamic features of the flames are studied through the high speed framing of the flame luminosity. The combustion modes are further analyzed based on the visual flame structure and wall pressure distributions. Under the present conditions, the combustion based on the rearwall-expansion cavity appears in two distinguished modes - the typical cavity shear-layer stabilized combustion mode and the lifted-shear-layer stabilized combustion mode. In contrast with the shear-layer stabilized mode, the latter holds stronger flame. The transition from shear-layer stabilized combustion mode to lifted-shear-layer stabilized mode usually occurs when the equivalence ratio is high enough. While the increases of the offset ratio and upstream injection distance both lead to weaker jet-cavity interactions, cause longer ignition delay, and thus delay the mode transition. The results reveal that the rearwall-expansion cavity with an appropriate offset ratio should be helpful in delaying mode transition and preventing thermal choke, and meanwhile just brings minor negative impact on the combustion stability and efficiency.

In silico studies of the properties of water hydrating a small protein

NASA Astrophysics Data System (ADS)

Sinha, Sudipta Kumar; Jana, Madhurima; Chakraborty, Kausik; Bandyopadhyay, Sanjoy

2014-12-01

Atomistic molecular dynamics simulation of an aqueous solution of the small protein HP-36 has been carried out with explicit solvent at room temperature. Efforts have been made to explore the influence of the protein on the relative packing and ordering of water molecules around its secondary structures, namely, three α-helices. The calculations reveal that the inhomogeneous water ordering and density distributions around the helices are correlated with their relative hydrophobicity. Importantly, we have identified the existence of a narrow relatively dehydrated region containing randomly organized "quasi-free" water molecules beyond the first layer of "bound" waters at the protein surface. These water molecules with relatively weaker binding energies form the transition state separating the "bound" and "free" water molecules at the interface. Further, increased contribution of solid-like caging motions of water molecules around the protein is found to be responsible for reduced fluidity of the hydration layer. Interestingly, we notice that the hydration layer of helix-3 is more fluidic with relatively higher entropy as compared to the hydration layers of the other two helical segments. Such characteristics of helix-3 hydration layer correlate well with the activity of HP-36, as helix-3 contains the active site of the protein.

Performance of WRF for Simulation of Mesoscale Meteorological Characteristics for Air Quality Assessment over Tropical Coastal City, Chennai

NASA Astrophysics Data System (ADS)

Madala, Srikanth; Srinivas, C. V.; Satyanarayana, A. N. V.

2018-01-01

The land-sea breezes (LSBs) play an important role in transporting air pollution from urban areas on the coast. In this study, the Advanced Research WRF (ARW) mesoscale model is used for predicting boundary layer features to understand the transport of pollution in different seasons over the coastal region of Chennai in Southern India. Sensitivity experiments are conducted with two non-local [Yonsei University (YSU) and Asymmetric Convective Model version 2 (ACM2)] and three turbulence kinetic energy (TKE) closure [Mellor-Yamada-Nakanishi and Niino Level 2.5 (MYNN2) and Mellor-Yamada-Janjic (MYJ) and quasi-normal scale elimination (QNSE)], planetary boundary layer (PBL) parameterization schemes for simulating the thermodynamic structure, and low-level atmospheric flow in different seasons. Comparison of simulations with observations from a global positioning system (GPS) radiosonde, meteorological tower, automated weather stations, and Doppler weather radar (DWR)-derived wind data reveals that the characteristics of LSBs vary widely in different seasons and are more prominent during the pre-monsoon and monsoon seasons (March-September) with large horizontal and vertical extents compared to the post-monsoon and winter seasons. The qualitative and quantitative results indicate that simulations with ACM2 followed by MYNN2 and YSU produced various features of the LSBs, boundary layer parameters and the thermo-dynamical structure in better agreement with observations than other tested physical parameterization schemes. Simulations revealed seasonal variation of onset time, vertical extent of LSBs, and mixed layer depth, which would influence the air pollution dispersion in different seasons over the study region.

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

PubMed

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

2006-08-15

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

Prediction of unsaturated flow and water backfill during infiltration in layered soils

NASA Astrophysics Data System (ADS)

Cui, Guotao; Zhu, Jianting

2018-02-01

We develop a new analytical infiltration model to determine water flow dynamics around layer interfaces during infiltration process in layered soils. The model mainly involves the analytical solutions to quadratic equations to determine the flux rates around the interfaces. Active water content profile behind the wetting front is developed based on the solution of steady state flow to dynamically update active parameters in sharp wetting front infiltration equations and to predict unsaturated flow in coarse layers before the front reaches an impeding fine layer. The effect of water backfill to saturate the coarse layers after the wetting front encounters the impeding fine layer is analytically expressed based on the active water content profiles. Comparison to the numerical solutions of the Richards equation shows that the new model can well capture water dynamics in relation to the arrangement of soil layers. The steady state active water content profile can be used to predict the saturation state of all layers when the wetting front first passes through these layers during the unsteady infiltration process. Water backfill effect may occur when the unsaturated wetting front encounters a fine layer underlying a coarse layer. Sensitivity analysis shows that saturated hydraulic conductivity is the parameter dictating the occurrence of unsaturated flow and water backfill and can be used to represent the coarseness of soil layers. Water backfill effect occurs in coarse layers between upper and lower fine layers when the lower layer is not significantly coarser than the upper layer.

Reaction-diffusion-like formalism for plastic neural networks reveals dissipative solitons at criticality

NASA Astrophysics Data System (ADS)

Grytskyy, Dmytro; Diesmann, Markus; Helias, Moritz

2016-06-01

Self-organized structures in networks with spike-timing dependent synaptic plasticity (STDP) are likely to play a central role for information processing in the brain. In the present study we derive a reaction-diffusion-like formalism for plastic feed-forward networks of nonlinear rate-based model neurons with a correlation sensitive learning rule inspired by and being qualitatively similar to STDP. After obtaining equations that describe the change of the spatial shape of the signal from layer to layer, we derive a criterion for the nonlinearity necessary to obtain stable dynamics for arbitrary input. We classify the possible scenarios of signal evolution and find that close to the transition to the unstable regime metastable solutions appear. The form of these dissipative solitons is determined analytically and the evolution and interaction of several such coexistent objects is investigated.

Comparative omics and feeding manipulations in chicken indicate a shift of the endocrine role of visceral fat towards reproduction.

PubMed

Bornelöv, Susanne; Seroussi, Eyal; Yosefi, Sara; Benjamini, Sharon; Miyara, Shoval; Ruzal, Mark; Grabherr, Manfred; Rafati, Nima; Molin, Anna-Maja; Pendavis, Ken; Burgess, Shane C; Andersson, Leif; Friedman-Einat, Miriam

2018-04-26

The mammalian adipose tissue plays a central role in energy-balance control, whereas the avian visceral fat hardly expresses leptin, the key adipokine in mammals. Therefore, to assess the endocrine role of adipose tissue in birds, we compared the transcriptome and proteome between two metabolically different types of chickens, broilers and layers, bred towards efficient meat and egg production, respectively. Broilers and layer hens, grown up to sexual maturation under free-feeding conditions, differed 4.0-fold in weight and 1.6-fold in ovarian-follicle counts, yet the relative accumulation of visceral fat was comparable. RNA-seq and mass-spectrometry (MS) analyses of visceral fat revealed differentially expressed genes between broilers and layers, 1106 at the mRNA level (FDR ≤ 0.05), and 203 at the protein level (P ≤ 0.05). In broilers, Ingenuity Pathway Analysis revealed activation of the PTEN-pathway, and in layers increased response to external signals. The expression pattern of genes encoding fat-secreted proteins in broilers and layers was characterized in the RNA-seq and MS data, as well as by qPCR on visceral fat under free feeding and 24 h-feed deprivation. This characterization was expanded using available RNA-seq data of tissues from red junglefowl, and of visceral fat from broilers of different types. These comparisons revealed expression of new adipokines and secreted proteins (LCAT, LECT2, SERPINE2, SFTP1, ZP1, ZP3, APOV1, VTG1 and VTG2) at the mRNA and/or protein levels, with dynamic gene expression patterns in the selected chicken lines (except for ZP1; FDR/P ≤ 0.05) and feed deprivation (NAMPT, SFTPA1 and ZP3) (P ≤ 0.05). In contrast, some of the most prominent adipokines in mammals, leptin, TNF, IFNG, and IL6 were expressed at a low level (FPKM/RPKM< 1) and did not show differential mRNA expression neither between broiler and layer lines nor between fed vs. feed-deprived chickens. Our study revealed that RNA and protein expression in visceral fat changes with selective breeding, suggesting endocrine roles of visceral fat in the selected phenotypes. In comparison to gene expression in visceral fat of mammals, our findings points to a more direct cross talk of the chicken visceral fat with the reproductive system and lower involvement in the regulation of appetite, inflammation and insulin resistance.

Balancing high gain and bandwidth in multilayer organic photodetectors with tailored carrier blocking layers

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

Hammond, William T.; Mudrick, John P.; Xue, Jiangeng, E-mail: jxue@mse.ufl.edu

2014-12-07

We present detailed studies of the high photocurrent gain behavior in multilayer organic photodiodes containing tailored carrier blocking layers we reported earlier in a Letter [W. T. Hammond and J. Xue, Appl. Phys. Lett. 97, 073302 (2010)], in which a high photocurrent gain of up to 500 was attributed to the accumulation of photogenerated holes at the anode/organic active layer interface and the subsequent drastic increase in secondary electron injection from the anode. Here, we show that both the hole-blocking layer structure and layer thickness strongly influence the magnitude of the photocurrent gain. Temporal studies revealed that the frequency responsemore » of such devices is limited by three different processes with lifetimes of 10 μs, 202 μs, and 2.72 ms for the removal of confined holes, which limit the 3 dB bandwidth of these devices to 1.4 kHz. Furthermore, the composition in the mixed organic donor-acceptor photoactive layer affects both gain and bandwidth, which is attributed to the varying charge transport characteristics, and the optimal gain-bandwidth product is achieved with approximately 30% donor content. Finally, these devices show a high dynamic range of more than seven orders of magnitude, although the photocurrent shows a sublinear dependence on the incident optical power.« less

Characterisation of well-adhered ZrO2 layers produced on structured reactors using the sonochemical sol-gel method

NASA Astrophysics Data System (ADS)

Jodłowski, Przemysław J.; Chlebda, Damian K.; Jędrzejczyk, Roman J.; Dziedzicka, Anna; Kuterasiński, Łukasz; Sitarz, Maciej

2018-01-01

The aim of this study was to obtain thin zirconium dioxide coatings on structured reactors using the sonochemical sol-gel method. The preparation method of metal oxide layers on metallic structures was based on the synergistic combination of three approaches: the application of ultrasonic irradiation during the synthesis of Zr sol-gel based on a precursor solution containing zirconium(IV) n-propoxide, the addition of stabilszing agents, and the deposition of ZrO2 on the metallic structures using the dip-coating method. As a result, dense, uniform zirconium dioxide films were obtained on the FeCrAlloy supports. The structured reactors were characterised by various physicochemical methods, such as BET, AFM, EDX, XRF, XRD, XPS and in situ Raman spectroscopy. The results of the structural analysis by Raman and XPS spectroscopy confirmed that the metallic surface was covered by a ZrO2 layer without any impurities. SEM/EDX mapping revealed that the deposited ZrO2 covered the metallic support uniformly. The mechanical and high temperature tests showed that the developed ultrasound assisted sol-gel method is an efficient way to obtain thin, well-adhered zirconium dioxide layers on the structured reactors. The prepared metallic supports covered with thin ZrO2 layers may be a good alternative to layered structured reactors in several dynamics flow processes, for example for gas exhaust abatement.

Destiny of earthward streaming plasma in the plasmasheet boundary layer

NASA Technical Reports Server (NTRS)

Green, J. L.; Horwitz, J. L.

1986-01-01

The dynamics of the earth's magnetotail have been investigated, and it has become clear that the plasmasheet boundary layer field lines map into the Region I Field-Aligned Currents (FAC) of the auroral zone. It is pointed out that the role of earthward streaming ions in the plasmasheet boundary layer may be of fundamental importance in the understanding of magnetotail dynamics, auroral zone physics, and especially for ionospheric-magnetospheric interactions. The present paper has the objective to evaluate propagation characteristics for the earthward streaming ions observed in the plasmasheet boundary layer. An investigation is conducted of the propagation characteristics of protons in the plasmasheet boundary layer using independent single particle dynamics, and conclusions are discussed. The density of earthward streaming ions found in the plasmasheet boundary layer should include the ring current as well as the auroral zone precipitaiton and inner plasmasheet regions of the magnetosphere.

Magnetization dynamics in dilute Pd1-xFex thin films and patterned microstructures considered for superconducting electronics

NASA Astrophysics Data System (ADS)

Golovchanskiy, I. A.; Bolginov, V. V.; Abramov, N. N.; Stolyarov, V. S.; Ben Hamida, A.; Chichkov, V. I.; Roditchev, D.; Ryazanov, V. V.

2016-10-01

Motivated by recent burst of applications of ferromagnetic layers in superconducting digital and quantum elements, we study the magnetism of thin films and patterned microstructures of Pd0.99Fe0.01. In this diluted ferromagnetic system, a high-sensitivity ferromagnetic resonance (FMR) experiment reveals spectroscopic signatures of re-magnetization and enables the estimation of the saturation magnetization, the anisotropy field, and the Gilbert damping constant. The detailed analysis of FMR spectra links the observed unexpectedly high reduced anisotropy field (0.06-0.14) with the internal anisotropy, points towards a cluster nature of the ferromagnetism, and allows estimating characteristic time scale for magnetization dynamics in Pd-Fe based cryogenic memory elements to ( 3 - 5 ) × 10 - 9 s.

Nanoscale heterogeneity at the aqueous electrolyte-electrode interface

NASA Astrophysics Data System (ADS)

Limmer, David T.; Willard, Adam P.

2015-01-01

Using molecular dynamics simulations, we reveal emergent properties of hydrated electrode interfaces that while molecular in origin are integral to the behavior of the system across long times scales and large length scales. Specifically, we describe the impact of a disordered and slowly evolving adsorbed layer of water on the molecular structure and dynamics of the electrolyte solution adjacent to it. Generically, we find that densities and mobilities of both water and dissolved ions are spatially heterogeneous in the plane parallel to the electrode over nanosecond timescales. These and other recent results are analyzed in the context of available experimental literature from surface science and electrochemistry. We speculate on the implications of this emerging microscopic picture on the catalytic proficiency of hydrated electrodes, offering a new direction for study in heterogeneous catalysis at the nanoscale.

Probing Dirac fermion dynamics in topological insulator Bi2Se3 films with a scanning tunneling microscope.

PubMed

Song, Can-Li; Wang, Lili; He, Ke; Ji, Shuai-Hua; Chen, Xi; Ma, Xu-Cun; Xue, Qi-Kun

2015-05-01

Scanning tunneling microscopy and spectroscopy have been used to investigate the femtosecond dynamics of Dirac fermions in the topological insulator Bi2Se3 ultrathin films. At the two-dimensional limit, bulk electrons become quantized and the quantization can be controlled by the film thickness at a single quintuple layer level. By studying the spatial decay of standing waves (quasiparticle interference patterns) off steps, we measure directly the energy and film thickness dependence of the phase relaxation length lϕ and inelastic scattering lifetime τ of topological surface-state electrons. We find that τ exhibits a remarkable (E - EF)(-2) energy dependence and increases with film thickness. We show that the features revealed are typical for electron-electron scattering between surface and bulk states.

Dynamics of ultra-thin polystyrene with and without a (artificial) dead layer studied by resonance enhanced dynamic light scattering

NASA Astrophysics Data System (ADS)

Vianna, S. D. B.; Lin, F. Y.; Plum, M. A.; Duran, H.; Steffen, W.

2017-05-01

Using non-invasive, marker-free resonance enhanced dynamic light scattering, the dynamics of capillary waves on ultrathin polystyrene films' coupling to the viscoelastic and mechanical properties have been studied. The dynamics of ultrathin polymer films is still debated. In particular the question of what influence either the solid substrate and/or the fluid-gas interface has on the dynamics and the mechanical properties of films of glass forming liquids as polymers is in the focus of the present research. As a consequence, e.g., viscosity close to interfaces and thus the average viscosity of very thin films are prone to change. This study is focused on atactic, non-entangled polystyrene thin films on the gold surface. A slow dynamic mode was observed with Vogel-Fulcher-Tammann temperature dependence, slowing down with decreasing film thickness. We tentatively attribute this relaxation mode to overdamped capillary waves because of its temperature dependence and the dispersion with a wave vector which was found. No signs of a more mobile layer at the air/polymer interface or of a "dead layer" at the solid/polymer interface were found. Therefore we investigated the influence of an artificially created dead layer on the capillary wave dynamics by introducing covalently bound polystyrene polymer brushes as anchors. The dynamics was slowed down to a degree more than expected from theoretical work on the increase of density close to the solid liquid interface—instead of a "dead layer" of 2 nm, the interaction seems to extend more than 10 nm into the polymer.

Mucin Production Dynamics at the Surface of Corneal Epithelial Cells

NASA Astrophysics Data System (ADS)

Hormel, Tristan; Bhattacharjee, Tapomoy; Pitenis, Angela; Urueã+/-A, Juan; Sawyer, Gregory; Angelini, Thomas

Mucous layers form at the apical surface of many epithelia, protecting tissues from pathogens and environmental wear and damage. Although these layers contain many materials they are primarily composed of mucin glycoproteins, the concentration of which may be physiologically controlled to maintain specific rheological properties and to provide proper lubrication. Nowhere is this truer than at the surface of the eye's corneal epithelium, where the mucous layer must additionally achieve structural integrity to withstand the stresses created by blinking, and remain transparent in order to enable vision. I will present results on the growth dynamics, concentration, and rheology of a model corneal epithelial mucous layer, all of which can be viewed as important parameters at this interface. I will also discuss modulation of the mucous layer's dynamics with variation in environmental conditions. Alcon.

Surface roughness analysis of SiO2 for PECVD, PVD and IBD on different substrates

NASA Astrophysics Data System (ADS)

Amirzada, Muhammad Rizwan; Tatzel, Andreas; Viereck, Volker; Hillmer, Hartmut

2016-02-01

This study compares surface roughness of SiO2 thin layers which are deposited by three different processes (plasma-enhanced chemical vapor deposition, physical vapor deposition and ion beam deposition) on three different substrates (glass, Si and polyethylene naphthalate). Plasma-enhanced chemical vapor deposition (PECVD) processes using a wide range of deposition temperatures from 80 to 300 °C have been applied and compared. It was observed that the nature of the substrate does not influence the surface roughness of the grown layers very much. It is also perceived that the value of the surface roughness keeps on increasing as the deposition temperature of the PECVD process increases. This is due to the increase in the surface diffusion length with the rise in substrate temperature. The layers which have been deposited on Si wafer by ion beam deposition (IBD) process are found to be smoother as compared to the other two techniques. The layers which have been deposited on the glass substrates using PECVD reveal the highest surface roughness values in comparison with the other substrate materials and techniques. Different existing models describing the dynamics of clusters on surfaces are compared and discussed.

Chain Conformation and Dynamics in Spin-Assisted Weak Polyelectrolyte Multilayers

DOE PAGES

Zhuk, Aliaksandr; Selin, Victor; Zhuk, Iryna; ...

2015-03-13

In this paper, we report on the effect of the deposition technique on film layering, stability, and chain mobility in weak polyelectrolyte layer-by-layer (LbL) films. Ellipsometry and neutron reflectometry (NR) showed that shear forces arising during spin-assisted assembly lead to smaller amounts of adsorbed polyelectrolytes within LbL films, result in a higher degree of internal film order, and dramatically improve stability of assemblies in salt solutions as compared to dip-assisted LbL assemblies. The underlying flattening of polyelectrolyte chains in spin-assisted LbL films was also revealed as an increase in ionization degree of the assembled weak polyelectrolytes. As demonstrated by fluorescencemore » recovery after photobleaching (FRAP), strong binding between spin-deposited polyelectrolytes results in a significant slowdown of chain diffusion in salt solutions as compared to dip-deposited films. Moreover, salt-induced chain intermixing in the direction perpendicular to the substrate is largely inhibited in spin-deposited films, resulting in only subdiffusional (<2 Å) chain displacements even after 200 h exposure to 1 M NaCl solutions. Finally, this persistence of polyelectrolyte layering has important ramifications for multistage drug delivery and optical applications of LbL assemblies.« less

Ocean response to typhoons in the western North Pacific: Composite results from Argo data

NASA Astrophysics Data System (ADS)

Lin, Sheng; Zhang, Wen-Zhou; Shang, Shao-Ping; Hong, Hua-Sheng

2017-05-01

Composite structures of ocean temperature and salinity anomalies caused by tropical cyclones (TCs) or typhoons in the western North Pacific Ocean were obtained from Argo data. These structures were used to analyze ocean responses to typhoons and the dynamic mechanisms inherent in those responses with a particular focus on upwelling. TC-induced cooling is often strongly rightward-biased in the surface layer, and shifts toward the typhoon track at depths exceeding roughly 100 m. In the central water column within approximately 75 km of the typhoon track, subsurface warming predicted by vertical mixing is restrained and replaced by cooling due to upwelling. Upwelling contributes 15% on average to temperature cooling in the near surface layer (10-30 m), 84% in the subsurface layer (30-250 m) and 94% in the deep layer (250-600 m) during the period of 0.5-2.5 days after the typhoon's passage. It is suggested that the sea surface cooling effect of vertical mixing can be enhanced by the upwelling. The effect of upwelling is also prominent in the salinity response to typhoons. The composite results from the Argo data clearly reveal basic ocean responses to typhoons and indicate the important role of upwelling therein.

Dynamic characteristics of specialty composite structures with embedded damping layers

NASA Technical Reports Server (NTRS)

Saravanos, D. A.; Chamis, C. C.

1993-01-01

Damping mechanics for simulating the damped dynamic characteristics in specialty composite structures with compliant interlaminar damping layers are presented. Finite-element based mechanics incorporating a discrete layer (or layer-wise) laminate damping theory are utilized to represent general laminate configurations in terms of lay-up and fiber orientation angles, cross-sectional thickness, shape, and boundary conditions. Evaluations of the method with exact solutions and experimental data illustrate the accuracy of the method. Additional applications investigate the potential for significant damping enhancement in angle-ply composite laminates with cocured interlaminar damping layers.

Reynolds number trend of hierarchies and scale interactions in turbulent boundary layers.

PubMed

Baars, W J; Hutchins, N; Marusic, I

2017-03-13

Small-scale velocity fluctuations in turbulent boundary layers are often coupled with the larger-scale motions. Studying the nature and extent of this scale interaction allows for a statistically representative description of the small scales over a time scale of the larger, coherent scales. In this study, we consider temporal data from hot-wire anemometry at Reynolds numbers ranging from Re τ ≈2800 to 22 800, in order to reveal how the scale interaction varies with Reynolds number. Large-scale conditional views of the representative amplitude and frequency of the small-scale turbulence, relative to the large-scale features, complement the existing consensus on large-scale modulation of the small-scale dynamics in the near-wall region. Modulation is a type of scale interaction, where the amplitude of the small-scale fluctuations is continuously proportional to the near-wall footprint of the large-scale velocity fluctuations. Aside from this amplitude modulation phenomenon, we reveal the influence of the large-scale motions on the characteristic frequency of the small scales, known as frequency modulation. From the wall-normal trends in the conditional averages of the small-scale properties, it is revealed how the near-wall modulation transitions to an intermittent-type scale arrangement in the log-region. On average, the amplitude of the small-scale velocity fluctuations only deviates from its mean value in a confined temporal domain, the duration of which is fixed in terms of the local Taylor time scale. These concentrated temporal regions are centred on the internal shear layers of the large-scale uniform momentum zones, which exhibit regions of positive and negative streamwise velocity fluctuations. With an increasing scale separation at high Reynolds numbers, this interaction pattern encompasses the features found in studies on internal shear layers and concentrated vorticity fluctuations in high-Reynolds-number wall turbulence.This article is part of the themed issue 'Toward the development of high-fidelity models of wall turbulence at large Reynolds number'. © 2017 The Author(s).

Dynamic mechanical analysis and high strain-rate energy absorption characteristics of vertically aligned carbon nanotube reinforced woven fiber-glass composites

USDA-ARS?s Scientific Manuscript database

The dynamic mechanical behavior and energy absorption characteristics of nano-enhanced functionally graded composites, consisting of 3 layers of vertically aligned carbon nanotube (VACNT) forests grown on woven fiber-glass (FG) layer and embedded within 10 layers of woven FG, with polyester (PE) and...

A balanced water layer concept for subglacial hydrology in large scale ice sheet models

NASA Astrophysics Data System (ADS)

Goeller, S.; Thoma, M.; Grosfeld, K.; Miller, H.

2012-12-01

There is currently no doubt about the existence of a wide-spread hydrological network under the Antarctic ice sheet, which lubricates the ice base and thus leads to increased ice velocities. Consequently, ice models should incorporate basal hydrology to obtain meaningful results for future ice dynamics and their contribution to global sea level rise. Here, we introduce the balanced water layer concept, covering two prominent subglacial hydrological features for ice sheet modeling on a continental scale: the evolution of subglacial lakes and balance water fluxes. We couple it to the thermomechanical ice-flow model RIMBAY and apply it to a synthetic model domain inspired by the Gamburtsev Mountains, Antarctica. In our experiments we demonstrate the dynamic generation of subglacial lakes and their impact on the velocity field of the overlaying ice sheet, resulting in a negative ice mass balance. Furthermore, we introduce an elementary parametrization of the water flux-basal sliding coupling and reveal the predominance of the ice loss through the resulting ice streams against the stabilizing influence of less hydrologically active areas. We point out, that established balance flux schemes quantify these effects only partially as their ability to store subglacial water is lacking.

Near-body vorticity dynamics of a square cylinder subjected to an inline pulsatile free stream flow

NASA Astrophysics Data System (ADS)

Krishnan, Hrisheekesh; Agrawal, Amit; Sharma, Atul; Sheridan, John

2016-09-01

In the present work, the effect of an inflow sinusoidal excitation that is superimposed over the mean flow on the vortex-shedding characteristics of a square cylinder is studied. The frequency of pulsation is varied around the natural vortex-shedding frequency, and the amplitude of pulsation is varied moderately in comparison to the cylinder diameter, at a fixed Reynolds number (=100). A flow regime map is prepared and compared with the experimental results, which are available for a circular cylinder that is subjected to inline excitation. We correlate the spectra to the corresponding flow regime. Visualization of the vorticity contours reveals that the significant interaction of the base-region vorticities with the main shear layer vorticities is important in the mechanism of formation of the several vortex-shedding modes. The strength and sign of base region vorticity with respect to the shear layers has a fundamental role to play in the mechanism of formation. It is hypothesized that the similarity in vortex-shedding modes across different excitation types, bluff body geometry, and for different parameters is due to the similarity in the underlying vorticity dynamics.

Stationary bubble formation and cavity collapse in wedge-shaped hoppers

PubMed Central

Yagisawa, Yui; Then, Hui Zee; Okumura, Ko

2016-01-01

The hourglass is one of the apparatuses familiar to everyone, but reveals intriguing behaviors peculiar to granular materials, and many issues are remained to be explored. In this study, we examined the dynamics of falling sand in a special form of hourglass, i.e., a wedge-shaped hopper, when a suspended granular layer is stabilized to a certain degree. As a result, we found remarkably different dynamic regimes of bubbling and cavity. In the bubbling regime, bubbles of nearly equal size are created in the sand at a regular time interval. In the cavity regime, a cavity grows as sand beads fall before a sudden collapse of the cavity. Bubbling found here is quite visible to a level never discussed in the physics literature and the cavity regime is a novel phase, which is neither continuous, intermittent nor completely blocked phase. We elucidate the physical conditions necessary for the bubbling and cavity regimes and develop simple theories for the regimes to successfully explain the observed phenomena by considering the stability of a suspended granular layer and clogging of granular flow at the outlet of the hopper. The bubbling and cavity regimes could be useful for mixing a fluid with granular materials. PMID:27138747

Thermal characterization of static and dynamical properties of the confined molecular systems interacting through dispersion force.

PubMed

Ramos, Sergio Luis L M; Ogino, Michihiko; Oguni, Masaharu

2015-01-28

We investigated the thermal properties of liquid methylcyclohexane and racemic sec-butylcyclohexane, as representatives of a molecular system with only dispersion-force intermolecular interactions, confined in the pores (thickness/diameter d = 12, 6, 1.1 nm) of silica gels by adiabatic calorimetry. The results imply a heterogeneous picture for molecular aggregate under confinement consisting of an interfacial region and an inner pore one. In the vicinity of a glass-transition temperature T(g,bulk) of bulk liquid, two distinguishable relaxation phenomena were observed for the confined systems and their origins were attributed to the devitrification, namely glass transition, processes of (1) a layer of interfacial molecules adjacent to the pore walls and (2) the molecules located in the middle of the pore. A third glass-transition phenomenon was observed at lower temperatures and ascribed to a secondary relaxation process. The glass transition of the interfacial-layer molecules was found to proceed at temperatures rather above T(g,bulk), whereas that of the molecules located in the inner pore region occurred at temperatures below T(g,bulk). We discuss the reason why the molecules located in different places in the pores reveal the respectively different dynamical properties.

Kinematic, dynamic, and thermodynamic impacts of hook-echo hydrometeors, including explorations into the utilization of polarimetric radar data

NASA Astrophysics Data System (ADS)

Askelson, Mark Anthony

Recent studies have revealed that the thermodynamic properties of the rear flank downdraft (RFD) may dictate whether or not a supercell becomes tornadic. Since hydrometeors are thought to be an important driving force for the RFD, it is postulated that they may be important to its thermodynamic properties and, possibly, to tornadogenesis. The role hook-echo hydrometeors play in driving RFDs is investigated by estimating hook-echo hydrometeor types and amounts from polarimetric radar data and by using that information to drive a relatively simple downdraft model. Soundings for the individual cases are used to initialize the downdraft model in order to replicate the environments of the storms as closely as possible. Since this effort and others like it require the quantitative utilization of radar data, issues pertaining to this are explored. In addition to analyses of coordinate transformation equations and an innovative objective analysis technique for weather radar data, the difficult problem of response functions for arbitrary weight functions and data distributions was considered. A novel approach to this problem revealed that the local response function for distance dependent weighted averaging schemes is the complex conjugate of the normalized Fourier transform of the effective weight function. This facilitates new research avenues, especially regarding analyses of irregularly spaced data. Simulations of hydrometeor driven RFDs show that hydrometeor fields inferred from radar data are able to drive significant downdrafts without the influence of vertical perturbation pressure gradients. Moreover, they reveal that above the boundary layer supercell environments are relatively resistant to downdrafts whereas within the boundary layer they are generally supportive of downdrafts. It appears that in many supercell environments relatively large hail (≥1 cm in diameter) or vertical perturbation pressure gradients may be needed to drive deep midlevel downdrafts that penetrate into the boundary layer. Because the boundary layer is an important downdraft generation/intensification layer, its thetae profile appears to be important to the surface RFD thetae deficit and, consequently, to tornadogenesis. To further examine these issues, analyses using idealized soundings that represent multiple possible RFD environments and analyses of the complete set of VORTEX cases are planned.

Dynamics of Soil Properties and Plant Composition during Postagrogenic Evolution in Different Bioclimatic Zones

NASA Astrophysics Data System (ADS)

Telesnina, V. M.; Kurganova, I. N.; Lopes de Gerenyu, V. O.; Ovsepyan, L. A.; Lichko, V. I.; Ermolaev, A. M.; Mirin, D. M.

2017-12-01

The postagrogenic dynamics of acidity and some parameters of humus status have been studied in relation to the restoration of zonal vegetation in southern taiga (podzolic and soddy-podzolic soils ( Retisols)), coniferous-broadleaved (subtaiga) forest (gray forest soil ( Luvic Phaeozem)), and forest-steppe (gray forest soil ( Haplic Phaeozem)) subzones. The most significant transformation of the studied properties of soils under changing vegetation has been revealed for poor sandy soils of southern taiga. The degree of changes in the content and stocks of organic carbon, the enrichment of humus in nitrogen, and acidity in the 0- to 20-cm soil layer during the postagrogenic evolution decreases from north to south. The adequate reflection of soil physicochemical properties in changes of plant cover is determined by the climatic zone and the land use pattern. A correlation between the changes in the soil acidity and the portion of acidophilic species in the plant cover is revealed for the southern taiga subzone. A positive relationship is found between the content of organic carbon and the share of species preferring humus-rich soils in the forest-steppe zone.

Multi-Layer Arctic Mixed-Phase Clouds Simulated by a Cloud-Resolving Model: Comparison with ARM Observations and Sensitivity Experiments

NASA Technical Reports Server (NTRS)

Luo, Yali; Xu, Kuan-Man; Morrison, Hugh; McFarquhar, Greg M.; Wang, Zhien; Zhang, Gong

2007-01-01

A cloud-resolving model (CRM) is used to simulate the multiple-layer mixed-phase stratiform (MPS) clouds that occurred during a three-and-a-half day subperiod of the Department of Energy-Atmospheric Radiation Measurement Program s Mixed-Phase Arctic Cloud Experiment (M-PACE). The CRM is implemented with an advanced two-moment microphysics scheme, a state-of-the-art radiative transfer scheme, and a complicated third-order turbulence closure. Concurrent meteorological, aerosol, and ice nucleus measurements are used to initialize the CRM. The CRM is prescribed by time-varying large-scale advective tendencies of temperature and moisture and surface turbulent fluxes of sensible and latent heat. The CRM reproduces the occurrences of the single- and double-layer MPS clouds as revealed by the M-PACE observations. However, the simulated first cloud layer is lower and the second cloud layer thicker compared to observations. The magnitude of the simulated liquid water path agrees with that observed, but its temporal variation is more pronounced than that observed. As in an earlier study of single-layer cloud, the CRM also captures the major characteristics in the vertical distributions and temporal variations of liquid water content (LWC), total ice water content (IWC), droplet number concentration and ice crystal number concentration (nis) as suggested by the aircraft observations. However, the simulated mean values differ significantly from the observed. The magnitude of nis is especially underestimated by one order of magnitude. Sensitivity experiments suggest that the lower cloud layer is closely related to the surface fluxes of sensible and latent heat; the upper cloud layer is probably initialized by the large-scale advective cooling/moistening and maintained through the strong longwave (LW) radiative cooling near the cloud top which enhances the dynamical circulation; artificially turning off all ice-phase microphysical processes results in an increase in LWP by a factor of 3 due to interactions between the excessive LW radiative cooling and extra cloud water; heating caused by phase change of hydrometeors could affect the LWC and cloud top height by partially canceling out the LW radiative cooling. It is further shown that the resolved dynamical circulation appears to contribute more greatly to the evolution of the MPS cloud layers than the parameterized subgrid-scale circulation.

Nano-decoration of the Hemagglutinating Virus of Japan envelope (HVJ-E) using a layer-by-layer assembly technique.

PubMed

Okada, Takaharu; Uto, Koichiro; Sasai, Masao; Lee, Chun Man; Ebara, Mitsuhiro; Aoyagi, Takao

2013-06-18

In this study, we created a nanoscale layer of hyaluronic acid (HA) on the inactivated Hemagglutinating Virus of Japan envelope (HVJ-E) via a layer-by-layer (LbL) assembly technique for CD-44 targeted delivery. HVJ-E was selected as the template virus because it has shown a tumor-suppressing ability by eliciting inflammatory cytokine production in dendritic cells. Although it has been required to increase the tumor-targeting ability and reduce nonspecific binding because HVJ-E fuses with virtually all cells and induces hemagglutination in the bloodstream, complete modifications of single-envelope-type viruses with HA have been difficult. Therefore, we studied the surface ζ potential of HVJ-E at different pH values and carefully examined the deposition conditions for the first layer using three cationic polymers: poly-L-lysine (PLL), chitosan (CH), and glycol chitosan (GC). GC-coated HVJ-E particles showed the highest disperse ability under physiological pH and salt conditions without aggregation. An HA layer was then prepared via alternating deposition of HA and GC. The successive decoration of multilayers on HVJ-E has been confirmed by dynamic light scattering (DLS), ζ potentials, and transmission electron microscopy (TEM). An enzymatic degradation assay revealed that only the outermost HA layer was selectively degraded by hyaluronidase. However, entire layers were destabilized at lower pH. Therefore, the HA/GC-coated HVJ-E describe here can be thought of as a potential bomb for cancer immunotherapy because of the ability of targeting CD44 as well as the explosion of nanodecorated HA/GC layers at endosomal pH while preventing nonspecific binding at physiological pH and salt conditions such as in the bloodstream or normal tissues.

Unique Aspects of the Structure and Dynamics of Elementary Iβ Cellulose Microfibrils Revealed by Computational Simulations1[OPEN

PubMed Central

Oehme, Daniel P.; Downton, Matthew T.; Doblin, Monika S.; Wagner, John; Gidley, Michael J.; Bacic, Antony

2015-01-01

The question of how many chains an elementary cellulose microfibril contains is critical to understanding the molecular mechanism(s) of cellulose biosynthesis and regulation. Given the hexagonal nature of the cellulose synthase rosette, it is assumed that the number of chains must be a multiple of six. We present molecular dynamics simulations on three different models of Iβ cellulose microfibrils, 18, 24, and 36 chains, to investigate their structure and dynamics in a hydrated environment. The 36-chain model stays in a conformational space that is very similar to the initial crystalline phase, while the 18- and 24-chain models sample a conformational space different from the crystalline structure yet similar to conformations observed in recent high-temperature molecular dynamics simulations. Major differences in the conformations sampled between the different models result from changes to the tilt of chains in different layers, specifically a second stage of tilt, increased rotation about the O2-C2 dihedral, and a greater sampling of non-TG exocyclic conformations, particularly the GG conformation in center layers and GT conformation in solvent-exposed exocyclic groups. With a reinterpretation of nuclear magnetic resonance data, specifically for contributions made to the C6 peak, data from the simulations suggest that the 18- and 24-chain structures are more viable models for an elementary cellulose microfibril, which also correlates with recent scattering and diffraction experimental data. These data inform biochemical and molecular studies that must explain how a six-particle cellulose synthase complex rosette synthesizes microfibrils likely comprised of either 18 or 24 chains. PMID:25786828

The features of chlorophyll concentration long-standing dynamics in the ocean surface layer (comparison of czcs and seawifs data)

NASA Astrophysics Data System (ADS)

Shevyrnogov, A.; Vysotskaya, G.

To preserve biosphere and make its utilization expedient makes imperative to comprehend in depth long-standing dynamics of the primary production process on our planet. Variability of chlorophyll concentration in the ocean is one of the most important components of this process. However, hard access and large size of the water surface make its investigation labor-consuming. Besides, the dependence of primary production on high variability of hydrophysical phenomena in the ocean (fluctuations of currents, frontal zones, etc.) makes the location of points for measuring the chlorophyll concentration dynamics significant. In this work the long-standing changes in chlorophyll concentration in the surface layer of the ocean have been analyzed on the basis of the CZCS data for 7.5 years and the SeaWiFS data from 1997 to 2003. It was shown that the average chlorophyll concentration calculated at all investigated area is varied moderately. However when analyzing spatially local trends, it was detected that areas exist with stable rise and fall of chlorophyll concentration. Some interesting features of the long-standing dynamics of chlorophyll concentration several interesting features were found. There are the various directions of long-term trends (constant increase or decrease) that cannot be explained only by large-scale hydrological phenomena in the ocean (currents, upwellings etc.). The next feature is a difference between the trends revealed by using the CZCS data and the trends based on the SeaWiFS data. Thus, the obtained results allow the possibility of identification of the ocean biota role in the global biospheric gas exchange.

Coincident aboveground and belowground autonomous monitoring to quantify covariability in permafrost, soil, and vegetation properties in Arctic tundra

NASA Astrophysics Data System (ADS)

Dafflon, Baptiste; Oktem, Rusen; Peterson, John; Ulrich, Craig; Tran, Anh Phuong; Romanovsky, Vladimir; Hubbard, Susan S.

2017-06-01

Coincident monitoring of the spatiotemporal distribution of and interactions between land, soil, and permafrost properties is important for advancing our understanding of ecosystem dynamics. In this study, a novel monitoring strategy was developed to quantify complex Arctic ecosystem responses to the seasonal freeze-thaw-growing season conditions. The strategy exploited autonomous measurements obtained through electrical resistivity tomography to monitor soil properties, pole-mounted optical cameras to monitor vegetation dynamics, point probes to measure soil temperature, and periodic manual measurements of thaw layer thickness, snow thickness, and soil dielectric permittivity. The spatially and temporally dense monitoring data sets revealed several insights about tundra system behavior at a site located near Barrow, AK. In the active layer, the soil electrical conductivity (a proxy for soil water content) indicated an increasing positive correlation with the green chromatic coordinate (a proxy for vegetation vigor) over the growing season, with the strongest correlation (R = 0.89) near the typical peak of the growing season. Soil conductivity and green chromatic coordinate also showed significant positive correlations with thaw depth, which is influenced by soil and surface properties. In the permafrost, soil electrical conductivity revealed annual variations in solute concentration and unfrozen water content, even at temperatures well below 0°C in saline permafrost. These conditions may contribute to an acceleration of long-term thaw in Coastal permafrost regions. Demonstration of this first aboveground and belowground geophysical monitoring approach within an Arctic ecosystem illustrates its significant potential to remotely "visualize" permafrost, soil, and vegetation ecosystem codynamics in high resolution over field relevant scales.

The fate of the 2√3 × 2√3R(30°) silicene phase on Ag(111)

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

Liu, Zhi-Long; Wang, Mei-Xiao; Liu, Canhua, E-mail: canhualiu@sjtu.edu.cn, E-mail: depadova@ism.cnr.it, E-mail: guy.lelay@univ-amu.fr

2014-09-01

Silicon atoms deposited on Ag(111) produce various single layer silicene sheets with different buckling patterns and periodicities. Low temperature scanning tunneling microscopy reveals that one of the silicene sheets, the hypothetical √7 × √7 silicene structure, on 2√3 × 2√3 Ag(111), is inherently highly defective and displays no long-range order. Moreover, Auger and photoelectron spectroscopy measurements reveal its sudden death, to end, in a dynamic fating process at ∼300 °C. This result clarifies the real nature of the 2√3 × 2√3R(30°) silicene phase and thus helps to understand the diversity of the silicene sheets grown on Ag(111)

Properties of the Equatorial Magnetotail Flanks ˜50-200 RE Downtail

NASA Astrophysics Data System (ADS)

Artemyev, A. V.; Angelopoulos, V.; Runov, A.; Wang, C.-P.; Zelenyi, L. M.

2017-12-01

In space, thin boundaries separating plasmas with different properties serve as a free energy source for various plasma instabilities and determine the global dynamics of large-scale systems. In planetary magnetopauses and shock waves, classical examples of such boundaries, the magnetic field makes a significant contribution to the pressure balance and plasma dynamics. The configuration and properties of such boundaries have been well investigated and modeled. However, much less is known about boundaries that form between demagnetized plasmas where the magnetic field is not important for pressure balance. The most accessible example of such a plasma boundary is the equatorial boundary layer of the Earth's distant magnetotail. Rather, limited measurements since its first encounter in the late 1970s by the International Sun-Earth Explorer-3 spacecraft revealed the basic properties of this boundary, but its statistical properties and structure have not been studied to date. In this study, we use Geotail and Acceleration, Reconnection, Turbulence and Electrodynamics of the Moon's Interaction with the Sun (ARTEMIS) missions to investigate the equatorial boundary layer from lunar orbit (˜55 Earth radii, RE, downtail) to as far downtail as ˜200 RE. Although the magnetic field has almost no effect on the structure of the boundary layer, the layer separates well the hot, rarefied plasma sheet from dense cold magnetosheath plasmas. We suggest that the most important role in plasma separation is played by polarization electric fields, which modify the efficiency of magnetosheath ion penetration into the plasma sheet. We also show that the total energies (bulk flow plus thermal) of plasma sheet ions and magnetosheath ions are very similar; that is, magnetosheath ion thermalization (e.g., via ion scattering by magnetic field fluctuations) is sufficient to produce hot plasma sheet ions without any additional acceleration.

Molecular dynamics studies of interfacial water at the alumina surface.

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

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

2011-01-01

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

Dynamical processes and epidemic threshold on nonlinear coupled multiplex networks

NASA Astrophysics Data System (ADS)

Gao, Chao; Tang, Shaoting; Li, Weihua; Yang, Yaqian; Zheng, Zhiming

2018-04-01

Recently, the interplay between epidemic spreading and awareness diffusion has aroused the interest of many researchers, who have studied models mainly based on linear coupling relations between information and epidemic layers. However, in real-world networks the relation between two layers may be closely correlated with the property of individual nodes and exhibits nonlinear dynamical features. Here we propose a nonlinear coupled information-epidemic model (I-E model) and present a comprehensive analysis in a more generalized scenario where the upload rate differs from node to node, deletion rate varies between susceptible and infected states, and infection rate changes between unaware and aware states. In particular, we develop a theoretical framework of the intra- and inter-layer dynamical processes with a microscopic Markov chain approach (MMCA), and derive an analytic epidemic threshold. Our results suggest that the change of upload and deletion rate has little effect on the diffusion dynamics in the epidemic layer.

Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.

PubMed

Kessler, Jan; Elgabarty, Hossam; Spura, Thomas; Karhan, Kristof; Partovi-Azar, Pouya; Hassanali, Ali A; Kühne, Thomas D

2015-08-06

The structure and dynamics of the water/vapor interface is revisited by means of path-integral and second-generation Car-Parrinello ab initio molecular dynamics simulations in conjunction with an instantaneous surface definition [Willard, A. P.; Chandler, D. J. Phys. Chem. B 2010, 114, 1954]. In agreement with previous studies, we find that one of the OH bonds of the water molecules in the topmost layer is pointing out of the water into the vapor phase, while the orientation of the underlying layer is reversed. Therebetween, an additional water layer is detected, where the molecules are aligned parallel to the instantaneous water surface.

Motor Training Promotes Both Synaptic and Intrinsic Plasticity of Layer II/III Pyramidal Neurons in the Primary Motor Cortex

PubMed Central

Kida, Hiroyuki; Tsuda, Yasumasa; Ito, Nana; Yamamoto, Yui; Owada, Yuji; Kamiya, Yoshinori; Mitsushima, Dai

2016-01-01

Motor skill training induces structural plasticity at dendritic spines in the primary motor cortex (M1). To further analyze both synaptic and intrinsic plasticity in the layer II/III area of M1, we subjected rats to a rotor rod test and then prepared acute brain slices. Motor skill consistently improved within 2 days of training. Voltage clamp analysis showed significantly higher α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid/N-methyl-d-aspartate (AMPA/NMDA) ratios and miniature EPSC amplitudes in 1-day trained rats compared with untrained rats, suggesting increased postsynaptic AMPA receptors in the early phase of motor learning. Compared with untrained controls, 2-days trained rats showed significantly higher miniature EPSC amplitude and frequency. Paired-pulse analysis further demonstrated lower rates in 2-days trained rats, suggesting increased presynaptic glutamate release during the late phase of learning. One-day trained rats showed decreased miniature IPSC frequency and increased paired-pulse analysis of evoked IPSC, suggesting a transient decrease in presynaptic γ-aminobutyric acid (GABA) release. Moreover, current clamp analysis revealed lower resting membrane potential, higher spike threshold, and deeper afterhyperpolarization in 1-day trained rats—while 2-days trained rats showed higher membrane potential, suggesting dynamic changes in intrinsic properties. Our present results indicate dynamic changes in glutamatergic, GABAergic, and intrinsic plasticity in M1 layer II/III neurons after the motor training. PMID:27193420

Motor Training Promotes Both Synaptic and Intrinsic Plasticity of Layer II/III Pyramidal Neurons in the Primary Motor Cortex.

PubMed

Kida, Hiroyuki; Tsuda, Yasumasa; Ito, Nana; Yamamoto, Yui; Owada, Yuji; Kamiya, Yoshinori; Mitsushima, Dai

2016-08-01

Motor skill training induces structural plasticity at dendritic spines in the primary motor cortex (M1). To further analyze both synaptic and intrinsic plasticity in the layer II/III area of M1, we subjected rats to a rotor rod test and then prepared acute brain slices. Motor skill consistently improved within 2 days of training. Voltage clamp analysis showed significantly higher α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid/N-methyl-d-aspartate (AMPA/NMDA) ratios and miniature EPSC amplitudes in 1-day trained rats compared with untrained rats, suggesting increased postsynaptic AMPA receptors in the early phase of motor learning. Compared with untrained controls, 2-days trained rats showed significantly higher miniature EPSC amplitude and frequency. Paired-pulse analysis further demonstrated lower rates in 2-days trained rats, suggesting increased presynaptic glutamate release during the late phase of learning. One-day trained rats showed decreased miniature IPSC frequency and increased paired-pulse analysis of evoked IPSC, suggesting a transient decrease in presynaptic γ-aminobutyric acid (GABA) release. Moreover, current clamp analysis revealed lower resting membrane potential, higher spike threshold, and deeper afterhyperpolarization in 1-day trained rats-while 2-days trained rats showed higher membrane potential, suggesting dynamic changes in intrinsic properties. Our present results indicate dynamic changes in glutamatergic, GABAergic, and intrinsic plasticity in M1 layer II/III neurons after the motor training. © The Author 2016. Published by Oxford University Press.

Ice-dynamical and Basal Properties of Sofiyskiy Glacier, Altai Mts, Russia, Based On GPS and Radio-echo Sounding Surveys

NASA Astrophysics Data System (ADS)

Pattyn, F.; de Smedt, B.; de Brabander, S.; Decleir, H.

It is expected that central-Asian glaciers ­ compared to other glaciers in the world ­ exhibit a different response to changing climate due to (i) the extreme continentality that gives rise to aridity and large seasonal temperature variations, and (ii) the coinci- dence of both accumulation and ablation season in summer. A detailed four-year field survey was carried out on Sofiyskiy Glacier, a glacier in the South Chuya Range (Altai Mountains), Russia. Field observations revealed that this glacier retreated steadily during the 20th Century at a rate of 18.3 m a-1. Based on radio-echo sounding (RES) and mass-balance mea- surements, we carried out numerical model experiments to simulate historic front vari- ations (De Smedt and Pattyn, in prep.). Results demonstrated that although Sofiyskiy Glacier exhibits a low static sensitivity to climatic changes, its dynamic sensitivity seems very large compared to glaciers from the European Alps. Basal sliding plays an important role in the glacier's behaviour. An analysis of RES measurements led to the determination of the bed reflection power (BRP). Applying a three-layer reflectivity model (Born and Wolf, 1986) the BRP was compared with the theoretical bed reflectivity for a conductive layer of varying porosity and thickness (considering a water layer, saturated till or frozen material). From this comparison it was possible to delineate zones of high basal water content, saturated till or ice frozen to the bedrock.

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

DOE PAGES

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; ...

2015-11-03

We studied the dynamics of water in polyethylene oxide (PEO)/LiCl solution with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. Furthermore, the measured diffusion coefficient of interfacial water remained 5–10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li +. Detailed analysis of MD trajectories suggests that Li + is favorably found at the surface of the hydration layer, and the probability to find the caged Li + configuration formed by themore » PEO is lower than for the noncaged Li +-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li + hydration complexes. Moreover, performing the MD simulation with different ions (Na + and K +) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.« less

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; Jalarvo, Niina H.; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S.; Do, Changwoo

2015-11-01

The dynamics of water in polyethylene oxide (PEO)/LiCl solution has been studied with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. The measured diffusion coefficient of interfacial water remained 5-10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li+ . Detailed analysis of MD trajectories suggests that Li+ is favorably found at the surface of the hydration layer, and the probability to find the caged Li+ configuration formed by the PEO is lower than for the noncaged Li+-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li+ hydration complexes. Performing the MD simulation with different ions (Na+ and K+ ) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide.

PubMed

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O; Jalarvo, Niina H; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S; Do, Changwoo

2015-11-06

The dynamics of water in polyethylene oxide (PEO)/LiCl solution has been studied with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. The measured diffusion coefficient of interfacial water remained 5-10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li(+). Detailed analysis of MD trajectories suggests that Li(+) is favorably found at the surface of the hydration layer, and the probability to find the caged Li(+) configuration formed by the PEO is lower than for the noncaged Li(+)-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li(+) hydration complexes. Performing the MD simulation with different ions (Na(+) and K(+)) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.

Summer microbial community composition governed by upper-ocean stratification and nutrient availability in northern Marguerite Bay, Antarctica

NASA Astrophysics Data System (ADS)

Rozema, Patrick D.; Biggs, Tristan; Sprong, Pim A. A.; Buma, Anita G. J.; Venables, Hugh J.; Evans, Claire; Meredith, Michael P.; Bolhuis, Henk

2017-05-01

The Western Antarctic Peninsula warmed significantly during the second half of the twentieth century, with a concurrent retreat of the majority of its glaciers, and marked changes in the sea-ice field. These changes may affect summertime upper-ocean stratification, and thereby the seasonal dynamics of phytoplankton and bacteria. In the present study, we examined coastal Antarctic microbial community dynamics by pigment analysis and applying molecular tools, and analysed various environmental parameters to identify the most important environmental drivers. Sampling focussed on the austral summer of 2009-2010 at the Rothera oceanographic and biological Time Series (RaTS) site in northern Marguerite bay, Antarctica. The Antarctic summer was characterized by a salinity decrease (measured at 15 m depth) coinciding with increased meteoric water fraction. Maximum Chl-a values of 35 μg l-1 were observed during midsummer and mainly comprised of diatoms. Microbial community fingerprinting revealed four distinct periods in phytoplankton succession during the summer while bacteria showed a delayed response to the phytoplankton community. Non-metric multidimensional scaling analyses showed that phytoplankton community dynamics were mainly directed by temperature, mixed layer depth and wind speed. Both high and low N/P ratios might have influenced phytoplankton biomass accumulation. The bacterioplankton community composition was mainly governed by Chl-a, suggesting a link to phytoplankton community changes. High-throughput 16S and 18S rRNA amplicon sequencing revealed stable eukaryotic and bacterial communities with regards to observed species, yet varying temporal relative contributions. Eukaryotic sequences were dominated by pennate diatoms in December followed by polar centric diatoms in January and February. Our results imply that the reduction of mixed layer depth during summer, caused by meltwater-related surface stratification, promotes a succession in diatoms rather than in nanophytoflagellates in northern Marguerite Bay, which may favour higher trophic levels.

Kinematic and Dynamic Studies of Microbursts in the Subcloud Layer Derived from Jaws Dual-Doppler Radar for a Colorado Thunderstorm.

NASA Astrophysics Data System (ADS)

Coover, John Anthony, Jr.

The kinematic, dynamic and thermodynamic features of a simple and a complex microburst event were calculated, and comparisons were made in order to find common and unique structural features that might lead to greater insight into the physical mechanisms responsible for microburst development. Dual-Doppler radar data from CP-3 and CP -4, collected near Denver, Colorado, during the Joint Airport Weather Studies (JAWS) project were judiciously edited, gridded and kinematically integrated upward from the surface, to produce a three-dimensional wind field. The retrieved pressure field from the three-dimensional wind field was used to compute a relative "goodness of fit" of the mass field to the momentum field. The perturbation temperature and thermodynamic variables were used to compute the momentum budgets and field was derived from the buoyancy equation, using the derived wind and pressure fields. The complete set of Doppler derived winds and thermodynamic variables were used to compute budgets of the momentum flux and the eddy kinetic energy within the microburst domain, to allow for a more definitive interpretation of the results. The results from this study reveal some basic similarities, along with some notable differences in structure. Both cases reveal a downward flux of mass, momentum, and eddying energy within the microburst; the boundary layer above 0.75 km is the source of the mass and momentum; an intermediate level near 0.75 km acts as a conduit for the downward flux; and the surface layer below 0.75 km that comprises the divergent flow enclosed in the microburst. The microburst also included a high reflectivity core at the center. The complex case contains a misocyclone above 0.75 km. The misocyclone will hereafter refer to the cyclonic circulation above the surface microburst. The role played by hail was more significant to the microburst's development. The most significant result of this study was that a combination of physical mechanisms, including evaporative cooling, precipitation drag, downward momentum and eddy kinetic energy flux and hail melt, were responsible for maintaining the microburst, during its mature stage. The degree to which any particular mechanism plays a role in the microburst is dependent on the synoptic scale dynamic and thermodynamic structures.

Stable Isotopic Composition of Particulate Organic Carbon in the Caspian Sea

NASA Astrophysics Data System (ADS)

Kravchishina, M. D.; Klyuvitkin, A. A.; Pautova, L. A.; Politova, N. V.; Lein, A. Yu.

2018-01-01

The data on the isotopic composition of particulate organic carbon (δ13CPOC) in the Caspian Sea water in summer-autumn 2008, 2010, 2012, and 2013 are discussed in the paper. These data allowed as to reveal the predominant genesis of organic carbon in suspended particulate matter of the active seawater layer (from 0 to 40 m). The δ13CPOC =-27‰ (PDB) and δ13CPOC =-20.5‰ (PDB) values were taken as the reference data for terrigenous and planktonogenic organic matter, respectively. Seasonal (early summer, late summer, and autumn) variations in the composition of suspended particulate matter in the active sea layer were revealed. A shift of δ13CPOC towards greater values was seen in autumn (with a slight outburst in the development (bloom) of phytoplankton) in comparison with summer (with large accumulations and an extraordinary phytoplankton bloom confined to the thermocline area). The seasonal dynamics of autochthonous and allochthonous components in the suspended particulate matter of the Middle and Southern Caspian Sea was studied with the use of data on the concentration of particulate matter and chlorophyll a, the phytoplankton biomass and the POC content.

Atomic force microscopy stiffness tomography on living Arabidopsis thaliana cells reveals the mechanical properties of surface and deep cell-wall layers during growth.

PubMed

Radotić, Ksenija; Roduit, Charles; Simonović, Jasna; Hornitschek, Patricia; Fankhauser, Christian; Mutavdžić, Dragosav; Steinbach, Gabor; Dietler, Giovanni; Kasas, Sandor

2012-08-08

Cell-wall mechanical properties play a key role in the growth and the protection of plants. However, little is known about genuine wall mechanical properties and their growth-related dynamics at subcellular resolution and in living cells. Here, we used atomic force microscopy (AFM) stiffness tomography to explore stiffness distribution in the cell wall of suspension-cultured Arabidopsis thaliana as a model of primary, growing cell wall. For the first time that we know of, this new imaging technique was performed on living single cells of a higher plant, permitting monitoring of the stiffness distribution in cell-wall layers as a function of the depth and its evolution during the different growth phases. The mechanical measurements were correlated with changes in the composition of the cell wall, which were revealed by Fourier-transform infrared (FTIR) spectroscopy. In the beginning and end of cell growth, the average stiffness of the cell wall was low and the wall was mechanically homogenous, whereas in the exponential growth phase, the average wall stiffness increased, with increasing heterogeneity. In this phase, the difference between the superficial and deep wall stiffness was highest. FTIR spectra revealed a relative increase in the polysaccharide/lignin content. Copyright © 2012 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Dynamic Moss Observed with Hi-C

NASA Technical Reports Server (NTRS)

Alexander, Caroline; Winebarger, Amy; Morton, Richard; Savage, Sabrina

2014-01-01

The High-resolution Coronal Imager (Hi-C), flown on 11 July 2012, has revealed an unprecedented level of detail and substructure within the solar corona. Hi-­-C imaged a large active region (AR11520) with 0.2-0.3'' spatial resolution and 5.5s cadence over a 5 minute period. An additional dataset with a smaller FOV, the same resolution, but with a higher temporal cadence (1s) was also taken during the rocket flight. This dataset was centered on a large patch of 'moss' emission that initially seemed to show very little variability. Image processing revealed this region to be much more dynamic than first thought with numerous bright and dark features observed to appear, move and disappear over the 5 minute observation. Moss is thought to be emission from the upper transition region component of hot loops so studying its dynamics and the relation between the bright/dark features and underlying magnetic features is important to tie the interaction of the different atmospheric layers together. Hi-C allows us to study the coronal emission of the moss at the smallest scales while data from SDO/AIA and HMI is used to give information on these structures at different heights/temperatures. Using the high temporal and spatial resolution of Hi-C the observed moss features were tracked and the distribution of displacements, speeds, and sizes were measured. This allows us to comment on both the physical processes occurring within the dynamic moss and the scales at which these changes are occurring.

Dynamic Moss Observed with Hi-C

NASA Technical Reports Server (NTRS)

Alexander, Caroline; Winebarger, Amy; Morton, Richard; Savage, Sabrina

2014-01-01

The High-resolution Coronal Imager (Hi-C), flown on 11 July 2012, has revealed an unprecedented level of detail and substructure within the solar corona. Hi-C imaged a large active region (AR11520) with 0.2-0.3'' spatial resolution and 5.5s cadence over a 5 minute period. An additional dataset with a smaller FOV, the same resolution, but with a higher temporal cadence (1s) was also taken during the rocket flight. This dataset was centered on a large patch of 'moss' emission that initially seemed to show very little variability. Image processing revealed this region to be much more dynamic than first thought with numerous bright and dark features observed to appear, move and disappear over the 5 minute observation. Moss is thought to be emission from the upper transition region component of hot loops so studying its dynamics and the relation between the bright/dark features and underlying magnetic features is important to tie the interaction of the different atmospheric layers together. Hi-C allows us to study the coronal emission of the moss at the smallest scales while data from SDO/AIA and HMI is used to give information on these structures at different heights/temperatures. Using the high temporal and spatial resolution of Hi-C the observed moss features were tracked and the distribution of displacements, speeds, and sizes were measured. This allows us to comment on both the physical processes occurring within the dynamic moss and the scales at which these changes are occurring.

Dynamics of Gut-Brain Communication Underlying Hunger.

PubMed

Beutler, Lisa R; Chen, Yiming; Ahn, Jamie S; Lin, Yen-Chu; Essner, Rachel A; Knight, Zachary A

2017-10-11

Communication between the gut and brain is critical for homeostasis, but how this communication is represented in the dynamics of feeding circuits is unknown. Here we describe nutritional regulation of key neurons that control hunger in vivo. We show that intragastric nutrient infusion rapidly and durably inhibits hunger-promoting AgRP neurons in awake, behaving mice. This inhibition is proportional to the number of calories infused but surprisingly independent of macronutrient identity or nutritional state. We show that three gastrointestinal signals-serotonin, CCK, and PYY-are necessary or sufficient for these effects. In contrast, the hormone leptin has no acute effect on dynamics of these circuits or their sensory regulation but instead induces a slow modulation that develops over hours and is required for inhibition of feeding. These findings reveal how layers of visceral signals operating on distinct timescales converge on hypothalamic feeding circuits to generate a central representation of energy balance. Copyright © 2017 Elsevier Inc. All rights reserved.

Investigation of the interfacial properties of polyurethane/carbon nanotube hybrid composites: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Goclon, Jakub; Panczyk, Tomasz; Winkler, Krzysztof

2018-03-01

Considering the varied applications of hybrid polymer/carbon nanotube composites and the constant progress in the synthesis methods of such materials, we report a theoretical study of interfacial layer formation between pristine single-wall carbon nanotubes (SWCNTs) and polyurethane (PU) using molecular dynamic simulations. We vary the SWCNT diameter and the number of PU chains to examine various PU-SWCNT interaction patterns. Our simulations indicate the important role of intra-chain forces in PU. No regular polymeric structures could be identified on the carbon nanotube surface during the simulations. We find that increasing the SWCNT diameter results in stronger polymer binding. However, higher surface loadings of PU lead to stronger interpenetration by the polymeric segments; this effect is more apparent for SWCNTs with small diameters. Our core finding is that the attached PU binds most strongly to the carbon nanotubes with the largest diameters. Polymer dynamics reveal the loose distribution of PU chains in these systems.

Ultrafast spectroscopy of exciton and exciton dynamics in mono and few layers of WS2

NASA Astrophysics Data System (ADS)

Khadka, Sudiksha; Aleithan, Shrouq; Livshits, Max; Rack, Jeffrey J.; Kordesch, Martin; Stinaff, Eric

Single layer of Transitional metal dichalcogenides (MX2) are 2D semiconductors that have a direct band gap in visible spectrum and fill the gap in between 2D metallic and insulating materials. They have possible application in optoelectronic devices, photovoltaics and photodetection, molecular sensing, 'valleytronics', and flexible transparent electronics. Tungsten Disulphide (WS2), one of the member of MX2 family, has a direct band gap of 2.2 eV and a large valley splitting of about 0.4 eV. Here, we present a detailed study of exciton states and their decay mechanisms in mono and few layer WS2 using femto-second transient absorption spectroscopy. We report a new peak at 3.01+/-0.1 eV whose origin in k space is believed to be at or around K point and further investigation is under way. The exponential fitting of decay curve of the exciton A reveals three time components as 1.7+/-0.3 ps, 33.5+/-10 ps and 670+/-15 ps, most likely corresponding to carrier-carrier scattering, carrier-phonon scattering, and radiative relaxation respectively.

Ultrafast spectroscopy of exciton and exciton dynamics in mono and few layers of WS2

NASA Astrophysics Data System (ADS)

Khadka, Sudiksha; Aleithan, Shrouq; Livshits, Max; Rack, Jeffrey J.; Kordesch, Martin; Stinaff, Eric

Single layer of Transitional metal dichalcogenides (MX2) are 2D semiconductors that have a direct band gap in visible spectrum and fill the gap in between 2D metallic and insulating materials. They have possible application in optoelectronic devices, photovoltaics and photodetection, molecular sensing, 'valleytronics', and flexible transparent electronics. Tungsten Disulphide (WS2), one of the member of MX2 family, has a direct band gap of 2.2 eV and a large valley splitting of about 0.4 eV. Here, we present a detailed study of exciton states and their decay mechanisms in mono and few layer WS2 using femto-second transient absorption spectroscopy. We report a new peak at 3.01+/-0.1 eV whose origin in k space is believed to be at or around K point and further investigation is underway. The exponential fitting of decay curve of the exciton A reveals three time components as 1.7+/-0.3 ps, 33.5+/-10 ps and 670+/-15 ps, most likely corresponding to carrier-carrier scattering, carrier-phonon scattering, and radiative relaxation respectively.

Evaluation of inner retinal layers as biomarkers in mild cognitive impairment to moderate Alzheimer’s disease

PubMed Central

Mukherjee, Dibyendu; Stinnett, Sandra S.; Cousins, Scott W.; Potter, Guy G.; Burke, James R.; Farsiu, Sina; Whitson, Heather E.

2018-01-01

Inner retina in Alzheimer's Disease (AD) may experience neuroinflammation resulting in atrophy. The objective of our study was to determine whether retinal GCIPL (ganglion cell-inner plexiform layer) or nerve fiber layer (NFL) thickness may serve as noninvasive biomarkers to diagnose AD. This cross-sectional case-control study enrolled 15 mild cognitive impairment (MCI) patients, 15 mild-moderate AD patients, and 18 cognitively normal adults. NFL and GCIPL thicknesses on optical coherence tomography (OCT) were measured using Duke Optical Coherence Tomography Retinal Analysis Program (DOCTRAP) and Spectralis software. We demonstrated that regional thicknesses of NFL or GCIPL on macular or nerve OCTs did not differ between groups. However, a multi-variate regression analysis identified macular areas with a significant thickening or thinning in NFL and GCIPL in MCI and AD patients. Our primary findings controvert previous reports of thinner NFL in moderate-to-severe AD. The areas of thickening of GCIPL and NFL in the macula adjacent to areas of thinning, as revealed by a more complex statistical model, suggest that NFL and GCIPL may undergo dynamic changes during AD progression. PMID:29420642

Prenucleation Induced by Crystalline Substrates

NASA Astrophysics Data System (ADS)

Men, H.; Fan, Z.

2018-04-01

Prenucleation refers to the phenomenon of atomic ordering in the liquid adjacent to the substrate/liquid interface at temperatures above the liquidus. In this paper, we have systematically investigated and holistically quantified the prenucleation phenomenon as a function of temperature and the lattice misfit between the substrate and the solid, using molecular dynamics (MD) simulations. Our results have confirmed that at temperatures above the liquidus, the atoms in the liquid at the interface may exhibit pronounced atomic ordering, manifested by atomic layering normal to the interface, in-plane atomic ordering parallel to the interface, and the formation of a 2-dimensional (2D) ordered structure (a few atomic layers in thickness) on the substrate surface. Holistic quantification of such atomic ordering at the interface has revealed that the atomic layering is independent of lattice misfit and is only slightly enhanced by reducing temperature while both in-plane atomic ordering and the formation of the 2D ordered structure are significantly enhanced by reducing the lattice misfit and/or temperature. This substrate-induced atomic ordering in the liquid may have a significant influence on the subsequent heterogeneous nucleation process.

First-Principles Prediction of Thermodynamically Stable Two-Dimensional Electrides

DOE PAGES

Ming, Wenmei; Yoon, Mina; Univ. of Tennessee, Knoxville, TN; ...

2016-10-21

Two-dimensional (2D) electrides, emerging as a new type of layered material whose electrons are confined in interlayer spaces instead of at atomic proximities, are receiving interest for their high performance in various (opto)electronics and catalytic applications. Experimentally, however, 2D electrides have been only found in a couple of layered nitrides and carbides. We report new thermodynamically stable alkaline-earth based 2D electrides by using a first-principles global structure optimization method, phonon spectrum analysis, and molecular dynamics simulation. The method was applied to binary compounds consisting of alkaline-earth elements as cations and group VA, VIA, or VIIA nonmetal elements as anions. Wemore » also revealed that the stability of a layered 2D electride structure is closely related to the cation/anion size ratio; stable 2D electrides possess a sufficiently large cation/anion size ratio to minimize electrostatic energy among cations, anions, and anionic electrons. This work demonstrates a new avenue to the discovery of thermodynamically stable 2D electrides beyond experimental material databases and provides new insight into the principles of electride design.« less

Quantitative computational infrared imaging of buoyant diffusion flames

NASA Astrophysics Data System (ADS)

Newale, Ashish S.

Studies of infrared radiation from turbulent buoyant diffusion flames impinging on structural elements have applications to the development of fire models. A numerical and experimental study of radiation from buoyant diffusion flames with and without impingement on a flat plate is reported. Quantitative images of the radiation intensity from the flames are acquired using a high speed infrared camera. Large eddy simulations are performed using fire dynamics simulator (FDS version 6). The species concentrations and temperature from the simulations are used in conjunction with a narrow-band radiation model (RADCAL) to solve the radiative transfer equation. The computed infrared radiation intensities rendered in the form of images and compared with the measurements. The measured and computed radiation intensities reveal necking and bulging with a characteristic frequency of 7.1 Hz which is in agreement with previous empirical correlations. The results demonstrate the effects of stagnation point boundary layer on the upstream buoyant shear layer. The coupling between these two shear layers presents a model problem for sub-grid scale modeling necessary for future large eddy simulations.

Dynamic Modelling of Embeddable Piezoceramic Transducers

PubMed Central

Li, Xu; Li, Hongnan; Wang, Zhijie; Song, Gangbing

2017-01-01

Embedded Lead Zirconate Titanate (PZT) transducers have been widely used in research related to monitoring the health status of concrete structures. This paper presents a dynamic model of an embeddable PZT transducer with a waterproof layer and a protecting layer. The proposed model is verified by finite-element method (FEM). Based on the proposed model, the factors influencing the dynamic property of the embeddable PZT transducers, which include the material and thickness of the protecting layer, the material and thickness of the waterproof layer, and the thickness of the PZT, are analyzed. These analyses are further validated by a series of dynamic stress transfer experiments on embeddable PZT transducers. The results show that the excitation frequency can significantly affect the stress transfer of the PZT transducer in terms of both amplitude and signal phase. The natural frequency in the poling direction for the PZT transducer is affected by the material properties and the thickness of the waterproof and protecting layers. The studies in this paper will provide a scientific basis to design embeddable PZT transducers with special functions. PMID:29206150

Backwards compatible high dynamic range video compression

NASA Astrophysics Data System (ADS)

Dolzhenko, Vladimir; Chesnokov, Vyacheslav; Edirisinghe, Eran A.

2014-02-01

This paper presents a two layer CODEC architecture for high dynamic range video compression. The base layer contains the tone mapped video stream encoded with 8 bits per component which can be decoded using conventional equipment. The base layer content is optimized for rendering on low dynamic range displays. The enhancement layer contains the image difference, in perceptually uniform color space, between the result of inverse tone mapped base layer content and the original video stream. Prediction of the high dynamic range content reduces the redundancy in the transmitted data while still preserves highlights and out-of-gamut colors. Perceptually uniform colorspace enables using standard ratedistortion optimization algorithms. We present techniques for efficient implementation and encoding of non-uniform tone mapping operators with low overhead in terms of bitstream size and number of operations. The transform representation is based on human vision system model and suitable for global and local tone mapping operators. The compression techniques include predicting the transform parameters from previously decoded frames and from already decoded data for current frame. Different video compression techniques are compared: backwards compatible and non-backwards compatible using AVC and HEVC codecs.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Assessment of Climate Driven Dynamics of Active Layer, Hydrological and Vegetation Status at the Qinghai-Tibet Plateau Using Dynamic Global Vegetation Model

NASA Astrophysics Data System (ADS)

Yang, Y.

2014-12-01

Extensive permafrost degradation starting from 1970s is observed at the Qinghai-Tibet Plateau , China. Degradation is attributed to an increase in mean annual ground temperature 0.1◦-0.5◦ C with mainly winter warming. The construction of Qinghai-Tibet Railway also influenced a state of permafrost in the area Permafrost degradation caused negative environmental consequences in the area. The areas covered by sand are expanding steadily making large concern of accelerating desertification. The general pathway of future joint dynamics of permafrost, vegetation and hydrological status at the Qinghai-Tibet Plateau is still poorly understood and foreseeable. Hydrology in the area is determined by heat-moisture dynamics of active layer. This dynamics is highly non-linear and depends as on external climatic variables temperature and precipitation, so on soil and rock properties (amount of sand against aeolian deposits in the Plateau) as well as vegetation cover, which determine thaw and freeze processes in the active layer and evaporation and run-off. SEVER DGVM was modified to include heat-moisture dynamics of active layer in the Qinghai-Tibet Plateau. SEVER DGVM imitates processes in 10 plant functional types at coarse resolution of 0.5 degrees. This model imitates behavior of average individual of each plant type in each grid cell through simulation years. Each of those grid cells processed independently. First, this model starts from "bare soil", placing a bit of each plant type and giving them some time to grow and achieve equilibrium. Then, including active layer thickness and soil moisture dynamics into this layer, it allows assessment of potential environmental dynamics in this area. Simulations demonstrate further degradation of pastureland and accelerating desertification processes in this vitally important water feed area for many Asian rivers. Negative environmental problems related to operation of Qinghai-Tibet are also assessed.

Edge-core interaction of ITG turbulence in Tokamaks: Is the Tail Wagging the Dog?

NASA Astrophysics Data System (ADS)

Ku, S.; Chang, C. S.; Dif-Pradalier, G.; Diamond, P. H.

2010-11-01

A full-f XGC1 gyrokinetic simulation of ITG turbulence, together with the neoclassical dynamics without scale separation, has been performed for the whole-volume plasma in realistic diverted DIII-D geometry. The simulation revealed that the global structure of the turbulence and transport in tokamak plasmas results from a synergy between edge-driven inward propagation of turbulence intensity and the core-driven outward heat transport. The global ion confinement and the ion temperature gradient then self-organize quickly at turbulence propagation time scale. This synergy results in inward-outward pulse scattering leading to spontaneous production of strong internal shear layers in which the turbulent transport is almost suppressed over several radial correlation lengths. Co-existence of the edge turbulence source and the strong internal shear layer leads to radially increasing turbulence intensity and ion thermal transport profiles.

Optimization of the random multilayer structure to break the random-alloy limit of thermal conductivity

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

Wang, Yan; Gu, Chongjie; Ruan, Xiulin, E-mail: ruan@purdue.edu

2015-02-16

A low lattice thermal conductivity (κ) is desired for thermoelectrics, and a highly anisotropic κ is essential for applications such as magnetic layers for heat-assisted magnetic recording, where a high cross-plane (perpendicular to layer) κ is needed to ensure fast writing while a low in-plane κ is required to avoid interaction between adjacent bits of data. In this work, we conduct molecular dynamics simulations to investigate the κ of superlattice (SL), random multilayer (RML) and alloy, and reveal that RML can have 1–2 orders of magnitude higher anisotropy in κ than SL and alloy. We systematically explore how the κmore » of SL, RML, and alloy changes relative to each other for different bond strength, interface roughness, atomic mass, and structure size, which provides guidance for choosing materials and structural parameters to build RMLs with optimal performance for specific applications.« less

Drop impact on liquid film: dynamics of interfacial gas layer

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

Seasonal Variability of Salt Transports in the Northern Indian Ocean

NASA Astrophysics Data System (ADS)

D'Addezio, J. M.; Bulusu, S.

2016-02-01

Due to limited observational data in the Indian Ocean compared to other regions of the global ocean, past work on the Northern Indian Ocean (NIO) has relied heavily upon model analysis to study the variability of regional salinity advection caused by the monsoon seasons. With the launch of the Soil Moisture and Ocean Salinity (SMOS) satellite in 2009 and the Aquarius SAC-D mission in 2011 (ended on June 7, 2011), remotely sensed, synoptic scale sea surface salinity (SSS) data is now readily available to study this dynamic region. The new observational data has allowed us to revisit the region to analyze seasonal variability of salinity advection in the NIO using several modeled products, the Aquarius and SMOS satellites, and Argo floats data. The model simulations include the Consortium for Estimating the Circulation and Climate of the Ocean (ECCO2), European Centre for Medium-Range Weather Forecasts - Ocean Reanalysis System 4 (ECMWF-ORSA4), Simple Ocean Data Assimilation (SODA) Reanalysis, and HYbrid Coordinate Ocean Model (HYCOM). Our analyses of salinity at the surface and at depths up to 200 m, surface salt transport in the top 5 m layer, and depth-integrated salt transports revealed different salinity processes in the NIO that are dominantly related to the semi-annual monsoons. Aquarius and SMOS prove useful tools for observing this dynamic region, and reveal some aspects of SSS that Argo cannot resolve. Meridional depth-integrated salt transports using the modeled products along 6°N revealed dominant advective processes from the surface towards near-bottom depths. Finally, a difference in subsurface salinity stratification causes many of the modeled products to incorrectly estimate the magnitude and seasonality of NIO barrier layer thickness (BLT) when compared to the Argo solution. This problem is also evident in model output from the Seychelles-Chagos Thermocline Ridge (SCTR), a region with strong air-sea teleconnections with the Arabian Sea.

Distinct retrosplenial cortex cell populations and their spike dynamics during ketamine-induced unconscious state

PubMed Central

Zhao, Fang; Tsien, Joe Z.

2017-01-01

Ketamine is known to induce psychotic-like symptoms, including delirium and visual hallucinations. It also causes neuronal damage and cell death in the retrosplenial cortex (RSC), an area that is thought to be a part of high visual cortical pathways and at least partially responsible for ketamine’s psychotomimetic activities. However, the basic physiological properties of RSC cells as well as their response to ketamine in vivo remained largely unexplored. Here, we combine a computational method, the Inter-Spike Interval Classification Analysis (ISICA), and in vivo recordings to uncover and profile excitatory cell subtypes within layers 2&3 and 5&6 of the RSC in mice within both conscious, sleep, and ketamine-induced unconscious states. We demonstrate two distinct excitatory principal cell sub-populations, namely, high-bursting excitatory principal cells and low-bursting excitatory principal cells, within layers 2&3, and show that this classification is robust over the conscious states, namely quiet awake, and natural unconscious sleep periods. Similarly, we provide evidence of high-bursting and low-bursting excitatory principal cell sub-populations within layers 5&6 that remained distinct during quiet awake and sleep states. We further examined how these subtypes are dynamically altered by ketamine. During ketamine-induced unconscious state, these distinct excitatory principal cell subtypes in both layer 2&3 and layer 5&6 exhibited distinct dynamics. We also uncovered different dynamics of local field potential under various brain states in layer 2&3 and layer 5&6. Interestingly, ketamine administration induced high gamma oscillations in layer 2&3 of the RSC, but not layer 5&6. Our results show that excitatory principal cells within RSC layers 2&3 and 5&6 contain multiple physiologically distinct sub-populations, and they are differentially affected by ketamine. PMID:29073221

Distinct retrosplenial cortex cell populations and their spike dynamics during ketamine-induced unconscious state.

PubMed

Fox, Grace E; Li, Meng; Zhao, Fang; Tsien, Joe Z

2017-01-01

Ketamine is known to induce psychotic-like symptoms, including delirium and visual hallucinations. It also causes neuronal damage and cell death in the retrosplenial cortex (RSC), an area that is thought to be a part of high visual cortical pathways and at least partially responsible for ketamine's psychotomimetic activities. However, the basic physiological properties of RSC cells as well as their response to ketamine in vivo remained largely unexplored. Here, we combine a computational method, the Inter-Spike Interval Classification Analysis (ISICA), and in vivo recordings to uncover and profile excitatory cell subtypes within layers 2&3 and 5&6 of the RSC in mice within both conscious, sleep, and ketamine-induced unconscious states. We demonstrate two distinct excitatory principal cell sub-populations, namely, high-bursting excitatory principal cells and low-bursting excitatory principal cells, within layers 2&3, and show that this classification is robust over the conscious states, namely quiet awake, and natural unconscious sleep periods. Similarly, we provide evidence of high-bursting and low-bursting excitatory principal cell sub-populations within layers 5&6 that remained distinct during quiet awake and sleep states. We further examined how these subtypes are dynamically altered by ketamine. During ketamine-induced unconscious state, these distinct excitatory principal cell subtypes in both layer 2&3 and layer 5&6 exhibited distinct dynamics. We also uncovered different dynamics of local field potential under various brain states in layer 2&3 and layer 5&6. Interestingly, ketamine administration induced high gamma oscillations in layer 2&3 of the RSC, but not layer 5&6. Our results show that excitatory principal cells within RSC layers 2&3 and 5&6 contain multiple physiologically distinct sub-populations, and they are differentially affected by ketamine.

Correlated lateral phase separations in stacks of lipid membranes

NASA Astrophysics Data System (ADS)

Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

2015-12-01

Motivated by the experimental study of Tayebi et al. [Nat. Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static and dynamical features using Monte Carlo simulations with Kawasaki spin exchange dynamics that conserves the order parameter. We show that at thermodynamical equilibrium, due to strong inter-layer correlations, the system forms a continuous columnar structure for any finite interaction across adjacent layers. Furthermore, the phase separation shows a faster dynamics as the inter-layer interaction is increased. This temporal behavior is mainly due to an effective deeper temperature quench because of the larger value of the critical temperature, Tc, for larger inter-layer interaction. When the temperature ratio, T/Tc, is kept fixed, the temporal growth exponent does not increase and even slightly decreases as a function of the increased inter-layer interaction.

Dynamics of multiple double layers in high pressure glow discharge in a simple torus

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

Kumar Paul, Manash, E-mail: manashkr@gmail.com; Sharma, P. K.; Thakur, A.

2014-06-15

Parametric characterization of multiple double layers is done during high pressure glow discharge in a toroidal vessel of small aspect ratio. Although glow discharge (without magnetic field) is known to be independent of device geometry, but the toroidal boundary conditions are conducive to plasma growth and eventually the plasma occupy the toroidal volume partially. At higher anode potential, the visibly glowing spots on the body of spatially extended anode transform into multiple intensely luminous spherical plasma blob structures attached to the tip of the positive electrode. Dynamics of multiple double layers are observed in argon glow discharge plasma in presencemore » of toroidal magnetic field. The radial profiles of plasma parameters measured at various toroidal locations show signatures of double layer formation in our system. Parametric dependence of double layer dynamics in presence of toroidal magnetic field is presented here.« less

Modal decomposition of turbulent supersonic cavity

NASA Astrophysics Data System (ADS)

Soni, R. K.; Arya, N.; De, A.

2018-06-01

Self-sustained oscillations in a Mach 3 supersonic cavity with a length-to-depth ratio of three are investigated using wall-modeled large eddy simulation methodology for ReD = 3.39× 105 . The unsteady data obtained through computation are utilized to investigate the spatial and temporal evolution of the flow field, especially the second invariant of the velocity tensor, while the phase-averaged data are analyzed over a feedback cycle to study the spatial structures. This analysis is accompanied by the proper orthogonal decomposition (POD) data, which reveals the presence of discrete vortices along the shear layer. The POD analysis is performed in both the spanwise and streamwise planes to extract the coherence in flow structures. Finally, dynamic mode decomposition is performed on the data sequence to obtain the dynamic information and deeper insight into the self-sustained mechanism.

Extreme Lagrangian acceleration in confined turbulent flow.

PubMed

Kadoch, Benjamin; Bos, Wouter J T; Schneider, Kai

2008-05-09

A Lagrangian study of two-dimensional turbulence for two different geometries, a periodic and a confined circular geometry, is presented to investigate the influence of solid boundaries on the Lagrangian dynamics. It is found that the Lagrangian acceleration is even more intermittent in the confined domain than in the periodic domain. The flatness of the Lagrangian acceleration as a function of the radius shows that the influence of the wall on the Lagrangian dynamics becomes negligible in the center of the domain, and it also reveals that the wall is responsible for the increased intermittency. The transition in the Lagrangian statistics between this region, not directly influenced by the walls, and a critical radius which defines a Lagrangian boundary layer is shown to be very sharp with a sudden increase of the acceleration flatness from about 5 to about 20.

Temperature dependence of exchange bias in (NiFe/IrMn)n multilayer films studied through static and dynamic techniques

NASA Astrophysics Data System (ADS)

Adams, Daniel J.; Khanal, Shankar; Khan, Mohammad Asif; Maksymov, Artur; Spinu, Leonard

2018-05-01

The in-plane temperature dependence of exchange bias was studied through both dc magnetometry and ferromagnetic resonance spectroscopy in a series of [NiFe/IrMn]n multilayer films, where n is the number of layer repetitions. Major hysteresis loops were recorded in the temperature range of 300 K to 2 K to reveal the effect of temperature on the exchange bias in the static regime while temperature-dependent continuous-wave ferromagnetic resonance for frequencies from 3 to 16 GHz was used to determine the exchange bias dynamically. Strong divergence between the values of exchange bias determined using the two different types of measurements as well as a peak in temperature dependence of the resonance linewidth were observed. These results are explained in terms of the slow-relaxer mechanism.

Modeling Disturbance Dynamics in Transitional and Turbulent Boundary Layers

NASA Technical Reports Server (NTRS)

Grosch, C. E.; Gatski, T. B. (Technical Monitor)

2002-01-01

The dynamics of an ensemble of linear disturbances in boundary-layer flows at various Reynolds numbers is studied through an analysis of the transport equations for the mean disturbance kinetic energy and energy dissipation rate. Effects of adverse and favorable pressure-gradients on the disturbance dynamics are also included in the analysis. Unlike the fully turbulent regime where nonlinear phase scrambling of the fluctuations affects the flow field even in proximity to the wall, the early stage transition regime fluctuations studied here are influenced across the boundary layer by the solid boundary. In addition, the dominating dynamics in the disturbance kinetic energy equation is governed by the energy production, pressure-transport and viscous diffusion - also in contrast to the fully turbulent regime. For the disturbance dissipation rate, a dynamic balance exists between the destruction and diffusion of dissipation.

An approach to the research on ion and water properties in the interphase between the plasma membrane and bulk extracellular solution.

PubMed

Hibino, Hiroshi; Takai, Madoka; Noguchi, Hidenori; Sawamura, Seishiro; Takahashi, Yasufumi; Sakai, Hideki; Shiku, Hitoshi

2017-07-01

In vivo, cells are immersed in an extracellular solution that contains a variety of bioactive substances including ions and water. Classical electrophysiological analyses of epithelial cells in the stomach and small intestine have revealed that within a distance of several hundred micrometers above their apical plasma membrane, lies an extracellular layer that shows ion concentration gradients undetectable in the bulk phase. This "unstirred layer", which contains stagnant solutes, may also exist between the bulk extracellular solution and membranes of other cells in an organism and may show different properties. On the other hand, an earlier study using a bacterial planar membrane indicated that H + released from a transporter migrates in the horizontal direction along the membrane surface much faster than it diffuses vertically toward the extracellular space. This result implies that between the membrane surface and unstirred layer, there is a "nanointerface" that has unique ionic dynamics. Advanced technologies have revealed that the nanointerface on artificial membranes possibly harbors a highly ordered assembly of water molecules. In general, hydrogen bonds are involved in formation of the ordered water structure and can mediate rapid transfer of H + between neighboring molecules. This description may match the phenomenon on the bacterial membrane. A recent study has suggested that water molecules in the nanointerface regulate the gating of K + channels. Here, the region comprising the unstirred layer and nanointerface is defined as the interphase between the plasma membrane and bulk extracellular solution (iMES). This article briefly describes the physicochemical properties of ions and water in the iMES and their physiological significance. We also describe the methodologies that are currently used or will be applicable to the interphase research.

The inner core thermodynamics of the tropical cyclone boundary layer

NASA Astrophysics Data System (ADS)

Williams, Gabriel J.

2016-10-01

Although considerable progress has been made in understanding the inner-core dynamics of the tropical cyclone boundary layer (TCBL), our knowledge of the inner-core thermodynamics of the TCBL remains limited. In this study, the inner-core budgets of potential temperature (θ), specific humidity ( q), and reversible equivalent potential temperature (θ _e) are examined using a high-resolution multilevel boundary layer model. The potential temperature budgets show that the heat energy is dominated by latent heat release in the eyewall, evaporative cooling along the outer edge of the eyewall, and upward surface fluxes of sensible and latent heat from the underlying warm ocean. It is shown that the vertical θ advection overcompensates the sum of radial advective warming from the boundary layer outflow jet and latent heating for the development of cooling in the eyewall within the TCBL. The moisture budgets show the dominant upward transport of moisture in the eyewall updrafts, partly by the boundary-layer outflow jet from the bottom eye region, so that the eyewall remains nearly saturated. The θ _e budgets reveal that the TCBL is maintained thermodynamically by the upward surface flux of higher-θ _e air from the underlying warm ocean, the radial transport of low-θ _e air from the outer regions of the TCBL, and the dry adiabatic cooling associated by eyewall updrafts. These results underscore the significance of vertical motion and the location of the boundary layer outflow jet in maintaining the inner core thermal structure of the TCBL.

High-Temperature Carbon Deposition on Oxide Surfaces by CO Disproportionation

PubMed Central

2016-01-01

Carbon deposition due to the inverse Boudouard reaction (2CO → CO2 + C) has been studied on yttria-stabilized zirconia (YSZ), Y2O3, and ZrO2 in comparison to CH4 by a variety of different chemical, structural, and spectroscopic characterization techniques, including electrochemical impedance spectroscopy (EIS), Fourier-transform infrared (FT-IR) spectroscopy and imaging, Raman spectroscopy, and electron microscopy. Consentaneously, all experimental methods prove the formation of a more or less conducting carbon layer (depending on the used oxide) of disordered nanocrystalline graphite covering the individual grains of the respective pure oxides after treatment in flowing CO at temperatures above ∼1023 K. All measurements show that during carbon deposition, a more or less substantial surface reduction of the oxides takes place. These results, therefore, reveal that the studied pure oxides can act as efficient nonmetallic substrates for CO-induced growth of highly distorted graphitic carbon with possible important technological implications especially with respect to treatment in pure CO or CO-rich syngas mixtures. Compared to CH4, more carbon is generally deposited in CO under otherwise similar experimental conditions. Although Raman and electron microscopy measurements do not show substantial differences in the structure of the deposited carbon layers, in particular, electrochemical impedance measurements reveal major differences in the dynamic growth process of the carbon layer, eventually leading to less percolated islands and suppressed metallic conductivity in comparison to CH4-induced graphite. PMID:26877828

High-pressure X-ray diffraction, Raman, and computational studies of MgCl2 up to 1 Mbar: Extensive pressure stability of the β-MgCl2 layered structure.

PubMed

Stavrou, Elissaios; Yao, Yansun; Zaug, Joseph M; Bastea, Sorin; Kalkan, Bora; Konôpková, Zuzana; Kunz, Martin

2016-08-12

Magnesium chloride (MgCl2) with the rhombohedral layered CdCl2-type structure (α-MgCl2) has been studied experimentally using synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy using a diamond-anvil cell up to 100 GPa at room temperature and theoretically using first-principles density functional calculations. The results reveal a pressure-induced second-order structural phase transition to a hexagonal layered CdI2-type structure (β-MgCl2) at 0.7 GPa: the stacking sequence of the Cl anions are altered resulting in a reduction of the c-axis length. Theoretical calculations confirm this phase transition sequence and the calculated transition pressure is in excellent agreement with the experiment. Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phase. According to our experimental results MgCl2 remains in a 2D layered phase up to 100 GPa and further, the 6-fold coordination of Mg cations is retained. Theoretical calculations of relative enthalpy suggest that this extensive pressure stability is due to a low enthalpy of the layered structure ruling out kinetic barrier effects. This observation is unusual, as it contradicts with the general structural behavior of highly compressed AB2 compounds.

High-pressure X-ray diffraction, Raman, and computational studies of MgCl 2 up to 1 Mbar: Extensive pressure stability of the β-MgCl 2 layered structure

DOE PAGES

Stavrou, Elissaios; Yao, Yansun; Zaug, Joseph M.; ...

2016-08-12

We studied magnesium chloride (MgCl 2) with the rhombohedral layered CdCl 2-type structure (α-MgCl 2), experimentally, using synchrotron angle-dispersive powder x-ray diffraction and Raman spectroscopy using a diamond-anvil cell up to 100 GPa at room temperature and theoretically using first-principles density functional calculations. Our results reveal a pressure-induced second-order structural phase transition to a hexagonal layered CdI 2-type structure (β-MgCl 2) at 0.7 GPa: the stacking sequence of the Cl anions are altered resulting in a reduction of the c-axis length. Theoretical calculations confirm this phase transition sequence and the calculated transition pressure is in excellent agreement with the experiment.more » Lattice dynamics calculations also reproduce the experimental Raman spectra measured for the ambient and high-pressure phase. According to our experimental results MgCl 2 remains in a 2D layered phase up to 100 GPa and further, the 6-fold coordination of Mg cations is retained. Theoretical calculations of relative enthalpy suggest that this extensive pressure stability is due to a low enthalpy of the layered structure ruling out kinetic barrier effects. Our observation is unusual, as it contradicts with the general structural behavior of highly compressed AB 2 compounds.« less

Observations and simulations of the bottom nepheloid layer in the Lafourche Trough, Louisiana Continental Shelf

NASA Astrophysics Data System (ADS)

Jolliff, J.; Jarosz, E.; Penko, A.; Smith, T.

2017-12-01

The "Lafourche Trough" is a mud/silt -dominated, elongate seafloor depression located between transgressive sandy shoals approximately 50 km south of Cocodrie, Louisiana. These irregular bathymetric features are relicts of the abandoned Lafourche delta complex that still have an impact upon coupled sediment-hydrodynamic processes occurring today. Repeated optical and physical oceanographic surveys conducted during the spring of 2015 and winter 2017 reveal persistent bottom nepheloid layers (BNLs) characterized by extreme optical turbidity (beam attenuation 10 m-1, 532 nm). The manifestation and persistence of cohesive sediment BNLs in this area appears to result from a complex interplay between tidal currents, bathymetry, and frontal dynamics along the edge of the Mississippi River plume. Numerical experiments were performed using the Coupled Ocean Atmosphere Mesoscale Prediction System (COAMPS), an integrated air-sea-wave operational forecasting tool, that includes a simplified numerical sediment resuspension and transport scheme in order to simulate the nepheloid layer observations through the trough. The model results suggest that the wave-current bottom boundary layer is a critical factor in BNL development, and thusly, without wave model integration into COAMPS the system struggles to replicate the observations. Future modeling work will need to explore the potential suppression of physical mixing due to density perturbations along the BNL to fluid mud continuum within the bottom boundary layer.

Dynamic thermal field-induced gradient soft-shear for highly oriented block copolymer thin films.

PubMed

Singh, Gurpreet; Yager, Kevin G; Berry, Brian; Kim, Ho-Cheol; Karim, Alamgir

2012-11-27

As demand for smaller, more powerful, and energy-efficient devices continues, conventional patterning technologies are pushing up against fundamental limits. Block copolymers (BCPs) are considered prime candidates for a potential solution via directed self-assembly of nanostructures. We introduce here a facile directed self-assembly method to rapidly fabricate unidirectionally aligned BCP nanopatterns at large scale, on rigid or flexible template-free substrates via a thermally induced dynamic gradient soft-shear field. A localized differential thermal expansion at the interface between a BCP film and a confining polydimethylsiloxane (PDMS) layer due to a dynamic thermal field imposes the gradient soft-shear field. PDMS undergoes directional expansion (along the annealing direction) in the heating zone and contracts back in the cooling zone, thus setting up a single cycle of oscillatory shear (maximum lateral shear stress ∼12 × 10(4) Pa) in the system. We successfully apply this process to create unidirectional alignment of BCP thin films over a wide range of thicknesses (nm to μm) and processing speeds (μm/s to mm/s) using both a flat and patterned PDMS layer. Grazing incidence small-angle X-ray scattering measurements show absolutely no sign of isotropic population and reveal ≥99% aligned orientational order with an angular spread Δθ(fwhm) ≤ 5° (full width at half-maximum). This method may pave the way to practical industrial use of hierarchically patterned BCP nanostructures.

Nonlinear dynamics of mushy layers induced by external stochastic fluctuations.

PubMed

Alexandrov, Dmitri V; Bashkirtseva, Irina A; Ryashko, Lev B

2018-02-28

The time-dependent process of directional crystallization in the presence of a mushy layer is considered with allowance for arbitrary fluctuations in the atmospheric temperature and friction velocity. A nonlinear set of mushy layer equations and boundary conditions is solved analytically when the heat and mass fluxes at the boundary between the mushy layer and liquid phase are induced by turbulent motion in the liquid and, as a result, have the corresponding convective form. Namely, the 'solid phase-mushy layer' and 'mushy layer-liquid phase' phase transition boundaries as well as the solid fraction, temperature and concentration (salinity) distributions are found. If the atmospheric temperature and friction velocity are constant, the analytical solution takes a parametric form. In the more common case when they represent arbitrary functions of time, the analytical solution is given by means of the standard Cauchy problem. The deterministic and stochastic behaviour of the phase transition process is analysed on the basis of the obtained analytical solutions. In the case of stochastic fluctuations in the atmospheric temperature and friction velocity, the phase transition interfaces (mushy layer boundaries) move faster than in the deterministic case. A cumulative effect of these noise contributions is revealed as well. In other words, when the atmospheric temperature and friction velocity fluctuate simultaneously due to the influence of different external processes and phenomena, the phase transition boundaries move even faster. This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'.This article is part of the theme issue 'From atomistic interfaces to dendritic patterns'. © 2018 The Author(s).

Exciton Dynamics and Many Body Interactions in Layered Semiconducting Materials Revealed with Non-linear Coherent Spectroscopy

NASA Astrophysics Data System (ADS)

Dey, Prasenjit

Atomically thin, semiconducting transition metal dichalogenides (TMDs), a special class of layered semiconductors, that can be shaped as a perfect two dimensional material, have garnered a lot of attention owing to their fascinating electronic properties which are achievable at the extreme nanoscale. In contrast to graphene, the most celebrated two-dimensional (2D) material thus far; TMDs exhibit a direct band gap in the monolayer regime. The presence of a non-zero bandgap along with the broken inversion symmetry in the monolayer limit brands semiconducting TMDs as the perfect candidate for future optoelectronic and valleytronics-based device application. These remarkable discoveries demand exploration of different materials that possess similar properties alike TMDs. Recently, III-VI layered semiconducting materials (example: InSe, GaSe etc.) have also emerged as potential materials for optical device based applications as, similar to TMDs, they can be shaped into a perfect two-dimensional form as well as possess a sizable band gap in their nano-regime. The perfect 2D character in layered materials cause enhancement of strong Coulomb interaction. As a result, excitons, a coulomb bound quasiparticle made of electron-hole pair, dominate the optical properties near the bandgap. The basis of development for future optoelectronic-based devices requires accurate characterization of the essential properties of excitons. Two fundamental parameters that characterize the quantum dynamics of excitons are: a) the dephasing rate, gamma, which represents the coherence loss due to the interaction of the excitons with their environment (for example- phonons, impurities, other excitons, etc.) and b) excited state population decay rate arising from radiative and non-radiative relaxation processes. The dephasing rate is representative of the time scale over which excitons can be coherently manipulated, therefore accurately probing the source of exciton decoherence is crucial for understanding the basic unexplored science as well as creating technological developments. The dephasing dynamics in semiconductors typically occur in the picosecond to femtosecond timescale, thus the use of ultrafast laser spectroscopy is a potential route to probe such excitonic responses. The focus of this dissertation is two-fold: firstly, to develop the necessary instrumentation to accurately probe the aforementioned parameters and secondly, to explore the quantum dynamics and the underlying many-body interactions in different layered semiconducting materials. A custom-built multidimensional optical non-linear spectrometer was developed in order to perform two-dimensional spectroscopic (2DFT) measurements. The advantages of this technique are multifaceted compared to regular one-dimensional and non-linear incoherent techniques. 2DFT technique is based on an enhanced version of Four wave mixing experiments. This powerful tool is capable of identifying the resonant coupling, probing the coherent pathways, unambiguously extracting the homogeneous linewidth in the presence of inhomogeneity and decomposing a complex spectra into real and imaginary parts. It is not possible to uncover such crucial features by employing one dimensional non-linear technique. Monolayers as well as bulk TMDs and group III-VI bulk layered materials are explored in this dissertation. The exciton quantum dynamics is explored with three pulse four-wave mixing whereas the phase sensitive measurements are obtained by employing two-dimensional Fourier transform spectroscopy. Temperature and excitation density dependent 2DFT experiments unfold the information associated with the many-body interactions in the layered semiconducting samples.

Variations of the ionospheric parameters obtained from ground based measurements of ULF magnetic noise

NASA Astrophysics Data System (ADS)

Ermakova, Elena; Kotik, Dmitry; Bösinger, Tilmann

2016-07-01

The dynamics of the amplitude spectra and polarization parameter (epsilon)[1] of magnetic ULF noise were investigated during different seasons and high geomagnetic activity time using the data on the horizontal magnetic components monitoring at mid-latitude (New Life, Russia, 56 N, 46 E) and low-latitude stations (Crete, 35.15 N, 25.20 E). It was found that abrupt changes in the spectral polarization parameters can be linked as with variation of height of maximum and the electron density of the F-layer, and with a change in ionospheric parameters profiles at lower altitudes, for example, with the appearance of sporadic Es-layers and intermediate layers, located between the E and F-layers. It was detected the peculiarities in the daily dynamics of the epsilon parameter at low latitudes: a) the appearance in some cases more complicated than in the mid-latitudes, epsilon structure of the spectrum associated with the presence of two different values of the boundary frequency fB [2]; b) a decreasing of fB near local midnight observed in 70% of cases; c) observation of typical for dark time epsilon spectra after sunrise in the winter season. The numerical calculations of epsilon parameter were made using the IRI-2012 model with setting the models of sporadic and intermediate layers. The results revealed the dependence of the polarization spectra of the intensity and height of such thin layers. The specific changes in the electron density at altitudes of 80-350 km during the recovery phase of strong magnetic storms were defined basing on a comparative analysis of the experimental spectra and the results of the numerical calculations. References. 1. E. N. Ermakova, D. S. Kotik, A. V.Ryabov, A. V.Pershin, T. B.osinger, and Q. Zhou, Studying the variation of the broadband spectral maximum parameters in the natural ULF fields, Radiophysics and Quantum Electronics, Vol. 55, No. 10-11, March, 2013 p. 605-615. 2. T. Bosinger, A. G. Demekhov, E. N. Ermakova, C. Haldoupis and Q. Zhou, Pulsating nighttime magnetic background noise in the upper ULF band at low latitudes, J.Geophys. Res., 2014, Space Physics, 119, doi:10.1002/2014JA019906.

Contour junctions defined by dynamic image deformations enhance perceptual transparency.

PubMed

Kawabe, Takahiro; Nishida, Shin'ya

2017-11-01

The majority of work on the perception of transparency has focused on static images with luminance-defined contour junctions, but recent work has shown that dynamic image sequences with dynamic image deformations also provide information about transparency. The present study demonstrates that when part of a static image is dynamically deformed, contour junctions at which deforming and nondeforming contours are connected facilitate the deformation-based perception of a transparent layer. We found that the impression of a transparent layer was stronger when a dynamically deforming area was adjacent to static nondeforming areas than when presented alone. When contour junctions were not formed at the dynamic-static boundaries, however, the impression of a transparent layer was not facilitated by the presence of static surrounding areas. The effect of the deformation-defined junctions was attenuated when the spatial pattern of luminance contrast at the junctions was inconsistent with the perceived transparency related to luminance contrast, while the effect did not change when the spatial luminance pattern was consistent with it. In addition, the results showed that contour completions across the junctions were required for the perception of a transparent layer. These results indicate that deformation-defined junctions that involve contour completion between deforming and nondeforming regions enhance the perception of a transparent layer, and that the deformation-based perceptual transparency can be promoted by the simultaneous presence of appropriately configured luminance and contrast-other features that can also by themselves produce the sensation of perceiving transparency.

An efficient routing strategy for traffic dynamics on two-layer complex networks

NASA Astrophysics Data System (ADS)

Ma, Jinlong; Wang, Huiling; Zhang, Zhuxi; Zhang, Yi; Duan, Congwen; Qi, Zhaohui; Liu, Yu

2018-05-01

In order to alleviate traffic congestion on multilayer networks, designing an efficient routing strategy is one of the most important ways. In this paper, a novel routing strategy is proposed to reduce traffic congestion on two-layer networks. In the proposed strategy, the optimal paths in the physical layer are chosen by comprehensively considering the roles of nodes’ degrees of the two layers. Both numerical and analytical results indicate that our routing strategy can reasonably redistribute the traffic load of the physical layer, and thus the traffic capacity of two-layer complex networks are significantly enhanced compared with the shortest path routing (SPR) and the global awareness routing (GAR) strategies. This study may shed some light on the optimization of networked traffic dynamics.

Cooling schemes for two-component fermions in layered optical lattices

NASA Astrophysics Data System (ADS)

Goto, Shimpei; Danshita, Ippei

2017-12-01

Recently, a cooling scheme for ultracold atoms in a bilayer optical lattice has been proposed (A. Kantian et al., arXiv:1609.03579). In their scheme, the energy offset between the two layers is increased dynamically such that the entropy of one layer is transferred to the other layer. Using the full-Hilbert-space approach, we compute cooling dynamics subjected to the scheme in order to show that their scheme fails to cool down two-component fermions. We develop an alternative cooling scheme for two-component fermions, in which the spin-exchange interaction of one layer is significantly reduced. Using both full-Hilbert-space and matrix-product-state approaches, we find that our scheme can decrease the temperature of the other layer by roughly half.

Extended asymmetric-cut multilayer X-ray gratings.

PubMed

Prasciolu, Mauro; Haase, Anton; Scholze, Frank; Chapman, Henry N; Bajt, Saša

2015-06-15

The fabrication and characterization of a large-area high-dispersion blazed grating for soft X-rays based on an asymmetric-cut multilayer structure is reported. An asymmetric-cut multilayer structure acts as a perfect blazed grating of high efficiency that exhibits a single diffracted order, as described by dynamical diffraction throughout the depth of the layered structure. The maximum number of grating periods created by cutting a multilayer deposited on a flat substrate is equal to the number of layers deposited, which limits the size of the grating. The size limitation was overcome by depositing the multilayer onto a substrate which itself is a coarse blazed grating and then polish it flat to reveal the uniformly spaced layers of the multilayer. The number of deposited layers required is such that the multilayer thickness exceeds the step height of the substrate structure. The method is demonstrated by fabricating a 27,060 line pairs per mm blazed grating (36.95 nm period) that is repeated every 3,200 periods by the 120-μm period substrate structure. This preparation technique also relaxes the requirements on stress control and interface roughness of the multilayer film. The dispersion and efficiency of the grating is demonstrated for soft X-rays of 13.2 nm wavelength.

The 1.5-ka varved record of Lake Montcortès (southern Pyrenees, NE Spain)

NASA Astrophysics Data System (ADS)

Corella, Juan Pablo; Brauer, Achim; Mangili, Clara; Rull, Valentí; Vegas-Vilarrúbia, Teresa; Morellón, Mario; Valero-Garcés, Blas L.

2012-09-01

The karstic Lake Montcortès sedimentary sequence spanning the last 1548 yr constitutes the first continuous, high-resolution, multi-proxy varved record in northern Spain. Sediments consist of biogenic varves composed of calcite, organic matter and detrital laminae and turbidite layers. Calcite layer thickness and internal sub-layering indicate changes in water temperature and seasonality whereas the frequency of detrital layers reflects rainfall variability. Higher temperatures occurred in Lake Montcortès in AD 555-738, 825-875, 1010-1322 and 1874-present. Lower temperatures and prolonged winter conditions were recorded in AD 1446-1598, 1663-1711 and 1759-1819. Extreme and multiple precipitation events dominated in AD 571-593, 848-922, 987-1086, 1168-1196, 1217-1249, 1444-1457, 1728-1741 and 1840-1875, indicating complex hydrological variability in NE Spain since AD 463. The sedimentary record of Lake Montcortès reveals a short-term relation between rainfall variability and the detrital influx, pronounced during extended periods of reduced anthropogenic influences. In pre-industrial times, during warm climate episodes, population and land use increased in the area. After the onset of the industrialization, the relationship between climate and human activities decoupled and population dynamics and landscape modifications were therefore mostly determined by socio-economic factors.

The sensitivity of primary productivity to intra-seasonal mixed layer variability in the sub-Antarctic Zone of the Atlantic Ocean

NASA Astrophysics Data System (ADS)

Joubert, W. R.; Swart, S.; Tagliabue, A.; Thomalla, S. J.; Monteiro, P. M. S.

2014-03-01

The seasonal cycle of primary productivity is impacted by seasonal and intra-seasonal dynamics of the mixed layer through the changing balance between mixing and buoyancy forcing, which regulates nutrient supply and light availability. Of particular recent interest is the role of synoptic scale events in supplying nutrients, particularly iron, to the euphotic zone in the Sub Antarctic Zone (SAZ), where phytoplankton blooms occur throughout summer. In this study, we present high resolution measurements of net community production (NCP) constrained by ΔO2/Ar ratios, and mixed layer depth (MLD) in the Atlantic SAZ. We found a non-linear relationship between NCP and MLD, with the highest and most variable NCP observed in shallow MLDs (< 45 m). We propose that NCP variability in the SAZ may be driven by alternating states of synoptic-scale deepening of the mixed layer, leading to the entrainment of iron (dFe), followed by restratification, allowing rapid growth in an iron replete, high light environment. Synoptic iron fluxes into the euphotic zone based on water column dFe profiles and high resolution glider MLD data, reveal a potentially significant contribution of "new iron" which could sustain NCP throughout summer. Future process studies will help elaborate these findings further.

The polygalacturonase gene BcMF2 from Brassica campestris is associated with intine development

PubMed Central

Huang, Li; Cao, Jiashu; Zhang, Aihong; Ye, Yiqun; Zhang, Yuchao; Liu, Tingting

2009-01-01

Brassica campestris Male Fertility 2 (BcMF2) is a putative polygalacturonase (PG) gene previously isolated from the flower bud of Chinese cabbage (Brassica campestris L. ssp. chinensis Makino, syn. B. rapa ssp. chinensis). This gene was found to be expressed specifically in tapetum and pollen after the tetrad stage of anther development. Antisense RNA technology was used to study the function of BcMF2 in Chinese cabbage. Scanning and transmission electron microscopy revealed that there were deformities in the transgenic mature pollen grains such as abnormal location of germinal furrows. In addition, the homogeneous pectic exintine layer facing the exterior seemed to be overdeveloped and predominantly occupied the intine, thus reversing the normal proportional distribution of the internal endintine layer and the external exintine layer. Since it is a continuation of the intine layer, the pollen tube wall could not grow normally. This resulted in the formation of a balloon-like swelling structure in the pollen tube tip in nearly 80% of the transgenic pollen grains. Premature degradation of tapetum was also found in these transgenic plants, which displayed decreased expression of the BcMF2 gene. BcMF2 might therefore encode a new PG with an important role in pollen wall development, possibly via regulation of pectin's dynamic metabolism. PMID:19039102

Stimulus-evoked outer segment changes in rod photoreceptors

NASA Astrophysics Data System (ADS)

Zhao, Xiaohui; Thapa, Damber; Wang, Benquan; Lu, Yiming; Gai, Shaoyan; Yao, Xincheng

2016-06-01

Rod-dominated transient retinal phototropism (TRP) has been recently observed in freshly isolated mouse and frog retinas. Comparative confocal microscopy and optical coherence tomography revealed that the TRP was predominantly elicited from the rod outer segment (OS). However, the biophysical mechanism of rod OS dynamics is still unknown. Mouse and frog retinal slices, which displayed a cross-section of retinal photoreceptors and other functional layers, were used to test the effect of light stimulation on rod OSs. Time-lapse microscopy revealed stimulus-evoked conformational changes of rod OSs. In the center of the stimulated region, the length of the rod OS shrunk, while in the peripheral region, the rod OS swung toward the center region. Our experimental observation and theoretical analysis suggest that the TRP may reflect unbalanced rod disc-shape changes due to localized visible light stimulation.

Stimulus-evoked outer segment changes in rod photoreceptors

PubMed Central

Zhao, Xiaohui; Thapa, Damber; Wang, Benquan; Lu, Yiming; Gai, Shaoyan; Yao, Xincheng

2016-01-01

Abstract. Rod-dominated transient retinal phototropism (TRP) has been recently observed in freshly isolated mouse and frog retinas. Comparative confocal microscopy and optical coherence tomography revealed that the TRP was predominantly elicited from the rod outer segment (OS). However, the biophysical mechanism of rod OS dynamics is still unknown. Mouse and frog retinal slices, which displayed a cross-section of retinal photoreceptors and other functional layers, were used to test the effect of light stimulation on rod OSs. Time-lapse microscopy revealed stimulus-evoked conformational changes of rod OSs. In the center of the stimulated region, the length of the rod OS shrunk, while in the peripheral region, the rod OS swung toward the center region. Our experimental observation and theoretical analysis suggest that the TRP may reflect unbalanced rod disc-shape changes due to localized visible light stimulation. PMID:27334933

[Canopy vertical structure and understory plant regeneration of an evergreen broadleaved forest in Damingshan, Guangxi, China.

PubMed

Zhou, Xiao Guo; Wen, Yuan Guang; Zhu, Hong Guang; Wang, Lei; Li, Xiao Qiong

2017-02-01

In order to reveal the dynamics of canopy vertical structure and its effects on understory regeneration, we built 24 permanent plots (20 m×20 m) on the upslope, midslopeand downslope, respectively, in a typical evergreen broadleaved forest in Damingshan, Guangxi, China. We measured the crown area of each tree with diameter at breast height (DBH)≥1.0 cm, and surveyed the understory regeneration in growing season from 2009 to 2011. The results showed that the total canopy cover significantly increased from 54.0% in 2009 to 67.4% in 2011 after the frozen disaster in 2008. A significant difference existed in the cover and increment of different canopy layers. The canopy cover in the upper layers was markedly higher than that in the middle and lower layers. The increment of canopy coverage in the middle and lower layers was significantly higher than that in the upper layer. There were 55 regenerated woody plant species, and the dominant families and species of regenerated plants were in accord with those in the evergreen broadleaved forest. Biodiversity index of regenerated plants in the same slope position was significantly different among different years, and no significant difference was observed among different slope positions in the same year. The correlation between the coverage at different canopy layers and the species richness and abundance of regenerated plants was not significant. Total canopy cover and canopy coverage at the middle and lower layers were significantly negatively correlated with the Shannon index, Simpson index, and Pielou evenness index of the understory regenerated plants. It indicated that canopy coverage had a significant influence on the regeneration of understory, and the middle and lower layers had a stronger influence on the biodiversity of regenerated plants.

Layer-switching cost and optimality in information spreading on multiplex networks

PubMed Central

Min, Byungjoon; Gwak, Sang-Hwan; Lee, Nanoom; Goh, K. -I.

2016-01-01

We study a model of information spreading on multiplex networks, in which agents interact through multiple interaction channels (layers), say online vs. offline communication layers, subject to layer-switching cost for transmissions across different interaction layers. The model is characterized by the layer-wise path-dependent transmissibility over a contact, that is dynamically determined dependently on both incoming and outgoing transmission layers. We formulate an analytical framework to deal with such path-dependent transmissibility and demonstrate the nontrivial interplay between the multiplexity and spreading dynamics, including optimality. It is shown that the epidemic threshold and prevalence respond to the layer-switching cost non-monotonically and that the optimal conditions can change in abrupt non-analytic ways, depending also on the densities of network layers and the type of seed infections. Our results elucidate the essential role of multiplexity that its explicit consideration should be crucial for realistic modeling and prediction of spreading phenomena on multiplex social networks in an era of ever-diversifying social interaction layers. PMID:26887527

Global assessment of benthic nepheloid layers and linkage with upper ocean dynamics

NASA Astrophysics Data System (ADS)

Gardner, Wilford D.; Richardson, Mary Jo; Mishonov, Alexey V.

2018-01-01

Global maps of the maximum bottom concentration, thickness, and integrated particle mass in benthic nepheloid layers are published here to support collaborations to understand deep ocean sediment dynamics, linkage with upper ocean dynamics, and assessing the potential for scavenging of adsorption-prone elements near the deep ocean seafloor. Mapping the intensity of benthic particle concentrations from natural oceanic processes also provides a baseline that will aid in quantifying the industrial impact of current and future deep-sea mining. Benthic nepheloid layers have been mapped using 6,392 full-depth profiles made during 64 cruises using our transmissometers mounted on CTDs in multiple national/international programs including WOCE, SAVE, JGOFS, CLIVAR-Repeat Hydrography, and GO-SHIP during the last four decades. Intense benthic nepheloid layers are found in areas where eddy kinetic energy in overlying waters, mean kinetic energy 50 m above bottom (mab), and energy dissipation in the bottom boundary layer are near the highest values in the ocean. Areas of intense benthic nepheloid layers include the Western North Atlantic, Argentine Basin in the South Atlantic, parts of the Southern Ocean and areas around South Africa. Benthic nepheloid layers are weak or absent in most of the Pacific, Indian, and Atlantic basins away from continental margins. High surface eddy kinetic energy is associated with the Kuroshio Current east of Japan. Data south of the Kuroshio show weak nepheloid layers, but no transmissometer data exist beneath the Kuroshio, a deficiency that should be remedied to increase understanding of eddy dynamics in un-sampled and under-sampled oceanic areas.

Our Dynamic Sun (Hannes Alfvén Medal Lecture)

NASA Astrophysics Data System (ADS)

Priest, Eric

2017-04-01

The Sun, an object of worship for early civilisations, is the main source of light and life on Earth and of our space weather, with many subtle effects on our environment. The lecture will introduce you to the Sun and its dynamic phenomena, and will aim to show how our understanding of many aspects of the Sun has been revolutionized over the past few years by current spacecraft observations and models. Much of the dynamic behaviour is driven by the magnetic field since, in the outer atmosphere (or corona), it represents by far the largest source of energy. The interior of the Sun, revealed by solar seismology, possesses a strong shear layer at the base of the convection zone, where sunspot magnetic fields are generated. But a small-scale dynamo is also operating near the surface of the Sun, generating magnetic fields that thread the lowest layer of the solar atmosphere, the photosphere, in a turbulent convective state. Above the photosphere lies the highly dynamic fine-scale chromosphere and beyond that the rare corona at high temperatures exceeding one million degrees K. Magnetic mechanisms for heating the corona (an intriguing puzzle) will be described. Other puzzles include the structure of giant flux ropes, known as prominences, which have complex fine structure. Occasionally, they erupt and produce huge ejections of mass and magnetic field (coronal mass ejections), which can disrupt the space environment of the Earth. When such eruptions originate in active regions around sunspots, they are also associated with solar flares, where magnetic energy is converted to kinetic, heat and fast particle energy. A new theory will be presented for the origin of the twist that is observed in erupting prominences.

Unique aspects of the structure and dynamics of elementary Iβ cellulose microfibrils revealed by computational simulations.

PubMed

Oehme, Daniel P; Downton, Matthew T; Doblin, Monika S; Wagner, John; Gidley, Michael J; Bacic, Antony

2015-05-01

The question of how many chains an elementary cellulose microfibril contains is critical to understanding the molecular mechanism(s) of cellulose biosynthesis and regulation. Given the hexagonal nature of the cellulose synthase rosette, it is assumed that the number of chains must be a multiple of six. We present molecular dynamics simulations on three different models of Iβ cellulose microfibrils, 18, 24, and 36 chains, to investigate their structure and dynamics in a hydrated environment. The 36-chain model stays in a conformational space that is very similar to the initial crystalline phase, while the 18- and 24-chain models sample a conformational space different from the crystalline structure yet similar to conformations observed in recent high-temperature molecular dynamics simulations. Major differences in the conformations sampled between the different models result from changes to the tilt of chains in different layers, specifically a second stage of tilt, increased rotation about the O2-C2 dihedral, and a greater sampling of non-TG exocyclic conformations, particularly the GG conformation in center layers and GT conformation in solvent-exposed exocyclic groups. With a reinterpretation of nuclear magnetic resonance data, specifically for contributions made to the C6 peak, data from the simulations suggest that the 18- and 24-chain structures are more viable models for an elementary cellulose microfibril, which also correlates with recent scattering and diffraction experimental data. These data inform biochemical and molecular studies that must explain how a six-particle cellulose synthase complex rosette synthesizes microfibrils likely comprised of either 18 or 24 chains. © 2015 American Society of Plant Biologists. All Rights Reserved.

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

NASA Astrophysics Data System (ADS)

Shevyrnogov, Anatoly; Vysotskaya, Galina

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

Chimera states in a multilayer network of coupled and uncoupled neurons

NASA Astrophysics Data System (ADS)

Majhi, Soumen; Perc, Matjaž; Ghosh, Dibakar

2017-07-01

We study the emergence of chimera states in a multilayer neuronal network, where one layer is composed of coupled and the other layer of uncoupled neurons. Through the multilayer structure, the layer with coupled neurons acts as the medium by means of which neurons in the uncoupled layer share information in spite of the absence of physical connections among them. Neurons in the coupled layer are connected with electrical synapses, while across the two layers, neurons are connected through chemical synapses. In both layers, the dynamics of each neuron is described by the Hindmarsh-Rose square wave bursting dynamics. We show that the presence of two different types of connecting synapses within and between the two layers, together with the multilayer network structure, plays a key role in the emergence of between-layer synchronous chimera states and patterns of synchronous clusters. In particular, we find that these chimera states can emerge in the coupled layer regardless of the range of electrical synapses. Even in all-to-all and nearest-neighbor coupling within the coupled layer, we observe qualitatively identical between-layer chimera states. Moreover, we show that the role of information transmission delay between the two layers must not be neglected, and we obtain precise parameter bounds at which chimera states can be observed. The expansion of the chimera region and annihilation of cluster and fully coherent states in the parameter plane for increasing values of inter-layer chemical synaptic time delay are illustrated using effective range measurements. These results are discussed in the light of neuronal evolution, where the coexistence of coherent and incoherent dynamics during the developmental stage is particularly likely.

Study on dynamic deformation synchronized measurement technology of double-layer liquid surfaces

NASA Astrophysics Data System (ADS)

Tang, Huiying; Dong, Huimin; Liu, Zhanwei

2017-11-01

Accurate measurement of the dynamic deformation of double-layer liquid surfaces plays an important role in many fields, such as fluid mechanics, biomechanics, petrochemical industry and aerospace engineering. It is difficult to measure dynamic deformation of double-layer liquid surfaces synchronously for traditional methods. In this paper, a novel and effective method for full-field static and dynamic deformation measurement of double-layer liquid surfaces has been developed, that is wavefront distortion of double-wavelength transmission light with geometric phase analysis (GPA) method. Double wavelength lattice patterns used here are produced by two techniques, one is by double wavelength laser, and the other is by liquid crystal display (LCD). The techniques combine the characteristics such as high transparency, low reflectivity and fluidity of liquid. Two color lattice patterns produced by laser and LCD were adjusted at a certain angle through the tested double-layer liquid surfaces simultaneously. On the basis of the refractive indexes difference of two transmitted lights, the double-layer liquid surfaces were decoupled with GPA method. Combined with the derived relationship between phase variation of transmission-lattice patterns and out-of plane heights of two surfaces, as well as considering the height curves of the liquid level, the double-layer liquid surfaces can be reconstructed successfully. Compared with the traditional measurement method, the developed method not only has the common advantages of the optical measurement methods, such as high-precision, full-field and non-contact, but also simple, low cost and easy to set up.

Parameterization of the proline analogue Aze (azetidine-2-carboxylic acid) for molecular dynamics simulations and evaluation of its effect on homo-pentapeptide conformations.

PubMed

Bessonov, Kyrylo; Vassall, Kenrick A; Harauz, George

2013-02-01

We have parameterized and evaluated the proline homologue Aze (azetidine-2-carboxylic acid) for the gromos56a3 force-field for use in molecular dynamics simulations using GROMACS. Using bi-phasic cyclohexane/water simulation systems and homo-pentapeptides, we measured the Aze solute interaction potential energies, ability to hydrogen bond with water, and overall compaction, for comparison to Pro, Gly, and Lys. Compared to Pro, Aze has a slightly higher H-bonding potential, and stronger electrostatic but weaker non-electrostatic interactions with water. The 20-ns simulations revealed the preferential positioning of Aze and Pro at the interface of the water and cyclohexane layers, with Aze spending more time in the aqueous layer. We also demonstrated through simulations of the homo-pentapeptides that Aze has a greater propensity than Pro to undergo trans→cis peptide bond isomerization, which results in a severe 180° bend in the polypeptide chain. The results provide evidence for the hypothesis that the misincorporation of Aze within proline-rich regions of proteins could disrupt the formation of poly-proline type II structures and compromise events such as recognition and binding by SH3-domains. Copyright © 2012 Elsevier Inc. All rights reserved.

Modeling the Dynamics and Export of Dissolved Organic Matter in the Northeastern U.S. Continental Shelf

NASA Technical Reports Server (NTRS)

Druon, J.N.; Mannino, A.; Signorini, Sergio R.; McClain, Charles R.; Friedrichs, M.; Wilkin, J.; Fennel, K.

2009-01-01

Continental shelves are believed to play a major role in carbon cycling due to their high productivity. Particulate organic carbon (POC) burial has been included in models as a carbon sink, but we show here that seasonally produced dissolved organic carbon (DOC) on the shelf can be exported to the open ocean by horizontal transport at similar rates (1-2 mol C/sq m/yr) in the southern U.S. Mid-Atlantic Bight (MAB). The dissolved organic matter (DOM) model imbedded in a coupled circulation-biogeochemical model reveals a double dynamics: the progressive release of dissolved organic nitrogen (DON) in the upper layer during summer increases the regenerated primary production by 30 to 300%, which, in turns ; enhances the DOC production mainly from phytoplankton exudation in the upper layer and solubilization of particulate organic matter (POM) deeper in the water column. This analysis suggests that DOM is a key element for better representing the ecosystem functioning and organic fluxes in models because DOM (1) is a major organic pool directly related to primary production, (2) decouples partially the carbon and nitrogen cycles (through carbon excess uptake, POM solubilization and DOM mineralization) and (3) is intimately linked to the residence time of water masses for its distribution and export.

Complex Pattern Formation from Current-Driven Dynamics of Single-Layer Epitaxial Islands on Crystalline Conducting Substrates

NASA Astrophysics Data System (ADS)

Kumar, Ashish; Dasgupta, Dwaipayan; Maroudas, Dimitrios

We report a systematic study of complex pattern formation resulting from the driven dynamics of single-layer homoepitaxial islands on face-centered cubic (FCC) crystalline conducting substrate surfaces under the action of an externally applied electric field. The analysis is based on an experimentally validated nonlinear model of mass transport via island edge atomic diffusion, which also accounts for edge diffusional anisotropy. We analyze the morphological stability and simulate the field-driven evolution of rounded islands for an electric field oriented along the fast diffusion direction. For larger than critical island sizes on {110} and {100} FCC substrates, we show that multiple necking instabilities generate complex island patterns, including void-containing islands, mediated by sequences of breakup and coalescence events and distributed symmetrically with respect to the electric field direction. We analyze the dependence of the formed patterns on the original island size and on the duration of application of the external field. Starting from a single large rounded island, we characterize the evolution of the number of daughter islands and their average size and uniformity. The analysis reveals that the pattern formation kinetics follows a universal scaling relation. Division of Materials Sciences & Engineering, Office of Basic Energy Sciences, U.S. Department of Energy (Award No.: DE-FG02-07ER46407).

Important aspects of Eastern Mediterranean large-scale variability revealed from data of three fixed observatories

NASA Astrophysics Data System (ADS)

Bensi, Manuel; Velaoras, Dimitris; Cardin, Vanessa; Perivoliotis, Leonidas; Pethiakis, George

2015-04-01

Long-term variations of temperature and salinity observed in the Adriatic and Aegean Seas seem to be regulated by larger-scale circulation modes of the Eastern Mediterranean (EMed) Sea, such as the recently discovered feedback mechanisms, namely the BiOS (Bimodal Oscillating System) and the internal thermohaline pump theories. These theories are the results of interpretation of many years' observations, highlighting possible interactions between two key regions of the EMed. Although repeated oceanographic cruises carried out in the past or planned for the future are a very useful tool for understanding the interaction between the two basins (e.g. alternating dense water formation, salt ingressions), recent long time-series of high frequency (up to 1h) sampling have added valuable information to the interpretation of internal mechanisms for both areas (i.e. mesoscale eddies, evolution of fast internal processes, etc.). During the last 10 years, three deep observatories were deployed and maintained in the Adriatic, Ionian, and Aegean Seas: they are respectively, the E2-M3A, the Pylos, and the E1-M3A. All are part of the largest European network of Fixed Point Open Ocean Observatories (FixO3, http://www.fixo3.eu/). Herein, from the analysis of temperature and salinity, and potential density time series collected at the three sites from the surface down to the intermediate and deep layers, we will discuss the almost perfect anti-correlated behavior between the Adriatic and the Aegean Seas. Our data, collected almost continuously since 2006, reveal that these observatories well represent the thermohaline variability of their own areas. Interestingly, temperature and salinity in the intermediate layer suddenly increased in the South Adriatic from the end of 2011, exactly when they started decreasing in the Aegean Sea. Moreover, Pylos data used together with additional ones (e.g. Absolute dynamic topography, temperature and salinity data from other platforms) collected along the typical pathway of the Levantine/Cretan intermediate waters towards the Adriatic Sea, reveal variability of the subsurface/intermediate layers (100-400m depth), which could possibly be attributed to seasonal variability or influences from dynamical features such as the Pelops Gyre. References Bensi, M., V. Cardin, A. Rubino, G. Notarstefano, and P. M. Poulain (2013), Effects of winter convection on the deep layer of the Southern Adriatic Sea in 2012, J. Geophys. Res. Oceans, 118, doi:10.1002/2013JC009432. Velaoras, D., G. Krokos, K. Nittis, and A. Theocharis (2014), Dense intermediate water outflow from the Cretan Sea: A salinity driven, recurrent phenomenon, connected to thermohaline circulation changes, J. Geophys. Res. Oceans, 119, doi:10.1002/2014JC009937.

Sensor-based atomic layer deposition for rapid process learning and enhanced manufacturability

NASA Astrophysics Data System (ADS)

Lei, Wei

In the search for sensor based atomic layer deposition (ALD) process to accelerate process learning and enhance manufacturability, we have explored new reactor designs and applied in-situ process sensing to W and HfO 2 ALD processes. A novel wafer scale ALD reactor, which features fast gas switching, good process sensing compatibility and significant similarity to the real manufacturing environment, is constructed. The reactor has a unique movable reactor cap design that allows two possible operation modes: (1) steady-state flow with alternating gas species; or (2) fill-and-pump-out cycling of each gas, accelerating the pump-out by lifting the cap to employ the large chamber volume as ballast. Downstream quadrupole mass spectrometry (QMS) sampling is applied for in-situ process sensing of tungsten ALD process. The QMS reveals essential surface reaction dynamics through real-time signals associated with byproduct generation as well as precursor introduction and depletion for each ALD half cycle, which are then used for process learning and optimization. More subtle interactions such as imperfect surface saturation and reactant dose interaction are also directly observed by QMS, indicating that ALD process is more complicated than the suggested layer-by-layer growth. By integrating in real-time the byproduct QMS signals over each exposure and plotting it against process cycle number, the deposition kinetics on the wafer is directly measured. For continuous ALD runs, the total integrated byproduct QMS signal in each ALD run is also linear to ALD film thickness, and therefore can be used for ALD film thickness metrology. The in-situ process sensing is also applied to HfO2 ALD process that is carried out in a furnace type ALD reactor. Precursor dose end-point control is applied to precisely control the precursor dose in each half cycle. Multiple process sensors, including quartz crystal microbalance (QCM) and QMS are used to provide real time process information. The sensing results confirm the proposed surface reaction path and once again reveal the complexity of ALD processes. The impact of this work includes: (1) It explores new ALD reactor designs which enable the implementation of in-situ process sensors for rapid process learning and enhanced manufacturability; (2) It demonstrates in the first time that in-situ QMS can reveal detailed process dynamics and film growth kinetics in wafer-scale ALD process, and thus can be used for ALD film thickness metrology. (3) Based on results from two different processes carried out in two different reactors, it is clear that ALD is a more complicated process than normally believed or advertised, but real-time observation of the operational chemistries in ALD by in-situ sensors provides critical insight to the process and the basis for more effective process control for ALD applications.

Coupling of the hydration water dynamics and the internal dynamics of actin detected by quasielastic neutron scattering

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

Fujiwara, Satoru, E-mail: fujiwara.satoru@jaea.go.jp; Plazanet, Marie; Oda, Toshiro

2013-02-15

Highlights: ► Quasielastic neutron scattering spectra of F-actin and G-actin were measured. ► Analysis of the samples in D{sub 2}O and H{sub 2}O provided the spectra of hydration water. ► The first layer hydration water around F-actin is less mobile than around G-actin. ► This difference in hydration water is in concert with the internal dynamics of actin. ► Water outside the first layer behaves bulk-like but influenced by the first layer. -- Abstract: In order to characterize dynamics of water molecules around F-actin and G-actin, quasielastic neutron scattering experiments were performed on powder samples of F-actin and G-actin, hydratedmore » either with D{sub 2}O or H{sub 2}O, at hydration ratios of 0.4 and 1.0. By combined analysis of the quasielastic neutron scattering spectra, the parameter values characterizing the dynamics of the water molecules in the first hydration layer and those of the water molecules outside of the first layer were obtained. The translational diffusion coefficients (D{sub T}) of the hydration water in the first layer were found to be 1.2 × 10{sup −5} cm{sup 2}/s and 1.7 × 10{sup −5} cm{sup 2}/s for F-actin and G-actin, respectively, while that for bulk water was 2.8 × 10{sup −5} cm{sup 2}/s. The residence times were 6.6 ps and 5.0 ps for F-actin and G-actin, respectively, while that for bulk water was 0.62 ps. These differences between F-actin and G-actin, indicating that the hydration water around G-actin is more mobile than that around F-actin, are in concert with the results of the internal dynamics of F-actin and G-actin, showing that G-actin fluctuates more rapidly than F-actin. This implies that the dynamics of the hydration water is coupled to the internal dynamics of the actin molecules. The D{sub T} values of the water molecules outside of the first hydration layer were found to be similar to that of bulk water though the residence times are strongly affected by the first hydration layer. This supports the recent observation on intracellular water that shows bulk-like behavior.« less

Unexpected behavior of ultra-thin films of blends of polystyrene/poly(vinyl methyl ether) studied by specific heat spectroscopy

NASA Astrophysics Data System (ADS)

Madkour, Sherif; Szymoniak, Paulina; Schick, Christoph; Schönhals, Andreas

2017-05-01

Specific heat spectroscopy (SHS) employing AC nanochip calorimetry was used to investigate the glassy dynamics of ultra-thin films (thicknesses: 10 nm-340 nm) of a polymer blend, which is miscible in the bulk. In detail, a Poly(vinyl methyl ether) (PVME)/Polystyrene (PS) blend with the composition of 25/75 wt. % was studied. The film thickness was controlled by ellipsometry while the film topography was checked by atomic force microscopy. The results are discussed in the framework of the balance between an adsorbed and a free surface layer on the glassy dynamics. By a self-assembling process, a layer with a reduced mobility is irreversibly adsorbed at the polymer/substrate interface. This layer is discussed employing two different scenarios. In the first approach, it is assumed that a PS-rich layer is adsorbed at the substrate. Whereas in the second approach, a PVME-rich layer is suggested to be formed at the SiO2 substrate. Further, due to the lower surface tension of PVME, with respect to air, a nanometer thick PVME-rich surface layer, with higher molecular mobility, is formed at the polymer/air interface. By measuring the glassy dynamics of the thin films of PVME/PS in dependence on the film thickness, it was shown that down to 30 nm thicknesses, the dynamic Tg of the whole film was strongly influenced by the adsorbed layer yielding a systematic increase in the dynamic Tg with decreasing the film thickness. However, at a thickness of ca. 30 nm, the influence of the mobile surface layer becomes more pronounced. This results in a systematic decrease in Tg with the further decrease of the film thickness, below 30 nm. These results were discussed with respect to thin films of PVME/PS blend with a composition of 50/50 wt. % as well as literature results.

Inducible knock-down of GNOM during root formation reveals tissue-specific response to auxin transport and its modulation of local auxin biosynthesis

PubMed Central

Sun, Meng-Xiang

2014-01-01

In plants, active transport of auxin plays an essential role in root development. Localization of the PIN1 auxin transporters to the basal membrane of cells directs auxin flow and depends on the trafficking mediator GNOM. GNOM-dependent auxin transport is vital for root development and thus offers a useful tool for the investigation of a possible tissue-specific response to dynamic auxin transport. To avoid pleiotropic effects, DEX-inducible expression of GNOM antisense RNA was used to disrupt GNOM expression transiently or persistently during embryonic root development. It was found that the elongation zone and the pericycle layer are the most sensitive to GNOM-dependent auxin transport variations, which is shown by the phenotypes in cell elongation and the initiation of lateral root primordia, respectively. This suggests that auxin dynamics is critical to cell differentiation and cell fate transition, but not to cell division. The results also reveal that GNOM-dependent auxin transport could affect local auxin biosynthesis. This suggests that local auxin biosynthesis may also contribute to the establishment of GNOM-dependent auxin gradients in specific tissues, and that auxin transport and local auxin biosynthesis may function together in the regulatory network for initiation and development of lateral root primordia. Thus, the data reveal a tissue-specific response to auxin transport and modulation of local auxin biosynthesis by auxin transport. PMID:24453227

Mediodorsal Thalamic Neurons Mirror the Activity of Medial Prefrontal Neurons Responding to Movement and Reinforcement during a Dynamic DNMTP Task

PubMed Central

Miller, Rikki L.A.

2017-01-01

Abstract The mediodorsal nucleus (MD) interacts with medial prefrontal cortex (mPFC) to support learning and adaptive decision-making. MD receives driver (layer 5) and modulatory (layer 6) projections from PFC and is the main source of driver thalamic projections to middle cortical layers of PFC. Little is known about the activity of MD neurons and their influence on PFC during decision-making. We recorded MD neurons in rats performing a dynamic delayed nonmatching to position (dDNMTP) task and compared results to a previous study of mPFC with the same task (Onos et al., 2016). Criterion event-related responses were observed for 22% (254/1179) of neurons recorded in MD, 237 (93%) of which exhibited activity consistent with mPFC response types. More MD than mPFC neurons exhibited responses related to movement (45% vs. 29%) and reinforcement (51% vs. 27%). MD had few responses related to lever presses, and none related to preparation or memory delay, which constituted 43% of event-related activity in mPFC. Comparison of averaged normalized population activity and population response times confirmed the broad similarity of common response types in MD and mPFC and revealed differences in the onset and offset of some response types. Our results show that MD represents information about actions and outcomes essential for decision-making during dDNMTP, consistent with evidence from lesion studies that MD supports reward-based learning and action-selection. These findings support the hypothesis that MD reinforces task-relevant neural activity in PFC that gives rise to adaptive behavior. PMID:29034318

Mediodorsal Thalamic Neurons Mirror the Activity of Medial Prefrontal Neurons Responding to Movement and Reinforcement during a Dynamic DNMTP Task.

PubMed

Miller, Rikki L A; Francoeur, Miranda J; Gibson, Brett M; Mair, Robert G

2017-01-01

The mediodorsal nucleus (MD) interacts with medial prefrontal cortex (mPFC) to support learning and adaptive decision-making. MD receives driver (layer 5) and modulatory (layer 6) projections from PFC and is the main source of driver thalamic projections to middle cortical layers of PFC. Little is known about the activity of MD neurons and their influence on PFC during decision-making. We recorded MD neurons in rats performing a dynamic delayed nonmatching to position (dDNMTP) task and compared results to a previous study of mPFC with the same task (Onos et al., 2016). Criterion event-related responses were observed for 22% (254/1179) of neurons recorded in MD, 237 (93%) of which exhibited activity consistent with mPFC response types. More MD than mPFC neurons exhibited responses related to movement (45% vs. 29%) and reinforcement (51% vs. 27%). MD had few responses related to lever presses, and none related to preparation or memory delay, which constituted 43% of event-related activity in mPFC. Comparison of averaged normalized population activity and population response times confirmed the broad similarity of common response types in MD and mPFC and revealed differences in the onset and offset of some response types. Our results show that MD represents information about actions and outcomes essential for decision-making during dDNMTP, consistent with evidence from lesion studies that MD supports reward-based learning and action-selection. These findings support the hypothesis that MD reinforces task-relevant neural activity in PFC that gives rise to adaptive behavior.

Characterization of the Electric Double Layer Formation Dynamics of a Metal/Ionic Liquid/Metal Structure.

PubMed

Schmidt, Elliot; Shi, Sha; Ruden, P Paul; Frisbie, C Daniel

2016-06-15

Although ionic liquids (ILs) have been used extensively in recent years as a high-capacitance "dielectric" in electric double layer transistors, the dynamics of the double layer formation have remained relatively unexplored. Better understanding of the dynamics and relaxation processes involved in electric double layer formation will guide device optimization, particularly with regard to switching speed. In this paper, we explore the dynamical characteristics of an IL in a metal/ionic liquid/metal (M/IL/M) capacitor. In particular, we examine a Au/IL/Au structure where the IL is 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate. The experiments consist of frequency-dependent impedance measurements and time-dependent current vs voltage measurements for applied linear voltage ramps and abrupt voltage steps. The parameters of an equivalent circuit model are determined by fits to the impedance vs frequency data and subsequently verified by calculating the current vs voltage characteristics for the applied potential profiles. The data analysis indicates that the dynamics of the structure are characterized by a wide distribution of relaxation times spanning the range of less than microseconds to longer than seconds. Possible causes for these time scales are discussed.

The disappearance and reappearance of Titan's detached haze layer

NASA Astrophysics Data System (ADS)

West, Robert; Rannou, Pascal; Lavvas, Panayotis; Seignovert, Benoit; Turtle, Elizabeth P.; Perry, Jason; Ovanessian, Aida; Roy, Mou

2016-10-01

Titan's extended haze is a prominent and long-lived feature of the atmosphere that encompasses a rich variety of chemical, dynamical and microphysical processes operating over a wide range of temporal and spatial scales. The so-called 'detached' haze layer is easily seen in high-resolution short-wave (near-UV and blue wavelengths) images and is a consequence of a nearly global (outside of the winter polar hood region) layer depleted in aerosol content. It was first seen near 350 Km altitude in Voyager images (Rages and Pollack, 1983) and later observed by the Cassini ISS cameras (Porco et al., 2005; West et al., 2010) and UV stellar occultation profiles (Koskinen et al. 2011). A series of Cassini images from 2009 to 2010 revealed what appears to be a seasonally related altitude variation with remarkable regularity (comparing the Voyager and Cassini images). The drop in altitude is most rapid at equinox. Here we report on images of the upper haze layer over the period 2012 to early 2016. In the early part of this period the detached haze continued to drop in altitude and disappeared. There was no evidence for it beginning late in 2012 and extending to early 2016 when it was again detected with very low contrast at an altitude near 500 Km. We document this behavior and examine the evolution of the haze as functions of both latitude and time. These new details put additional constraints on models that attempt to account for the existence of the detached layer. Part of this work was done by the Jet Propulsion Laboratory, California Institute of Technology. References: Rages, K., and J. B. Pollack (1983), Vertical distribution of scattering hazes in Titan's upper atmosphere, Icarus, 55, 50-62, doi:10.1016/0019-1035 (83)90049-0; Porco, C. C. et al., Imaging Titan from the Cassini Spacecraft, Nature 434, 159-168 (2005); West, R. A. et al., The evolution of Titans detached haze layer near equinox in 2009", Geophys. Res. Lett. 38, L06204, doi:10.1029/2011GL046843, 2011; Koskinen T.T., et al., The mesosphere and lower thermosphere of Titan revealed by Cassini/UVIS stellar occultations, Icarus 216 507534, 2011.

Is repulsion good for the health of chimeras?

NASA Astrophysics Data System (ADS)

Jalan, Sarika; Ghosh, Saptarshi; Patra, Bibhabasu

2017-10-01

Yes! Very much so. A chimera state refers to the coexistence of a coherent-incoherent dynamical evolution of identically coupled oscillators. We investigate the impact of multiplexing of a layer having repulsively coupled oscillators on the occurrence of chimeras in the layer having attractively coupled identical oscillators. We report that there exists an enhancement in the appearance of the chimera state in one layer of the multiplex network in the presence of repulsive coupling in the other layer. Furthermore, we show that a small amount of inhibition or repulsive coupling in one layer is sufficient to yield the chimera state in another layer by destroying its synchronized behavior. These results can be used to obtain insight into dynamical behaviors of those systems where both attractive and repulsive couplings exist among their constituents.

Predictions and Experimental Microstructural Characterization of High Strain Rate Failure Modes in Layered Aluminum Composites

NASA Astrophysics Data System (ADS)

Khanikar, Prasenjit

Different aluminum alloys can be combined, as composites, for tailored dynamic applications. Most investigations pertaining to metallic alloy layered composites, however, have been based on quasi-static approaches. The dynamic failure of layered metallic composites, therefore, needs to be characterized in terms of strength, toughness, and fracture response. A dislocation-density based crystalline plasticity formulation, finite-element techniques, rational crystallographic orientation relations and a new fracture methodology were used to predict the failure modes associated with the high strain rate behavior of aluminum layered composites. Two alloy layers, a high strength alloy, aluminum 2195, and an aluminum alloy 2139, with high toughness, were modeled with representative microstructures that included precipitates, dispersed particles, and different grain boundary (GB) distributions. The new fracture methodology, based on an overlap method and phantom nodes, is used with a fracture criteria specialized for fracture on different cleavage planes. One of the objectives of this investigation, therefore, was to determine the optimal arrangements of the 2139 and 2195 aluminum alloys for a metallic layered composite that would combine strength, toughness and fracture resistance for high strain-rate applications. Different layer arrangements were investigated for high strain-rate applications, and the optimal arrangement was with the high toughness 2139 layer on the bottom, which provided extensive shear strain localization, and the high strength 2195 layer on the top for high strength resistance. The layer thickness of the bottom high toughness layer also affected the bending behavior of the roll-boned interface and the potential delamination of the layers. Shear strain localization, dynamic cracking and delamination were the mutually competing failure mechanisms for the layered metallic composite, and control of these failure modes can be optimized for high strain-rate applications. The second major objective of this investigation was the use of recently developed dynamic fracture formulations to model and analyze the crack nucleation and propagation of aluminum layered composites subjected to high strain rate loading conditions and how microstructural effects, such as precipitates, dispersed particles, and GB orientations affect failure evolution. This dynamic fracture approach is used to investigate crack nucleation and crack growth as a function of the different microstructural characteristics of each alloy in layered composites with and without pre-existing cracks. The zigzag nature of the crack paths were mainly due to the microstructural features, such as precipitates and dispersed particles distributions and orientations ahead of the crack front, and it underscored the capabilities of the fracture methodology. The evolution of dislocation density and the formation of localized shear slip contributed to the blunting of the propagating crack. Extensive geometrical and thermal softening due to the localized plastic slip also affected crack path orientations and directions. These softening mechanisms resulted in the switching of cleavage planes, which affected crack path orientations. Interface delamination can also have an important role in the failure and toughening of the layered composites. Different scenarios of delamination were investigated, such as planar crack growth and crack penetration into the layers. The presence of brittle surface oxide platelets in the interface region also significantly influenced the interface delamination process. Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM) and Optical Microscopy (OM) characterization provided further physical insights and validation of the predictive capabilities. The inherent microstructural features of each alloy play a significant role in the dynamic fracture, shear strain localization, and interface delamination of the layered metallic composite. These microstructural features, such as precipitates, dispersed particles, and GB orientations and distributions can be optimized for desired behavior of metallic composites.

Structure of water clusters on graphene: A classical molecular dynamics approach

NASA Astrophysics Data System (ADS)

Maekawa, Yuki; Sasaoka, Kenji; Yamamoto, Takahiro

2018-03-01

The microscopic structure of surface water adsorbed on graphene is elucidated theoretically by classical molecular dynamics simulation. At a low temperature (100 K), the main polygon consisting of hydrogen bonds in single-layered water on graphene is tetragonal, whereas the dominant polygons in double-layered water are tetragonal, pentagonal, and hexagonal. On the other hand, at room temperature, the tetragonal, pentagonal, and hexagonal water clusters are the main structures in both single- and double-layered water.

Self-similarity in the inertial region of wall turbulence.

PubMed

Klewicki, J; Philip, J; Marusic, I; Chauhan, K; Morrill-Winter, C

2014-12-01

The inverse of the von Kármán constant κ is the leading coefficient in the equation describing the logarithmic mean velocity profile in wall bounded turbulent flows. Klewicki [J. Fluid Mech. 718, 596 (2013)] connects the asymptotic value of κ with an emerging condition of dynamic self-similarity on an interior inertial domain that contains a geometrically self-similar hierarchy of scaling layers. A number of properties associated with the asymptotic value of κ are revealed. This is accomplished using a framework that retains connection to invariance properties admitted by the mean statement of dynamics. The development leads toward, but terminates short of, analytically determining a value for κ. It is shown that if adjacent layers on the hierarchy (or their adjacent positions) adhere to the same self-similarity that is analytically shown to exist between any given layer and its position, then κ≡Φ(-2)=0.381966..., where Φ=(1+√5)/2 is the golden ratio. A number of measures, derived specifically from an analysis of the mean momentum equation, are subsequently used to empirically explore the veracity and implications of κ=Φ(-2). Consistent with the differential transformations underlying an invariant form admitted by the governing mean equation, it is demonstrated that the value of κ arises from two geometric features associated with the inertial turbulent motions responsible for momentum transport. One nominally pertains to the shape of the relevant motions as quantified by their area coverage in any given wall-parallel plane, and the other pertains to the changing size of these motions in the wall-normal direction. In accord with self-similar mean dynamics, these two features remain invariant across the inertial domain. Data from direct numerical simulations and higher Reynolds number experiments are presented and discussed relative to the self-similar geometric structure indicated by the analysis, and in particular the special form of self-similarity shown to correspond to κ=Φ(-2).

The tropopause inversion layer in baroclinic life cycles experiments: the role of diabatic and mixing processes

NASA Astrophysics Data System (ADS)

Kunkel, D.; Hoor, P.; Wirth, V.

2015-08-01

Recent studies on the formation of a quasi-permanent layer of enhanced static stability above the thermal tropopause revealed the contributions of dynamical and radiative processes. Dry dynamics lead to the evolution of a tropopause inversion layer (TIL) which is, however, too weak compared to observations and thus diabatic contributions are required. In this study we aim to assess the importance of diabatic as well as mixing processes in the understanding of TIL formation at midlatitudes. The non-hydrostatic model COSMO is applied in an idealized mid-latitude channel configuration to simulate baroclinic life cycles. The effect of individual diabatic, i.e. related to humidity and radiation, and turbulent processes is studied first to estimate the additional contribution of these processes to dry dynamics. In a second step these processes are stepwise included in the model to increase the complexity and finally estimate the relative importance of each process. The results suggest that including turbulence leads to a weaker TIL than in a dry reference simulation. In contrast, the TIL evolves stronger when radiation is included but the temporal occurrence is still comparable to the reference. Using various cloud schemes in the model shows that latent heat release and consecutive increased vertical motions foster an earlier and stronger appearance of the TIL than in all other life cycles. Furthermore, updrafts moisten the upper troposphere and as such increase the radiative effect from water vapor. Particularly, this process becomes more relevant for maintaining the TIL during later stages of the life cycles. Increased convergence of the vertical wind induced by updrafts and by propagating and potentially dissipating inertia-gravity waves further contributes to the enhanced stability of the lower stratosphere. Furthermore, radiative feedback of ice clouds reaching up to the tropopause is identified to potentially further affect the strength of the TIL in the region of the cloud.

The tropopause inversion layer in baroclinic life-cycle experiments: the role of diabatic processes

NASA Astrophysics Data System (ADS)

Kunkel, D.; Hoor, P.; Wirth, V.

2016-01-01

Recent studies on the formation of a quasi-permanent layer of enhanced static stability above the thermal tropopause revealed the contributions of dynamical and radiative processes. Dry dynamics leads to the evolution of a tropopause inversion layer (TIL), which is, however, too weak compared to observations and thus diabatic contributions are required. In this study we aim to assess the importance of diabatic processes in the understanding of TIL formation at midlatitudes. The non-hydrostatic model COSMO (COnsortium for Small-scale MOdelling) is applied in an idealized midlatitude channel configuration to simulate baroclinic life cycles. The effect of individual diabatic processes related to humidity, radiation, and turbulence is studied first to estimate the contribution of each of these processes to the TIL formation in addition to dry dynamics. In a second step these processes are stepwise included in the model to increase the complexity and finally estimate the relative importance of each process. The results suggest that including turbulence leads to a weaker TIL than in a dry reference simulation. In contrast, the TIL evolves stronger when radiation is included but the temporal evolution is still comparable to the reference. Using various cloud schemes in the model shows that latent heat release and consecutive increased vertical motions foster an earlier and stronger appearance of the TIL than in all other life cycles. Furthermore, updrafts moisten the upper troposphere and as such increase the radiative effect from water vapor. Particularly, this process becomes more relevant for maintaining the TIL during later stages of the life cycles. Increased convergence of the vertical wind induced by updrafts and by propagating inertia-gravity waves, which potentially dissipate, further contributes to the enhanced stability of the lower stratosphere. Finally, radiative feedback of ice clouds reaching up to the tropopause is identified to potentially further affect the strength of the TIL in the region of the clouds.

Long-Range Interactions Restrict Water Transport in Pyrophyllite Interlayers

DOE PAGES

Zarzycki, Piotr; Gilbert, Benjamin

2016-04-27

Water diffusion within smectite clay interlayers is reduced by confinement and hence is highly determined by the interlayer spacings that are adopted during swelling. However, a molecular understanding of the short-and long-range forces governing interlayer water structure and dynamics is lacking. Using molecular dynamics simulations of water intercalated between pyrophyllite (smectite prototype) layers we provide a detailed picture of the variation of interlayered water mobility accompanying smectite expansion. Subtle changes in hydrogen bond network structure cause significant changes in water mobility that is greater for stable hydration states and reduced for intermediate separations. By studying pyrophyllite with and without externalmore » water we reveal that long-range electrostatic forces apply a restraining effect upon interlayer water mobility. Our findings are relevant for broad range of confining nanostructures with walls thin enough to permit long-range interactions that could affect the mobility of confined solvent molecules and solute species.« less

Urinary cell-free DNA is a versatile analyte for monitoring infections of the urinary tract.

PubMed

Burnham, Philip; Dadhania, Darshana; Heyang, Michael; Chen, Fanny; Westblade, Lars F; Suthanthiran, Manikkam; Lee, John Richard; De Vlaminck, Iwijn

2018-06-20

Urinary tract infections are one of the most common infections in humans. Here we tested the utility of urinary cell-free DNA (cfDNA) to comprehensively monitor host and pathogen dynamics in bacterial and viral urinary tract infections. We isolated cfDNA from 141 urine samples from a cohort of 82 kidney transplant recipients and performed next-generation sequencing. We found that urinary cfDNA is highly informative about bacterial and viral composition of the microbiome, antimicrobial susceptibility, bacterial growth dynamics, kidney allograft injury, and host response to infection. These different layers of information are accessible from a single assay and individually agree with corresponding clinical tests based on quantitative PCR, conventional bacterial culture, and urinalysis. In addition, cfDNA reveals the frequent occurrence of pathologies that remain undiagnosed with conventional diagnostic protocols. Our work identifies urinary cfDNA as a highly versatile analyte to monitor infections of the urinary tract.

A corticothalamic switch: controlling the thalamus with dynamic synapses

PubMed Central

Crandall, Shane R.; Cruikshank, Scott J.; Connors, Barry W.

2015-01-01

SUMMARY Corticothalamic neurons provide massive input to the thalamus. This top-down projection may allow cortex to regulate sensory processing by modulating the excitability of thalamic cells. Layer 6 corticothalamic neurons monosynaptically excite thalamocortical cells, but also indirectly inhibit them by driving inhibitory cells of the thalamic reticular nucleus. Whether corticothalamic activity generally suppresses or excites the thalamus remains unclear. Here we show that the corticothalamic influence is dynamic, with the excitatory-inhibitory balance shifting in an activity-dependent fashion. During low-frequency activity corticothalamic effects are mainly suppressive, whereas higher frequency activity (even a short bout of gamma frequency oscillations) converts the corticothalamic influence to enhancement. The mechanism of this switching depends upon distinct forms of short-term synaptic plasticity across multiple corticothalamic circuit components. Our results reveal an activity-dependent mechanism by which corticothalamic neurons can bidirectionally switch the excitability and sensory throughput of the thalamus, possibly to meet changing behavioral demands. PMID:25913856

Computational Investigation of Fluidic Counterflow Thrust Vectoring

NASA Technical Reports Server (NTRS)

Hunter, Craig A.; Deere, Karen A.

1999-01-01

A computational study of fluidic counterflow thrust vectoring has been conducted. Two-dimensional numerical simulations were run using the computational fluid dynamics code PAB3D with two-equation turbulence closure and linear Reynolds stress modeling. For validation, computational results were compared to experimental data obtained at the NASA Langley Jet Exit Test Facility. In general, computational results were in good agreement with experimental performance data, indicating that efficient thrust vectoring can be obtained with low secondary flow requirements (less than 1% of the primary flow). An examination of the computational flowfield has revealed new details about the generation of a countercurrent shear layer, its relation to secondary suction, and its role in thrust vectoring. In addition to providing new information about the physics of counterflow thrust vectoring, this work appears to be the first documented attempt to simulate the counterflow thrust vectoring problem using computational fluid dynamics.

Cavitation erosion - scale effect and model investigations

NASA Astrophysics Data System (ADS)

Geiger, F.; Rutschmann, P.

2015-12-01

The experimental works presented in here contribute to the clarification of erosive effects of hydrodynamic cavitation. Comprehensive cavitation erosion test series were conducted for transient cloud cavitation in the shear layer of prismatic bodies. The erosion pattern and erosion rates were determined with a mineral based volume loss technique and with a metal based pit count system competitively. The results clarified the underlying scale effects and revealed a strong non-linear material dependency, which indicated significantly different damage processes for both material types. Furthermore, the size and dynamics of the cavitation clouds have been assessed by optical detection. The fluctuations of the cloud sizes showed a maximum value for those cavitation numbers related to maximum erosive aggressiveness. The finding suggests the suitability of a model approach which relates the erosion process to cavitation cloud dynamics. An enhanced experimental setup is projected to further clarify these issues.

Long-Range Interactions Restrict Water Transport in Pyrophyllite Interlayers

PubMed Central

Zarzycki, Piotr; Gilbert, Benjamin

2016-01-01

Water diffusion within smectite clay interlayers is reduced by confinement and hence is highly determined by the interlayer spacings that are adopted during swelling. However, a molecular understanding of the short- and long-range forces governing interlayer water structure and dynamics is lacking. Using molecular dynamics simulations of water intercalated between pyrophyllite (smectite prototype) layers we provide a detailed picture of the variation of interlayered water mobility accompanying smectite expansion. Subtle changes in hydrogen bond network structure cause significant changes in water mobility that is greater for stable hydration states and reduced for intermediate separations. By studying pyrophyllite with and without external water we reveal that long-range electrostatic forces apply a restraining effect upon interlayer water mobility. Our findings are relevant for broad range of confining nanostructures with walls thin enough to permit long-range interactions that could affect the mobility of confined solvent molecules and solute species. PMID:27118164

Resonant spatiotemporal learning in large random recurrent networks.

PubMed

Daucé, Emmanuel; Quoy, Mathias; Doyon, Bernard

2002-09-01

Taking a global analogy with the structure of perceptual biological systems, we present a system composed of two layers of real-valued sigmoidal neurons. The primary layer receives stimulating spatiotemporal signals, and the secondary layer is a fully connected random recurrent network. This secondary layer spontaneously displays complex chaotic dynamics. All connections have a constant time delay. We use for our experiments a Hebbian (covariance) learning rule. This rule slowly modifies the weights under the influence of a periodic stimulus. The effect of learning is twofold: (i) it simplifies the secondary-layer dynamics, which eventually stabilizes to a periodic orbit; and (ii) it connects the secondary layer to the primary layer, and realizes a feedback from the secondary to the primary layer. This feedback signal is added to the incoming signal, and matches it (i.e., the secondary layer performs a one-step prediction of the forthcoming stimulus). After learning, a resonant behavior can be observed: the system resonates with familiar stimuli, which activates a feedback signal. In particular, this resonance allows the recognition and retrieval of partial signals, and dynamic maintenance of the memory of past stimuli. This resonance is highly sensitive to the temporal relationships and to the periodicity of the presented stimuli. When we present stimuli which do not match in time or space, the feedback remains silent. The number of different stimuli for which resonant behavior can be learned is analyzed. As with Hopfield networks, the capacity is proportional to the size of the second, recurrent layer. Moreover, the high capacity displayed allows the implementation of our model on real-time systems interacting with their environment. Such an implementation is reported in the case of a simple behavior-based recognition task on a mobile robot. Finally, we present some functional analogies with biological systems in terms of autonomy and dynamic binding, and present some hypotheses on the computational role of feedback connections.

Metagenomics Reveals Microbial Community Composition And Function With Depth In Arctic Permafrost Cores

NASA Astrophysics Data System (ADS)

Jansson, J.; Tas, N.; Wu, Y.; Ulrich, C.; Kneafsey, T. J.; Torn, M. S.; Hubbard, S. S.; Chakraborty, R.; Graham, D. E.; Wullschleger, S. D.

2013-12-01

The Arctic is one of the most climatically sensitive regions on Earth and current surveys show that permafrost degradation is widespread in arctic soils. Biogeochemical feedbacks of permafrost thaw are expected to be dominated by the release of currently stored carbon back into the atmosphere as CO2 and CH4. Understanding the dynamics of C release from permafrost requires assessment of microbial functions from different soil compartments. To this end, as part of the Next Generation Ecosystem Experiment in the Arctic, we collected two replicate permafrost cores (1m and 3m deep) from a transitional polygon near Barrow, AK. At this location, permafrost starts from 0.5m in depth and is characterized by variable ice content and higher pH than surface soils. Prior to sectioning, the cores were CT-scanned to determine the physical heterogeneity throughout the cores. In addition to detailed geochemical characterization, we used Illumina MiSeq technology to sequence 16SrRNA genes throughout the depths of the cores at 1 cm intervals. Selected depths were also chosen for metagenome sequencing of total DNA (including phylogenetic and functional genes) using the Illumina HiSeq platform. The 16S rRNA gene sequence data revealed that the microbial community composition and diversity changed dramatically with depth. The microbial diversity decreased sharply below the first few centimeters of the permafrost and then gradually increased in deeper layers. Based on the metagenome sequence data, the permafrost microbial communities were found to contain members with a large metabolic potential for carbon processing, including pathways for fermentation and methanogenesis. The surface active layers had more representatives of Verrucomicrobia (potential methane oxidizers) whereas the deep permafrost layers were dominated by several different species of Actinobacteria. The latter are known to have a diverse metabolic capability and are able to adapt to stress by entering a dormant yet viable state. In addition, several isolates were obtained from different depths throughout the cores, including methanogens from some of the deeper layers. Together these data present a new view of potential geochemical cycles carried out by microorganisms in permafrost and reveal how community members and functions are distributed with depth.

Modeling and dynamic properties of dual-chamber solid and liquid mixture vibration isolator

NASA Astrophysics Data System (ADS)

Li, F. S.; Chen, Q.; Zhou, J. H.

2016-07-01

The dual-chamber solid and liquid mixture (SALiM) vibration isolator, mainly proposed for vibration isolation of heavy machines with low frequency, consists of four principle parts: SALiM working media including elastic elements and incompressible oil, multi-layers bellows container, rigid reservoir and the oil tube connecting the two vessels. The isolation system under study is governed by a two-degrees-of-freedom (2-DOF) nonlinear equation including quadratic damping. Simplifying the nonlinear damping into viscous damping, the equivalent stiffness and damping model is derived from the equation for the response amplitude. Theoretical analysis and numerical simulation reveal that the isolator's stiffness and damping have multiple properties with different parameters, among which the effects of exciting frequency, vibrating amplitude, quadratic damping coefficient and equivalent stiffness of the two chambers on the isolator's dynamics are discussed in depth. Based on the boundary characteristics of stiffness and damping and the main causes for stiffness hardening effect, improvement strategies are proposed to obtain better dynamic properties. At last, experiments were implemented and the test results were generally consistent with the theoretical ones, which verified the reliability of the nonlinear dynamic model.

Role of “Hard” and “Soft” Confinement on Polymer Dynamics at the Nanoscale

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

Sharma, Ravi P.; Green, Peter F.

2017-08-11

We investigated the segmental dynamics of asymmetrically confined polymer films and report an unusual phenomenon in which the presence and thickness of a soft confining layer are responsible for significant changes in the segmental dynamics of the confined films. Specifically, the segmental dynamics of poly(vinyl alcohol) (PVA) thin films asymmetrically confined between hard aluminum (Al), and soft polystyrene (PS) films are shown to shift by as much as half an order of magnitude upon changes in the thicknesses of the confining PS layer. These effects are more significant than those due to symmetric confinement between hard Al substrates or exposuremore » to a free surface. These observations, partially rationalized in terms of recent simulations and theory, implicate the role of the moduli of the confining layers.« less

Misfit dislocation gettering by substrate pit-patterning in SiGe films on Si(001)

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

Grydlik, Martyna; Groiss, Heiko; Brehm, Moritz

2012-07-02

We show that suitable pit-patterning of a Si(001) substrate can strongly influence the nucleation and the propagation of dislocations during epitaxial deposition of Si-rich Si{sub 1-x}Ge{sub x} alloys, preferentially gettering misfit segments along pit rows. In particular, for a 250 nm layer deposited by molecular beam epitaxy at x{sub Ge} = 15%, extended film regions appear free of dislocations, by atomic force microscopy, as confirmed by transmission electron microscopy sampling. This result is quite general, as explained by dislocation dynamics simulations, which reveal the key role of the inhomogeneous distribution in stress produced by the pit-patterning.

Stability of wave processes in a rotating electrically conducting fluid

NASA Astrophysics Data System (ADS)

Peregudin, S. I.; Peregudina, E. S.; Kholodova, S. E.

2018-05-01

The paper puts forward a mathematical model of dynamics of spatial large-scale motions in a rotating layer of electrically conducting incompressible perfect fluid of variable depth with due account of dissipative effects. The resulting boundary-value problem is reduced to a vector system of partial differential equations for any values of the Reynolds number. Theoretical analysis of the so-obtained analytical solution reveals the effect of the magnetic field diffusion on the stability of the wave mode — namely, with the removed external magnetic field, the diffusion of the magnetic field promotes its damping. Besides, a criterion of stability of a wave mode is obtained.

Epidemics and dimensionality in hierarchical networks

NASA Astrophysics Data System (ADS)

Zheng, Da-Fang; Hui, P. M.; Trimper, Steffen; Zheng, Bo

2005-07-01

Epidemiological processes are studied within a recently proposed hierarchical network model using the susceptible-infected-refractory dynamics of an epidemic. Within the network model, a population may be characterized by H independent hierarchies or dimensions, each of which consists of groupings of individuals into layers of subgroups. Detailed numerical simulations reveal that for H>1, global spreading results regardless of the degree of homophily of the individuals forming a social circle. For H=1, a transition from global to local spread occurs as the population becomes decomposed into increasingly homophilous groups. Multiple dimensions in classifying individuals (nodes) thus make a society (computer network) highly susceptible to large-scale outbreaks of infectious diseases (viruses).

Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

NASA Astrophysics Data System (ADS)

Li, Kun; Gu, Boqin; Zhu, Wanfu

2017-03-01

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (Eb). It is shown that the binding energy (Eb) increase with the number of layers.

Atomic Resolution Structural and Chemical Imaging Revealing the Sequential Migration of Ni, Co, and Mn upon the Battery Cycling of Layered Cathode

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

Yan, Pengfei; Zheng, Jianming; Zhang, Ji-Guang

Layered lithium transition metal oxides (LTMO) are promising candidate cathode materials for next generation high energy density lithium ion battery. The challenge for using this category of cathode is the capacity and voltage fading, which is believed to be associated with the layered structure disordering, a process that is initiated from the surface or solid-electrolyte interface and facilitated by transition metal (TM) reduction and oxygen vacancy formation. However, the atomic level dynamic mechanism of such a layered structure disordering is still not fully clear. In this work, utilizing atomic resolution electron energy loss spectroscopy (EELS), we map, for the firstmore » time at atomic scale, the spatial evolution of Ni, Co and Mn in a cycled LiNi1/3M1/3Co1/3O2 layered cathode. In combination with atomic level structural imaging, we discovered the direct correlation of TM ions migration behavior with lattice disordering, featuring the residing of TM ions in the tetrahedral site and a sequential migration of Ni, Co, and Mn upon the increased lattice disordering of the layered structure. This work highlights that Ni ions, though acting as the dominant redox species in many LTMO, are labile to migrate to cause lattice disordering upon battery cycling; while the Mn ions are more stable as compared with Ni and Co and can act as pillar to stabilize layered structure. Direct visualization of the behavior of TM ions during the battery cycling provides insight for designing of cathode with structural stability and correspondingly a superior performance.« less

Tear Film Dynamics: the roles of complex structure and rheology

NASA Astrophysics Data System (ADS)

Dey, Mohar; Feng, James; Vivek, Atul S.; Dixit, Harish N.; Richhariya, Ashutosh

2016-11-01

Ocular surface infections such as microbial and fungal keratitis are among leading causes of blindness in the world. A thorough understanding of the pre-corneal tear film dynamics is essential to comprehend the role of various tear layer components in the escalation of such ocular infections. The pre-corneal tear film comprises of three layers of complex fluids, viz. the innermost mucin layer, a hydrophilic protective cover over the sensitive corneal epithelium, the intermediate aqueous layer that forms the bulk of the tear film and is often embedded with large number of bio-polymers either in the form of soluble mucins or pathogens, and finally the outermost lipid layer that stabilizes the film by decreasing the air/tear film interfacial tension. We have developed a comprehensive mathematical model to describe such a film by incorporating the effects of the non-uniform mucin distribution along with the complex rheology of the aqueous layer with/without pathogens, Marangoni effects from the lipid layer and the slip effects at the base of the tear film. A detailed linear stability analysis and a fully non-linear solution determine the break up time (BUT) of such a tear film. We also probe the role of the various components of the pre-corneal tear film in the dynamics of rupture.

Transonic shock-induced dynamics of a flexible wing with a thick circular-arc airfoil

NASA Technical Reports Server (NTRS)

Bennett, Robert M.; Dansberry, Bryan E.; Farmer, Moses G.; Eckstrom, Clinton V.; Seidel, David A.; Rivera, Jose A., Jr.

1991-01-01

Transonic shock boundary layer oscillations occur on rigid models over a small range of Mach numbers on thick circular-arc airfoils. Extensive tests and analyses of this phenomena have been made in the past but essentially all of them were for rigid models. A simple flexible wing model with an 18 pct. circular arc airfoil was constructed and tested in the Langley Transonic Dynamics Tunnel to study the dynamic characteristics that a wing might have under these circumstances. In the region of shock boundary layer oscillations, buffeting of the first bending mode was obtained. This mode was well separated in frequency from the shock boundary layer oscillations. A limit cycle oscillation was also measured in a third bending like mode, involving wind vertical bending and splitter plate motion, which was in the frequency range of the shock boundary layer oscillations. Several model configurations were tested, and a few potential fixes were investigated.

Effect of Noopept on Dynamics of Intracellular Calcium in Neurons of Cultured Rat Hippocampal Slices.

PubMed

Kolbaev, S N; Aleksandrova, O P; Sharonova, I N; Skrebitsky, V G

2018-01-01

A neuroprotective and nootropic drug Noopept increased the frequency of spontaneous calcium transients in neurons of CA1 radial layer in cultured rat hippocampal slices. In contrast, the drug exerted no significant effect on intracellular calcium concentration and its dynamics in neurons of hippocampal CA1 pyramidal layer.

Assessing the dynamics of the upper soil layer relative to soil management practices

USDA-ARS?s Scientific Manuscript database

The upper layer of the soil is the critical interface between the soil and the atmosphere and is the most dynamic in response to management practices. One of the soil properties is the stability of the aggregates because this property controls infiltration of water and exchange of gases. An aggregat...

Prediction of dynamic and mixing characteristics of drop-laden mixing layers using DNS and LES

NASA Technical Reports Server (NTRS)

Okong'o, N.; Leboissetier, A.; Bellan, J.

2004-01-01

Direct Numerical Simulation (DNS) and Large Eddy Simulation (LES) have been conducted of a temporal mixing layer laden with evaporating drops, in order to assess the ability of LES to reproduce dynamic and mixing aspects of the DNS which affect combustion, independently of combustion models.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy.

PubMed

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-11-15

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 10 4  S m -1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications.

Two-dimensional antimonene single crystals grown by van der Waals epitaxy

PubMed Central

Ji, Jianping; Song, Xiufeng; Liu, Jizi; Yan, Zhong; Huo, Chengxue; Zhang, Shengli; Su, Meng; Liao, Lei; Wang, Wenhui; Ni, Zhenhua; Hao, Yufeng; Zeng, Haibo

2016-01-01

Unlike the unstable black phosphorous, another two-dimensional group-VA material, antimonene, was recently predicted to exhibit good stability and remarkable physical properties. However, the synthesis of high-quality monolayer or few-layer antimonenes, sparsely reported, has greatly hindered the development of this new field. Here, we report the van der Waals epitaxy growth of few-layer antimonene monocrystalline polygons, their atomical microstructure and stability in ambient condition. The high-quality, few-layer antimonene monocrystalline polygons can be synthesized on various substrates, including flexible ones, via van der Waals epitaxy growth. Raman spectroscopy and transmission electron microscopy reveal that the obtained antimonene polygons have buckled rhombohedral atomic structure, consistent with the theoretically predicted most stable β-phase allotrope. The very high stability of antimonenes was observed after aging in air for 30 days. First-principle and molecular dynamics simulation results confirmed that compared with phosphorene, antimonene is less likely to be oxidized and possesses higher thermodynamic stability in oxygen atmosphere at room temperature. Moreover, antimonene polygons show high electrical conductivity up to 104 S m−1 and good optical transparency in the visible light range, promising in transparent conductive electrode applications. PMID:27845327

Graphene membranes with nanoslits for seawater desalination via forward osmosis.

PubMed

Dahanayaka, Madhavi; Liu, Bo; Hu, Zhongqiao; Pei, Qing-Xiang; Chen, Zhong; Law, Adrian Wing-Keung; Zhou, Kun

2017-11-22

Stacked graphene (GE) membranes with cascading nanoslits can be synthesized economically compared to monolayer nanoporous GE membranes, and have potential for molecular separation. This study focuses on investigating the seawater desalination performance of these stacked GE layers as forward osmosis (FO) membranes by using molecular dynamics simulations. The FO performance is evaluated in terms of water flux and salt rejection and is explained by analysing the water density distribution and radial distribution function. The water flow displays an Arrhenius type relation with temperature and the activation energy for the stacked GE membrane is estimated to be 8.02 kJ mol -1 , a value much lower than that of commercially available FO membranes. The study reveals that the membrane characteristics including the pore width, offset, interlayer separation distance and number of layers have significant effects on the desalination performance. Unlike monolayer nanoporous GE membranes, at an optimum layer separation distance, the stacked GE membranes with large pore widths and completely misaligned pore configuration can retain complete ion rejection and maintain a high water flux. Findings from the present study are helpful in developing GE-based membranes for seawater desalination via FO.

Vertical Structure of The Polluted Low Troposphere During Escompte 2001.

NASA Astrophysics Data System (ADS)

Saïd, F.; Escompte Team

ESCOMPTE 2001 is a field experiment that took place in the south-east of France, from June 11th to July 13th, with the aim of understanding chemical constitu- ants transformation and transport and to improve numerical models devoted to pol- lution study and forecasting. Information about the experiment can be found on http://medias.obs-mip.fr/escompte. The studied area was roughly 120x120 km includ- ing a big town, Marseille and a petroleum complex around the Fos-Berre pond. Various experimental means such as radiosounding, UHF and VHF radars, lidars and aircraft were involved in order to study the 3D distribution of chemical species in relationship with the dynamical processes. The vertical distribution of horizontal wind, ozone, aerosols and water vapor content revealed several cases with complex stratification. This stratification could also be detected on the lidars extinction coefficients or on the radars reflectivity. The superposed layers extended on large areas and were steady. The aim is to try to understand how these staggered layers have been formed and whether they interfere with the mixed layer. If ever they did, they could play a major part in the pollution process.

Structured Water Layers Adjacent to Biological Membranes

PubMed Central

Higgins, Michael J.; Polcik, Martin; Fukuma, Takeshi; Sader, John E.; Nakayama, Yoshikazu; Jarvis, Suzanne P.

2006-01-01

Water amid the restricted space of crowded biological macromolecules and at membrane interfaces is essential for cell function, though the structure and function of this “biological water” itself remains poorly defined. The force required to remove strongly bound water is referred to as the hydration force and due to its widespread importance, it has been studied in numerous systems. Here, by using a highly sensitive dynamic atomic force microscope technique in conjunction with a carbon nanotube probe, we reveal a hydration force with an oscillatory profile that reflects the removal of up to five structured water layers from between the probe and biological membrane surface. Further, we find that the hydration force can be modified by changing the membrane fluidity. For 1,2-dipalmitoyl-sn-glycero-3-phosphocholine gel (Lβ) phase bilayers, each oscillation in the force profile indicates the force required to displace a single layer of water molecules from between the probe and bilayer. In contrast, 1,2-dipalmitoyl-sn-glycero-3-phosphocholine fluid (Lα) phase bilayers at 60°C and 1,2-dioleoyl-sn-glycero-3-phosphocholine fluid (Lα) phase bilayers at 24°C seriously disrupt the molecular ordering of the water and result predominantly in a monotonic force profile. PMID:16798815

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

Kitiashvili, I. N.; Mansour, N. N.; Wray, A. A.

Magnetic fields are usually observed in the quiet Sun as small-scale elements that cover the entire solar surface (the “salt-and-pepper” patterns in line-of-sight magnetograms). By using 3D radiative MHD numerical simulations, we find that these fields result from a local dynamo action in the top layers of the convection zone, where extremely weak “seed” magnetic fields (e.g., from a 10{sup −6} G) can locally grow above the mean equipartition field to a stronger than 2000 G field localized in magnetic structures. Our results reveal that the magnetic flux is predominantly generated in regions of small-scale helical downflows. We find thatmore » the local dynamo action takes place mostly in a shallow, about 500 km deep, subsurface layer, from which the generated field is transported into the deeper layers by convective downdrafts. We demonstrate that the observed dominance of vertical magnetic fields at the photosphere and horizontal fields above the photosphere can be explained by small-scale magnetic loops produced by the dynamo. Such small-scale loops play an important role in the structure and dynamics of the solar atmosphere and their detection in observations is critical for understanding the local dynamo action on the Sun.« less

Shear flow of dense granular materials near smooth walls. I. Shear localization and constitutive laws in the boundary region.

PubMed

Shojaaee, Zahra; Roux, Jean-Noël; Chevoir, François; Wolf, Dietrich E

2012-07-01

We report on a numerical study of the shear flow of a simple two-dimensional model of a granular material under controlled normal stress between two parallel smooth frictional walls moving with opposite velocities ± V. Discrete simulations, which are carried out with the contact dynamics method in dense assemblies of disks, reveal that, unlike rough walls made of strands of particles, smooth ones can lead to shear strain localization in the boundary layer. Specifically, we observe, for decreasing V, first a fluidlike regime (A), in which the whole granular layer is sheared, with a homogeneous strain rate except near the walls, then (B) a symmetric velocity profile with a solid block in the middle and strain localized near the walls, and finally (C) a state with broken symmetry in which the shear rate is confined to one boundary layer, while the bulk of the material moves together with the opposite wall. Both transitions are independent of system size and occur for specific values of V. Transient times are discussed. We show that the first transition, between regimes A and B, can be deduced from constitutive laws identified for the bulk material and the boundary layer, while the second one could be associated with an instability in the behavior of the boundary layer. The boundary zone constitutive law, however, is observed to depend on the state of the bulk material nearby.

Distribution and Function of HCN Channels in the Apical Dendritic Tuft of Neocortical Pyramidal Neurons

PubMed Central

Harnett, Mark T.; Magee, Jeffrey C.

2015-01-01

The apical tuft is the most remote area of the dendritic tree of neocortical pyramidal neurons. Despite its distal location, the apical dendritic tuft of layer 5 pyramidal neurons receives substantial excitatory synaptic drive and actively processes corticocortical input during behavior. The properties of the voltage-activated ion channels that regulate synaptic integration in tuft dendrites have, however, not been thoroughly investigated. Here, we use electrophysiological and optical approaches to examine the subcellular distribution and function of hyperpolarization-activated cyclic nucleotide-gated nonselective cation (HCN) channels in rat layer 5B pyramidal neurons. Outside-out patch recordings demonstrated that the amplitude and properties of ensemble HCN channel activity were uniform in patches excised from distal apical dendritic trunk and tuft sites. Simultaneous apical dendritic tuft and trunk whole-cell current-clamp recordings revealed that the pharmacological blockade of HCN channels decreased voltage compartmentalization and enhanced the generation and spread of apical dendritic tuft and trunk regenerative activity. Furthermore, multisite two-photon glutamate uncaging demonstrated that HCN channels control the amplitude and duration of synaptically evoked regenerative activity in the distal apical dendritic tuft. In contrast, at proximal apical dendritic trunk and somatic recording sites, the blockade of HCN channels decreased excitability. Dynamic-clamp experiments revealed that these compartment-specific actions of HCN channels were heavily influenced by the local and distributed impact of the high density of HCN channels in the distal apical dendritic arbor. The properties and subcellular distribution pattern of HCN channels are therefore tuned to regulate the interaction between integration compartments in layer 5B pyramidal neurons. PMID:25609619

Wave-induced coherent turbulence structures and sediment resuspension in the nearshore of a prototype-scale sandy barrier beach

NASA Astrophysics Data System (ADS)

Kassem, Hachem; Thompson, Charlotte E. L.; Amos, Carl L.; Townend, Ian H.

2015-10-01

The suspension of sediments by oscillatory flows is a complex case of fluid-particle interaction. The aim of this study is to provide insight into the spatial (time) and scale (frequency) relationships between wave-generated boundary layer turbulence and event-driven sediment transport beneath irregular shoaling and breaking waves in the nearshore of a prototype sandy barrier beach, using data collected through the Barrier Dynamics Experiment II (BARDEX II). Statistical, quadrant and spectral analyses reveal the anisotropic and intermittent nature of Reynolds' stresses (momentum exchange) in the wave boundary layer, in all three orthogonal planes of motion. The fractional contribution of coherent turbulence structures appears to be dictated by the structural form of eddies beneath plunging and spilling breakers, which in turn define the net sediment mobilisation towards or away from the barrier, and hence ensuing erosion and accretion trends. A standing transverse wave is also observed in the flume, contributing to the substantial skewness of spanwise turbulence. Observed low frequency suspensions are closely linked to the mean flow (wave) properties. Wavelet analysis reveals that the entrainment and maintenance of sediment in suspension through a cluster of bursting sequence is associated with the passage of intermittent slowly-evolving large structures, which can modulate the frequency of smaller motions. Outside the boundary layer, small scale, higher frequency turbulence drives the suspension. The extent to which these spatially varied perturbation clusters persist is associated with suspension events in the high frequency scales, decaying as the turbulent motion ceases to supply momentum, with an observed hysteresis effect.

Opinion competition dynamics on multiplex networks

NASA Astrophysics Data System (ADS)

Amato, R.; Kouvaris, N. E.; San Miguel, M.; Díaz-Guilera, A.

2017-12-01

Multilayer and multiplex networks represent a good proxy for the description of social phenomena where social structure is important and can have different origins. Here, we propose a model of opinion competition where individuals are organized according to two different structures in two layers. Agents exchange opinions according to the Abrams-Strogatz model in each layer separately and opinions can be copied across layers by the same individual. In each layer a different opinion is dominant, so each layer has a different absorbing state. Consensus in one opinion is not the only possible stable solution because of the interaction between the two layers. A new mean field solution has been found where both opinions coexist. In a finite system there is a long transient time for the dynamical coexistence of both opinions. However, the system ends in a consensus state due to finite size effects. We analyze sparse topologies in the two layers and the existence of positive correlations between them, which enables the coexistence of inter-layer groups of agents sharing the same opinion.

Predicting U.S. food demand in the 20th century: a new look at system dynamics

NASA Astrophysics Data System (ADS)

Moorthy, Mukund; Cellier, Francois E.; LaFrance, Jeffrey T.

1998-08-01

The paper describes a new methodology for predicting the behavior of macroeconomic variables. The approach is based on System Dynamics and Fuzzy Inductive Reasoning. A four- layer pseudo-hierarchical model is proposed. The bottom layer makes predications about population dynamics, age distributions among the populace, as well as demographics. The second layer makes predications about the general state of the economy, including such variables as inflation and unemployment. The third layer makes predictions about the demand for certain goods or services, such as milk products, used cars, mobile telephones, or internet services. The fourth and top layer makes predictions about the supply of such goods and services, both in terms of their prices. Each layer can be influenced by control variables the values of which are only determined at higher levels. In this sense, the model is not strictly hierarchical. For example, the demand for goods at level three depends on the prices of these goods, which are only determined at level four. Yet, the prices are themselves influenced by the expected demand. The methodology is exemplified by means of a macroeconomic model that makes predictions about US food demand during the 20th century.

Superconducting properties and vortex dynamics of bismuth strontium calcium copper oxide nanoribbons with and without periodic array of nanoscale holes

NASA Astrophysics Data System (ADS)

Avci, Sevda

The distinguishing features of high-temperature superconducting materials are the dynamics of vortex matter in the mixed state which are greatly affected by the high anisotropy and the Josephson coupling between layers. Experiments have focused on investigating melting and dynamic phases of vortex matter with random pinning. However, the advancements in sample preparation techniques have made it possible to investigate the vortex matter with periodic pinnings, since it can serve as a model system to study periodic elastic media such as electron crystals driven on substrates with arrays of defects. It also offers the possibility to increase the critical current of a superconductor through a matching effect which represents itself as peaks (dips) in the field dependences of the critical current (magnetoresisance). This effect is due to the enhanced pinning strength at matching fields where the density of the flux quanta is equal to or multiple times that of the pins. This dissertation reports investigation on the dynamics of vortex matter with periodic pinning array by utilizing BSCCO-2212 crystalline nanoribbons containing periodic arrays of nanoscale holes. Systematic transport measurements reveal the existence of possible intermediate phases of a soft solid and/or a mixture of solid and liquid during melting for the melting transition from solid to a pure liquid. The results of this research demonstrate that the matching effect can be an effective tool in revealing the nature of various vortex phases during melting transition. In addition, anomalous resistive peaks below Tc and the effect of magnetic field orientation on superconductivity of BSCCO-2212 nanoribbons with array of nanoscale holes are also investigated. Angle-dependent magnetoresistances are scaled as H=Hthetacostheta. Therefore, only the perpendicular component of the magnetic field affects the superconductivity. Moreover, layers in BSCCO nanoribbons are lying in the a-b plane parallel to each other. Moreover, at large currents and fields, the resistance shows a non-monotonic dependence on temperature, even showing values that are higher than the normal state resistance for certain ranges of parameters. Observed behavior is attributed to the brick-wall morphology of the nanoribbons leading to a competition between normal and superconductive tunneling that is known to take place in granular superconductive systems.

Resonant Tidal Excitation of Internal Waves in the Earth's Fluid Core

NASA Technical Reports Server (NTRS)

Tyler, Robert H.; Kuang, Weijia

2014-01-01

It has long been speculated that there is a stably stratified layer below the core-mantle boundary, and two recent studies have improved the constraints on the parameters describing this stratification. Here we consider the dynamical implications of this layer using a simplified model. We first show that the stratification in this surface layer has sensitive control over the rate at which tidal energy is transferred to the core. We then show that when the stratification parameters from the recent studies are used in this model, a resonant configuration arrives whereby tidal forces perform elevated rates of work in exciting core flow. Specifically, the internal wave speed derived from the two independent studies (150 and 155 m/s) are in remarkable agreement with the speed (152 m/s) required for excitation of the primary normal mode of oscillation as calculated from full solutions of the Laplace Tidal Equations applied to a reduced-gravity idealized model representing the stratified layer. In evaluating this agreement it is noteworthy that the idealized model assumed may be regarded as the most reduced representation of the stratified dynamics of the layer, in that there are no non-essential dynamical terms in the governing equations assumed. While it is certainly possible that a more realistic treatment may require additional dynamical terms or coupling, it is also clear that this reduced representation includes no freedom for coercing the correlation described. This suggests that one must accept either (1) that tidal forces resonantly excite core flow and this is predicted by a simple model or (2) that either the independent estimates or the dynamical model does not accurately portray the core surface layer and there has simply been an unlikely coincidence between three estimates of a stratification parameter which would otherwise have a broad plausible range.

A novel multilayer model for missing link prediction and future link forecasting in dynamic complex networks

NASA Astrophysics Data System (ADS)

Yasami, Yasser; Safaei, Farshad

2018-02-01

The traditional complex network theory is particularly focused on network models in which all network constituents are dealt with equivalently, while fail to consider the supplementary information related to the dynamic properties of the network interactions. This is a main constraint leading to incorrect descriptions of some real-world phenomena or incomplete capturing the details of certain real-life problems. To cope with the problem, this paper addresses the multilayer aspects of dynamic complex networks by analyzing the properties of intrinsically multilayered co-authorship networks, DBLP and Astro Physics, and presenting a novel multilayer model of dynamic complex networks. The model examines the layers evolution (layers birth/death process and lifetime) throughout the network evolution. Particularly, this paper models the evolution of each node's membership in different layers by an Infinite Factorial Hidden Markov Model considering feature cascade, and thereby formulates the link generation process for intra-layer and inter-layer links. Although adjacency matrixes are useful to describe the traditional single-layer networks, such a representation is not sufficient to describe and analyze the multilayer dynamic networks. This paper also extends a generalized mathematical infrastructure to address the problems issued by multilayer complex networks. The model inference is performed using some Markov Chain Monte Carlo sampling strategies, given synthetic and real complex networks data. Experimental results indicate a tremendous improvement in the performance of the proposed multilayer model in terms of sensitivity, specificity, positive and negative predictive values, positive and negative likelihood ratios, F1-score, Matthews correlation coefficient, and accuracy for two important applications of missing link prediction and future link forecasting. The experimental results also indicate the strong predictivepower of the proposed model for the application of cascade prediction in terms of accuracy.

Neural dynamics and information representation in microcircuits of motor cortex.

PubMed

Tsubo, Yasuhiro; Isomura, Yoshikazu; Fukai, Tomoki

2013-01-01

The brain has to analyze and respond to external events that can change rapidly from time to time, suggesting that information processing by the brain may be essentially dynamic rather than static. The dynamical features of neural computation are of significant importance in motor cortex that governs the process of movement generation and learning. In this paper, we discuss these features based primarily on our recent findings on neural dynamics and information coding in the microcircuit of rat motor cortex. In fact, cortical neurons show a variety of dynamical behavior from rhythmic activity in various frequency bands to highly irregular spike firing. Of particular interest are the similarity and dissimilarity of the neuronal response properties in different layers of motor cortex. By conducting electrophysiological recordings in slice preparation, we report the phase response curves (PRCs) of neurons in different cortical layers to demonstrate their layer-dependent synchronization properties. We then study how motor cortex recruits task-related neurons in different layers for voluntary arm movements by simultaneous juxtacellular and multiunit recordings from behaving rats. The results suggest an interesting difference in the spectrum of functional activity between the superficial and deep layers. Furthermore, the task-related activities recorded from various layers exhibited power law distributions of inter-spike intervals (ISIs), in contrast to a general belief that ISIs obey Poisson or Gamma distributions in cortical neurons. We present a theoretical argument that this power law of in vivo neurons may represent the maximization of the entropy of firing rate with limited energy consumption of spike generation. Though further studies are required to fully clarify the functional implications of this coding principle, it may shed new light on information representations by neurons and circuits in motor cortex.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information.

PubMed

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

Financial Knudsen number: Breakdown of continuous price dynamics and asymmetric buy-and-sell structures confirmed by high-precision order-book information

NASA Astrophysics Data System (ADS)

Yura, Yoshihiro; Takayasu, Hideki; Sornette, Didier; Takayasu, Misako

2015-10-01

We generalize the description of the dynamics of the order book of financial markets in terms of a Brownian particle embedded in a fluid of incoming, exiting, and annihilating particles by presenting a model of the velocity on each side (buy and sell) independently. The improved model builds on the time-averaged number of particles in the inner layer and its change per unit time, where the inner layer is revealed by the correlations between price velocity and change in the number of particles (limit orders). This allows us to introduce the Knudsen number of the financial Brownian particle motion and its asymmetric version (on the buy and sell sides). Not being considered previously, the asymmetric Knudsen numbers are crucial in finance in order to detect asymmetric price changes. The Knudsen numbers allows us to characterize the conditions for the market dynamics to be correctly described by a continuous stochastic process. Not questioned until now for large liquid markets such as the USD-JPY and EUR-USD exchange rates, we show that there are regimes when the Knudsen numbers are so high that discrete particle effects dominate, such as during market stresses and crashes. We document the presence of imbalances of particles depletion rates on the buy and sell sides that are associated with high Knudsen numbers and violent directional price changes. This indicator can detect the direction of the price motion at the early stage while the usual volatility risk measure is blind to the price direction.

Translational and rotational diffusion of Janus nanoparticles at liquid interfaces

NASA Astrophysics Data System (ADS)

Rezvantalab, Hossein; Shojaei-Zadeh, Shahab

2014-11-01

We use molecular dynamics simulations to understand the thermal motion of nanometer-sized Janus particles at the interface between two immiscible fluids. We consider spherical nanoparticles composed of two sides with different affinity to fluid phases, and evaluate their dynamics and changes in fluid structure as a function of particle size and surface chemistry. We show that as the amphiphilicity increases upon enhancing the wetting of each side with its favored fluid, the in-plane diffusivity at the interface becomes slower. Detail analysis of the fluid structure reveals that this is mainly due to formation of a denser adsorption layer around more amphiphilic particles, which leads to increased drag acting against nanoparticle motion. Similarly, the rotational thermal motion of Janus particles is reduced compared to their homogeneous counterparts as a result of the higher resistance of neighboring fluid species against rotation. We also incorporate the influence of fluid density and surface tension on the interfacial dynamics of such Janus nanoparticles. Our findings may have implications in understanding the adsorption mechanism of drugs and protein molecules with anisotropic surface properties to biological interfaces including cell membranes.

Simulated glass transition of poly(ethylene oxide) bulk and film: a comparative study.

PubMed

Wu, Chaofu

2011-09-29

Stepwise cooling molecular dynamics (MD) simulations have been carried out on the bulk and film models for poly(ethylene oxide) (PEO) to understand glass transition of amorphous polymer films. Three types of properties--density, energy, and dynamics--are computed and plotted against the temperature for the two systems. It has been confirmed that all these properties can reveal glass transition in both PEO bulk and film systems. All the determined glass transition temperatures (T(g)'s) drop in the same order of magnitude to the experimental data available. Among various methods, the T(g)'s obtained from the density and energy data are close to each other if the same space regions are defined, which can suggest the same free volume theory, and dynamic T(g)'s obtained from mean-squared displacements (MSDs) are highest, which can suggest the kinetic theory for structural relaxation. Consistently, all these T(g)'s obtained using different methods show that the T(g)'s of PEO film are lower than those of PEO bulk. The free surface layers of polymer films dictate this offset. © 2011 American Chemical Society

Externally driven magnetic granular layers at a liquid/air interface: self-organization, flows and magnetic order

NASA Astrophysics Data System (ADS)

Snezhko, Alexey

2007-03-01

Collective dynamics and pattern formation in ensembles of magnetic microparticles suspended at the liquid/air interface and subjected to an alternating magnetic field are studied. Experiments reveal a new type of nontrivially ordered dynamic self-assembled structures (``snakes'') emerging in such systems in a certain range of field magnitudes and frequencies. These remarkable structures are directly related to surface waves in the liquid generated by the collective response of magnetic microparticles to the alternating magnetic field. In addition, a large-scale vortex flows are induced in the vicinity of the dynamic structures. Some features of the self-localized snake structures can be understood in the framework of an amplitude equation for parametric waves coupled to the conservation law equation describing the evolution of the magnetic particle density. Self-assembled snakes have a complex magnetic order: the segments of the snake exhibit long-range antiferromagnetic ordering mediated by the surface wave, while each segment is composed of ferromagnetically aligned chains of microparticles. A phenomenological model describing magnetic behavior of the magnetic snakes in external magnetic fields is proposed.

Tidal dynamics in the Bay of Algeciras (Strait of Gibraltar) by a numerical experiment

NASA Astrophysics Data System (ADS)

Sammartino, Simone; García Lafuente, Jesús; Sanchez Garrido, José Carlos; De los Santos, Francisco Javier; Álvarez Fanjul, Enrique; Bruno, Miguel; Concepción Calero, María

2013-04-01

The Bay of Algeciras (southwest of Spain) is located at the eastern part of the Strait of Gibraltar where the well-known two-way exchange between the Atlantic Ocean and the Mediterranean Sea occurs. The bay and its port have a strategic relevance in terms of maritime traffic and supply of fuel and goods, making the whole area a high risk environment for pollution derived from its commercial activities. Thus, a complete knowledge of the hydrodynamics of the bay is crucial to cope with an efficient management of its environment. A high-resolution numerical three-dimensional model has been applied to the study of the dynamics of the bay at the tidal scale. After a satisfactory validation, based on a comprehensive set of measurements collected in the area in 2011, the model outputs are used for a detailed analysis of the local hydrodynamics. The bay is characterized by a standing-wave pattern of the barotropic dynamics, inherited by the strait region, with a flow across the mouth of 2.7x10-3 Sv, in quadrature with the SSH oscillations. However, the harmonic analysis of the meridional velocity in the cross-bay section at its mouth and in the longitudinal section between the mouth and the head reveals a marked baroclinic structure of the flow, with values one order higher than the barotropic flow. The upper layer and the lower layer flows are clearly in antiphase with a very thin layer of maximum change of phase and minimum amplitude, roughly coinciding with the average location of the isohaline S=37.5. The origin of this structure is the important internal tide acting into the area, characterized by a clear shorewards propagation, with the possible presence of an amphidromic point in the west side of the mouth and a quarter-wave resonance amplifying the internal oscillations. The analysis of the zonally integrated meridional transport (meridional stream function) reveals a circulation scheme opposite to the one of the strait. During the flood tide, while in the strait the Mediterranean water flows inside the channel and displaces the isohalines upwards, in the bay, the Atlantic water flows shorewards, forcing the isohaline downwards and pushing the Mediterranean water out of the bay, where it joins the Mediterranean flow directed westwards. During the ebb tide, the Mediterranean water flowing eastwards penetrates inside the bay producing the raising of the isohalines and pushing the superficial Atlantic water out in the channel, where it joins the Atlantic jet moving eastwards.

Dynamics of Active Layer Depth across Alaskan Tundra Ecosystems

NASA Astrophysics Data System (ADS)

Ma, C.; Zhang, X.; Song, X.; Xu, X.

2016-12-01

The thickness of the active layer, near-surface layer of Earth material above permafrost undergoing seasonal freezing and thawing, is of considerable importance in high-latitude environments because most physical, chemical, and biological processes in the permafrost region take place within it. The dynamics of active layer thickness (ALT) result from a combination of various factors including heat transfer, soil water content, soil texture, root density, stem density, moss layer thickness, organic layer thickness, etc. However, the magnitude and controls of ALT in the permafrost region remain uncertain. The purpose of this study is to improve our understanding of the dynamics of ALT across Alaskan tundra ecosystems and their controls at multiple scales, ranging from plots to entire Alaska. This study compiled a comprehensive dataset of ALT at site and regional scales across the Alaskan tundra ecosystems, and further analyzed ALT dynamics and their hierarchical controls. We found that air temperature played a predominant role on the seasonality of ALT, regulated by other physical and chemical factors including soil texture, moisture, and root density. The structural equation modeling (SEM) analysis confirmed the predominant role of physical controls (dominated by heat and soil properties), followed by chemical and biological factors. Then a simple empirical model was developed to reconstruct the ALT across the Alaska. The comparisons against field observational data show that the method used in this study is robust; the reconstructed time-series ALT across Alaska provides a valuable dataset source for understanding ALT and validating large-scale ecosystem models.

Si amorphization by focused ion beam milling: Point defect model with dynamic BCA simulation and experimental validation.

PubMed

Huang, J; Loeffler, M; Muehle, U; Moeller, W; Mulders, J J L; Kwakman, L F Tz; Van Dorp, W F; Zschech, E

2018-01-01

A Ga focused ion beam (FIB) is often used in transmission electron microscopy (TEM) analysis sample preparation. In case of a crystalline Si sample, an amorphous near-surface layer is formed by the FIB process. In order to optimize the FIB recipe by minimizing the amorphization, it is important to predict the amorphous layer thickness from simulation. Molecular Dynamics (MD) simulation has been used to describe the amorphization, however, it is limited by computational power for a realistic FIB process simulation. On the other hand, Binary Collision Approximation (BCA) simulation is able and has been used to simulate ion-solid interaction process at a realistic scale. In this study, a Point Defect Density approach is introduced to a dynamic BCA simulation, considering dynamic ion-solid interactions. We used this method to predict the c-Si amorphization caused by FIB milling on Si. To validate the method, dedicated TEM studies are performed. It shows that the amorphous layer thickness predicted by the numerical simulation is consistent with the experimental data. In summary, the thickness of the near-surface Si amorphization layer caused by FIB milling can be well predicted using the Point Defect Density approach within the dynamic BCA model. Copyright © 2017 Elsevier B.V. All rights reserved.

Application of GIS and Visualization Technology in the Regional-Scale Ground-Water Modeling of the Twentynine Palms and San Jose Areas, California

NASA Astrophysics Data System (ADS)

Li, Z.

2003-12-01

Application of GIS and visualization technology significantly contributes to the efficiency and success of developing ground-water models in the Twentynine Palms and San Jose areas, California. Visualizations from GIS and other tools can help to formulate the conceptual model by quickly revealing the basinwide geohydrologic characteristics and changes of a ground-water flow system, and by identifying the most influential components of system dynamics. In addition, 3-D visualizations and animations can help validate the conceptual formulation and the numerical calibration of the model by checking for model-input data errors, revealing cause and effect relationships, and identifying hidden design flaws in model layering and other critical flow components. Two case studies will be presented: The first is a desert basin (near the town of Twentynine Palms) characterized by a fault-controlled ground-water flow system. The second is a coastal basin (Santa Clara Valley including the city of San Jose) characterized by complex, temporally variable flow components ­¦ including artificial recharge through a large system of ponds and stream channels, dynamically changing inter-layer flow from hundreds of multi-aquifer wells, pumping-driven subsidence and recovery, and climatically variable natural recharge. For the Twentynine Palms area, more than 10,000 historical ground-water level and water-quality measurements were retrieved from the USGS databases. The combined use of GIS and visualization tools allowed these data to be swiftly organized and interpreted, and depicted by water-level and water-quality maps with a variety of themes for different uses. Overlaying and cross-correlating these maps with other hydrological, geological, geophysical, and geochemical data not only helped to quickly identify the major geohydrologic characteristics controlling the natural variation of hydraulic head in space, such as faults, basin-bottom altitude, and aquifer stratigraphies, but also helped to identify the temporal changes induced by human activities, such as pumping. For the San Jose area, a regional-scale ground-water/surface-water flow model was developed with 6 model layers, 360 monthly stress periods, and complex flow components. The model was visualized by creating animations for both hydraulic head and land subsidence. Cell-by-cell flow of individual flow components was also animated. These included simulated infiltration from climatically variable natural recharge, interlayer flow through multi-aquifer well bores, flow gains and losses along stream channels, and storage change in response to system recharge and discharge. These animations were used to examine consistency with other independent observations, such as measured water-level distribution, mapped gaining and losing stream reaches, and INSAR-interpreted subsidence and uplift. In addition, they revealed enormous detail on the spatial and temporal variation of both individual flow components as well as the entire flow system, and thus significantly increased understanding of system dynamics and improved the accuracy of model simulations.

Comparison of Methods for Determining Boundary Layer Edge Conditions for Transition Correlations

NASA Technical Reports Server (NTRS)

Liechty, Derek S.; Berry, Scott A.; Hollis, Brian R.; Horvath, Thomas J.

2003-01-01

Data previously obtained for the X-33 in the NASA Langley Research Center 20-Inch Mach 6 Air Tunnel have been reanalyzed to compare methods for determining boundary layer edge conditions for use in transition correlations. The experimental results were previously obtained utilizing the phosphor thermography technique to monitor the status of the boundary layer downstream of discrete roughness elements via global heat transfer images of the X-33 windward surface. A boundary layer transition correlation was previously developed for this data set using boundary layer edge conditions calculated using an inviscid/integral boundary layer approach. An algorithm was written in the present study to extract boundary layer edge quantities from higher fidelity viscous computational fluid dynamic solutions to develop transition correlations that account for viscous effects on vehicles of arbitrary complexity. The boundary layer transition correlation developed for the X-33 from the viscous solutions are compared to the previous boundary layer transition correlations. It is shown that the boundary layer edge conditions calculated using an inviscid/integral boundary layer approach are significantly different than those extracted from viscous computational fluid dynamic solutions. The present results demonstrate the differences obtained in correlating transition data using different computational methods.

Adsorption and Exchange Dynamics in Aging Hydroxyethylcellulose Layers on Silica.

PubMed

Mubarekyan; Santore

2000-07-15

The adsorption kinetics of hydroxyethylcellulose (HEC) on silica and relaxations in adsorbed HEC layers were probed using total internal reflectance fluorescence and near-Brewster reflectivity. Like many random-coil polymers, HEC was found to adsorb at the transport-limited rate. Relaxations occurred at nearly constant interfacial mass when HEC layers were exposed to aqueous solvent, causing the subsequent exchange of chains between the layer and the free solution to become increasingly hindered. Eventually, on the time scale of a day, layers became immobilized and unable to accommodate chains from free solution. A continued fluorescence decay, beyond time scales that could be probed with self exchange, suggested further relaxations of the adsorbed HEC. The polydisperse HEC system (with an average molecular weight near 450,000) behaved qualitatively similar to molecular weight standard polyethylene oxide (PEO) layers on silica. For instance, relaxations in PEO layers occurred on a time scale of 10-20 h, like the HEC layers. Young layers of the latter, however, exhibited self-exchange kinetics that were an order of magnitude slower than PEO layers of similar age. This difference in adsorbed layer dynamics was attributed to HEC's stiffer backbone, compared with flexible PEO. Copyright 2000 Academic Press.

Plasma-Neutral Coupling on the Dark and Bright Sides of Antarctica

NASA Astrophysics Data System (ADS)

Chu, X.; Yu, Z.; Fong, W.; Chen, C.; Zhao, J.; Huang, W.; Roberts, B. R.; Fuller-Rowell, T. J.; Richmond, A. D.; Gerrard, A. J.; Weatherwax, A. T.; Gardner, C. S.

2014-12-01

The polar mesosphere and thermosphere provide a unique natural laboratory for studying the complex physical, chemical, neutral dynamical and electrodynamics processes in the Earth's atmosphere and space environment. McMurdo (geographic 77.83S, geomagnetic 80S) is located by the poleward edge of the aurora oval; so energetic particles may penetrate into the lower thermosphere and mesosphere along nearly vertical geomagnetic field lines. Lidar observations at McMurdo from December 2010 to 2014 have discovered several neutral atmosphere phenomena closely related to ionosphereic parameters and geomagnetic activity. For example, the diurnal tidal amplitude of temperatures not only increases super-exponentially from 100 to 110 km but also its growth rate becomes larger at larger Kp index. The lidar discovery of neutral iron (Fe) layers with gravity wave signatures in the thermosphere enabled the direct measurements of neutral temperatures from 30 to 170 km, revealing the neutral-ion coupling and aurora-enhanced Joule heating. A lidar 'marathon' of 174-hour continuous observations showed dramatic changes of composition (Fe atoms and ice particles) densities (over 40 times) in the mesopause region and their correlations to solar events. In this paper we will study the plasma-neutral coupling on the dark side of Antarctica via observation analysis and numerical modeling of the thermospheric Fe layers in the 100-200 km. A newly developed thermospheric Fe/Fe+ model is used to quantify how Fe+ ions are transported from their main deposition region to the E-F region and then neutralized to form Fe layers under dark polar conditions. We will also study the plasma-neutral coupling on the bright side of Antarctica via analyzing Fe events in summer. Complementary observations will be combined to show how the extreme changes of Fe layers are related to aurora particle precipitation and visible/sub-visible ice particles. These observations and studies will open new areas of scientific inquiry regarding the composition, chemistry, neutral dynamics, thermodynamics, and electrodynamics of one of the least-understood regions in the atmosphere.

3D-printed membrane for guided tissue regeneration.

PubMed

Tayebi, Lobat; Rasoulianboroujeni, Morteza; Moharamzadeh, Keyvan; Almela, Thafar K D; Cui, Zhanfeng; Ye, Hua

2018-03-01

Three-dimensional (3D) printing is currently being intensely studied for a diverse set of applications, including the development of bioengineered tissues, as well as the production of functional biomedical materials and devices for dental and orthopedic applications. The aim of this study was to develop and characterize a 3D-printed hybrid construct that can be potentially suitable for guided tissue regeneration (GTR). For this purpose, the rheology analyses have been performed on different bioinks and a specific solution comprising 8% gelatin, 2% elastin and 0.5% sodium hyaluronate has been selected as the most suitable composition for printing a structured membrane for GTR application. Each membrane is composed of 6 layers with strand angles from the first layer to the last layer of 45, 135, 0, 90, 0 and 90°. Confirmed by 3D Laser Measuring imaging, the membrane has small pores on one side and large pores on the other to be able to accommodate different cells like osteoblasts, fibroblasts and keratinocytes on different sides. The ultimate cross-linked product is a 150μm thick flexible and bendable membrane with easy surgical handling. Static and dynamic mechanical testing revealed static tensile modules of 1.95±0.55MPa and a dynamic tensile storage modulus of 314±50kPa. Through seeding the membranes with fibroblast and keratinocyte cells, the results of in vitro tests, including histological analysis, tissue viability examinations and DAPI staining, indicated that the membrane has desirable in vitro biocompatibility. The membrane has demonstrated the barrier function of a GTR membrane by thorough separation of the oral epithelial layer from the underlying tissues. In conclusion, we have characterized a biocompatible and bio-resorbable 3D-printed structured gelatin/elastin/sodium hyaluronate membrane with optimal biostability, mechanical strength and surgical handling characteristics in terms of suturability for potential application in GTR procedures. Copyright © 2017 Elsevier B.V. All rights reserved.

A New View of the Dynamics of Reynolds Stress Generation in Turbulent Boundary Layers

NASA Technical Reports Server (NTRS)

Cantwell, Brian J.; Chacin, Juan M.

1998-01-01

The structure of a numerically simulated turbulent boundary layer over a flat plate at Re(theta) = 670 was studied using the invariants of the velocity gradient tensor (Q and R) and a related scalar quantity, the cubic discriminant (D = 27R(exp 2)/4 + Q(exp 3)). These invariants have previously been used to study the properties of the small-scale motions responsible for the dissipation of turbulent kinetic energy. In addition, these scalar quantities allow the local flow patterns to be unambiguously classified according to the terminology proposed by Chong et al. The use of the discriminant as a marker of coherent motions reveals complex, large-scale flow structures that are shown to be associated with the generation of Reynolds shear stress -u'v'(bar). These motions are characterized by high spatial gradients of the discriminant and are believed to be an important part of the mechanism that sustains turbulence in the near-wall region.

The seasonal cycle of Titan's detached haze

NASA Astrophysics Data System (ADS)

West, Robert A.; Seignovert, Benoît.; Rannou, Pascal; Dumont, Philip; Turtle, Elizabeth P.; Perry, Jason; Roy, Mou; Ovanessian, Aida

2018-06-01

Titan's `detached' haze, seen in Voyager images in 1980 and 1981 and monitored by the Cassini Imaging Science Subsystem (ISS) during the period 2004-2017, provides a measure of seasonal activity in Titan's mesosphere with observations over almost half of Saturn's seasonal cycle. Here we report on retrieved haze extinction profiles that reveal a depleted layer (having a diminished aerosol content), visually manifested as a gap between the main haze and a thin, detached upper layer. Our measurements show the disappearance of the feature in 2012 and its reappearance in 2016, as well as details after the reappearance. These observations highlight the dynamical nature of the detached haze. The reappearance seems congruent with earlier descriptions by climate models but more complex than previously described. It occurs in two steps, first as haze reappearing at 450 ± 20 km and one year later at 510 ± 20 km. These observations provide additional tight and valuable constraints about the underlying mechanisms, especially for Titan's mesosphere, that control Titan's haze cycle.

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging.

PubMed

He, Yadong; Qiao, Rui; Vatamanu, Jenel; Borodin, Oleg; Bedrov, Dmitry; Huang, Jingsong; Sumpter, Bobby G

2016-01-07

Molecular simulations of the diffusion of EMIM(+) and TFSI(-) ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only a single layer of ions, ions diffuse increasingly faster as the pore becomes charged (with diffusion coefficients even reaching ∼5 × 10(-9) m(2)/s), unless the pore becomes very highly charged. In pores wide enough to fit more than one layer of ions, ion diffusion is slower than in the bulk and changes modestly as the pore becomes charged. Analysis of these results revealed that the fast (or slow) diffusion of ions inside a micropore during charging is correlated most strongly with the dense (or loose) ion packing inside the pore. The molecular details of the ions and the precise width of the pores modify these trends weakly, except when the pore is so narrow that the ion conformation relaxation is strongly constrained by the pore walls.

Importance of Ion Packing on the Dynamics of Ionic Liquids during Micropore Charging

DOE PAGES

He, Yadong; Qiao, Rui; Vatamanu, Jenel; ...

2015-12-07

In molecular simulations of the diffusion of EMIM+ and TESI- ions in slit-shaped micropores under conditions similar to those during charging show that in pores that accommodate only a single layer of ions, ions diffuse increasingly faster as the pore becomes charged (with diffusion coefficients even reaching similar to 5 x 10 -9 m 2/s), unless the pore becomes very highly charged. In pores wide enough to fit more than one layer of ions, ion diffusion is slower than in the bulk and changes modestly as the pore becomes charged. Moreover, analysis of these results revealed that the fast (ormore » slow) diffusion of ions inside a micropore during charging is correlated most strongly with the dense (or loose) ion packing inside the pore. Finally, the molecular details of the ions and the precise width of the pores modify these trends weakly, except when the pore is so narrow that the ion conformation relaxation is strongly constrained by the pore walls.« less

Prediction of another semimetallic silicene allotrope with Dirac fermions

NASA Astrophysics Data System (ADS)

Wu, Haiping; Qian, Yan; Du, Zhengwei; Zhu, Renzhu; Kan, Erjun; Deng, Kaiming

2017-11-01

Materials with Dirac point are so amazing since the charge carriers are massless and have an effective speed of light. However, among the predicted two-dimensional silicon allotropes with Dirac point, no one has been directly proved by experiment. This fact motivates us to search for other two-dimensional silicon allotropes. As a result, another stable single atomic layer thin silicon allotrope is found with the help of CALYPSO code in this work. This silicene allotrope is composed of eight-membered rings linked by Si-Si bonds with buckling formation. The electronic calculation reveals that it behaves as a nodal line semimetal with the linear energy dispersion relation near the Fermi surface. Notably, the ab initio molecular dynamics simulations display that the original atomic configuration can be remained even at an extremely high temperature of 1000 K. Additionally, hydrogenation could induce a semimetal-semiconductor transition in this silicene allotrope. We hope this work can expand the family of single atomic layer thin silicon allotropes with special applications.

Characterization of stem/progenitor cell cycle using murine circumvallate papilla taste bud organoid.

PubMed

Aihara, Eitaro; Mahe, Maxime M; Schumacher, Michael A; Matthis, Andrea L; Feng, Rui; Ren, Wenwen; Noah, Taeko K; Matsu-ura, Toru; Moore, Sean R; Hong, Christian I; Zavros, Yana; Herness, Scott; Shroyer, Noah F; Iwatsuki, Ken; Jiang, Peihua; Helmrath, Michael A; Montrose, Marshall H

2015-11-24

Leucine-rich repeat-containing G-protein coupled receptor 5-expressing (Lgr5(+)) cells have been identified as stem/progenitor cells in the circumvallate papillae, and single cultured Lgr5(+) cells give rise to taste cells. Here we use circumvallate papilla tissue to establish a three-dimensional culture system (taste bud organoids) that develops phenotypic characteristics similar to native tissue, including a multilayered epithelium containing stem/progenitor in the outer layers and taste cells in the inner layers. Furthermore, characterization of the cell cycle of the taste bud progenitor niche reveals striking dynamics of taste bud development and regeneration. Using this taste bud organoid culture system and FUCCI2 transgenic mice, we identify the stem/progenitor cells have at least 5 distinct cell cycle populations by tracking within 24-hour synchronized oscillations of proliferation. Additionally, we demonstrate that stem/progenitor cells have motility to form taste bud organoids. Taste bud organoids provides a system for elucidating mechanisms of taste signaling, disease modeling, and taste tissue regeneration.

Characterization of stem/progenitor cell cycle using murine circumvallate papilla taste bud organoid

PubMed Central

Aihara, Eitaro; Mahe, Maxime M.; Schumacher, Michael A.; Matthis, Andrea L.; Feng, Rui; Ren, Wenwen; Noah, Taeko K.; Matsu-ura, Toru; Moore, Sean R.; Hong, Christian I.; Zavros, Yana; Herness, Scott; Shroyer, Noah F.; Iwatsuki, Ken; Jiang, Peihua; Helmrath, Michael A.; Montrose, Marshall H.

2015-01-01

Leucine-rich repeat-containing G-protein coupled receptor 5-expressing (Lgr5+) cells have been identified as stem/progenitor cells in the circumvallate papillae, and single cultured Lgr5+ cells give rise to taste cells. Here we use circumvallate papilla tissue to establish a three-dimensional culture system (taste bud organoids) that develops phenotypic characteristics similar to native tissue, including a multilayered epithelium containing stem/progenitor in the outer layers and taste cells in the inner layers. Furthermore, characterization of the cell cycle of the taste bud progenitor niche reveals striking dynamics of taste bud development and regeneration. Using this taste bud organoid culture system and FUCCI2 transgenic mice, we identify the stem/progenitor cells have at least 5 distinct cell cycle populations by tracking within 24-hour synchronized oscillations of proliferation. Additionally, we demonstrate that stem/progenitor cells have motility to form taste bud organoids. Taste bud organoids provides a system for elucidating mechanisms of taste signaling, disease modeling, and taste tissue regeneration. PMID:26597788

Influence of carbonyl iron particle coating with silica on the properties of magnetorheological elastomers

NASA Astrophysics Data System (ADS)

Małecki, P.; Królewicz, M.; Hiptmair, F.; Krzak, J.; Kaleta, J.; Major, Z.; Pigłowski, J.

2016-10-01

In this paper, the influence of encapsulating carbonyl iron particles with various silica coatings on the properties of magnetorheological elastomers (MREs) was investigated. A soft styrene-ethylene-butylene-styrene thermoplastic elastomer was used as the composite’s polymer matrix. Spherical carbonyl iron powder (CIP) acted as the ferromagnetic filler. In order to improve the metal-polymer interaction, carbonyl iron particles were coated with two types of single and six types of double silica layers. The first layer was created through a TMOS or TEOS hydrolysis whereas the second one was composed of organosilanes. The mechanical properties of MREs containing 38.5 vol% of CIP were analysed under dynamic loading conditions. To investigate the magnetorheological effect in these composites, a 430 mT magnetic field, generated by an array of permanent magnets, was applied during testing. The results revealed that the magnetomechanical response of the MREs differs substantially, depending on the kind of particle coating.

Direct observation of spatially heterogeneous single-layer graphene oxide reduction kinetics.

PubMed

McDonald, Matthew P; Eltom, Ahmed; Vietmeyer, Felix; Thapa, Janak; Morozov, Yurii V; Sokolov, Denis A; Hodak, Jose H; Vinodgopal, Kizhanipuram; Kamat, Prashant V; Kuno, Masaru

2013-01-01

Graphene oxide (GO) is an important precursor in the production of chemically derived graphene. During reduction, GO's electrical conductivity and band gap change gradually. Doping and chemical functionalization are also possible, illustrating GO's immense potential in creating functional devices through control of its local hybridization. Here we show that laser-induced photolysis controllably reduces individual single-layer GO sheets. The reaction can be followed in real time through sizable decreases in GO's photoluminescence efficiency along with spectral blueshifts. As-produced reduced graphene oxide (rGO) sheets undergo additional photolysis, characterized by dramatic emission enhancements and spectral redshifts. Both GO's reduction and subsequent conversion to photobrightened rGO are captured through movies of their photoluminescence kinetics. Rate maps illustrate sizable spatial and temporal heterogeneities in sp(2) domain growth and reveal how reduction "flows" across GO and rGO sheets. The observed heterogeneous reduction kinetics provides mechanistic insight into GO's conversion to chemically derived graphene and highlights opportunities for overcoming its dynamic, chemical disorder.

A modeling study of methane hydrate decomposition in contact with the external surface of zeolites.

PubMed

Smirnov, Konstantin S

2017-08-30

The behavior of methane hydrate (MH) enclosed between the (010) surfaces of the silicalite-1 zeolite was studied by means of molecular dynamics simulations at temperatures of 150 and 250 K. Calculations reveal that the interaction with the hydrophilic surface OH groups destabilizes the clathrate structure of hydrate. While MH mostly conserves the structure in the simulation at the low temperature, thermal motion at the high temperature breaks the fragilized cages of H-bonded water molecules, thus leading to the release of methane. The dissociation proceeds in a layer-by-layer manner starting from the outer parts of the MH slab until complete hydrate decomposition. The released CH 4 molecules are absorbed by the microporous solid, whereas water is retained at the surfaces of hydrophobic silicalite and forms a meniscus in the interlayer space. Methane uptake reaches 70% of the silicalite sorption capacity. The energy necessary for the endothermic MH dissociation is supplied by the exothermic methane absorption by the zeolite.

The seasonal cycle of Titan's detached haze

NASA Astrophysics Data System (ADS)

West, Robert A.; Seignovert, Benoît; Rannou, Pascal; Dumont, Philip; Turtle, Elizabeth P.; Perry, Jason; Roy, Mou; Ovanessian, Aida

2018-04-01

Titan's `detached' haze, seen in Voyager images in 1980 and 1981 and monitored by the Cassini Imaging Science Subsystem (ISS) during the period 2004-2017, provides a measure of seasonal activity in Titan's mesosphere with observations over almost half of Saturn's seasonal cycle. Here we report on retrieved haze extinction profiles that reveal a depleted layer (having a diminished aerosol content), visually manifested as a gap between the main haze and a thin, detached upper layer. Our measurements show the disappearance of the feature in 2012 and its reappearance in 2016, as well as details after the reappearance. These observations highlight the dynamical nature of the detached haze. The reappearance seems congruent with earlier descriptions by climate models but more complex than previously described. It occurs in two steps, first as haze reappearing at 450 ± 20 km and one year later at 510 ± 20 km. These observations provide additional tight and valuable constraints about the underlying mechanisms, especially for Titan's mesosphere, that control Titan's haze cycle.

Radiation Resistant Vanadium-Graphene Nanolayered Composite

PubMed Central

Kim, Youbin; Baek, Jinwook; Kim, Sunghwan; Kim, Sangmin; Ryu, Seunghwa; Jeon, Seokwoo; Han, Seung Min

2016-01-01

Ultra high strength V-graphene nanolayers were developed for the first time that was demonstrated to have an excellent radiation tolerance as revealed by the He+ irradiation study. Radiation induced hardening, evaluated via nanopillar compressions before and after He+ irradiation, is significantly reduced with the inclusion of graphene layers; the flow stresses of V-graphene nanolayers with 110 nm repeat layer spacing showed an increase of 25% while pure V showed an increase of 88% after He+ dosage of 13.5 dpa. The molecular dynamics simulations confirmed that the graphene interface can spontaneously absorb the nearby crystalline defects that are produced from a collision cascade, thereby enhancing the lifetime of the V-graphene nanolayers via this self-healing effect. In addition, the impermeability of He gas through the graphene resulted in suppression of He bubble agglomerations that in turn reduced embrittlement. In-situ SEM compression also showed the ability of graphene to hinder crack propagation that suppressed the failure. PMID:27098407

Synchronization of geomagnetic and ionospheric disturbances over Kazan station

NASA Astrophysics Data System (ADS)

Barhatova, Oksana; Kosolapova, Natalia; Barhatov, Nikolay; Revunov, Sergey

2017-12-01

The phenomena which accompany synchronization of night-time ionospheric and geomagnetic disturbances in an ULF range with periods 35-50 min near the mid-latitude station Kazan during a global magnetically quiet period have been analyzed. The comparison between dynamic spectra and wavelet patterns of these disturbances has revealed that spectral features of simultaneous disturbances of the F2-layer critical frequency and H, D, Z geomagnetic field components are similar. By studying spectral features of the F2-layer critical frequency over Kazan and disturbances of the H and D geomagnetic field components at magnetic stations which differ from Kazan station in longitude and latitude, we have established that the disturbances considered belong to the class of fast magnetosonic waves. The analysis of solar wind parameters, interplanetary magnetic field (IMF), and values of the auroral index AL in the period under study has shown that this event is associated with IMF Bz component disturbances and occurs during substorm development.

Finite-element numerical modeling of atmospheric turbulent boundary layer

NASA Technical Reports Server (NTRS)

Lee, H. N.; Kao, S. K.

1979-01-01

A dynamic turbulent boundary-layer model in the neutral atmosphere is constructed, using a dynamic turbulent equation of the eddy viscosity coefficient for momentum derived from the relationship among the turbulent dissipation rate, the turbulent kinetic energy and the eddy viscosity coefficient, with aid of the turbulent second-order closure scheme. A finite-element technique was used for the numerical integration. In preliminary results, the behavior of the neutral planetary boundary layer agrees well with the available data and with the existing elaborate turbulent models, using a finite-difference scheme. The proposed dynamic formulation of the eddy viscosity coefficient for momentum is particularly attractive and can provide a viable alternative approach to study atmospheric turbulence, diffusion and air pollution.

Sensitivity of polarization fluctuations to the nature of protein-water interactions: Study of biological water in four different protein-water systems

NASA Astrophysics Data System (ADS)

Ghosh, Rikhia; Banerjee, Saikat; Hazra, Milan; Roy, Susmita; Bagchi, Biman

2014-12-01

Since the time of Kirkwood, observed deviations in magnitude of the dielectric constant of aqueous protein solution from that of neat water (˜80) and slower decay of polarization have been subjects of enormous interest, controversy, and debate. Most of the common proteins have large permanent dipole moments (often more than 100 D) that can influence structure and dynamics of even distant water molecules, thereby affecting collective polarization fluctuation of the solution, which in turn can significantly alter solution's dielectric constant. Therefore, distance dependence of polarization fluctuation can provide important insight into the nature of biological water. We explore these aspects by studying aqueous solutions of four different proteins of different characteristics and varying sizes, chicken villin headpiece subdomain (HP-36), immunoglobulin binding domain protein G (GB1), hen-egg white lysozyme (LYS), and Myoglobin (MYO). We simulate fairly large systems consisting of single protein molecule and 20000-30000 water molecules (varied according to the protein size), providing a concentration in the range of ˜2-3 mM. We find that the calculated dielectric constant of the system shows a noticeable increment in all the cases compared to that of neat water. Total dipole moment auto time correlation function of water ⟨δMW(0)δMW(t)⟩ is found to be sensitive to the nature of the protein. Surprisingly, dipole moment of the protein and total dipole moment of the water molecules are found to be only weakly coupled. Shellwise decomposition of water molecules around protein reveals higher density of first layer compared to the succeeding ones. We also calculate heuristic effective dielectric constant of successive layers and find that the layer adjacent to protein has much lower value (˜50). However, progressive layers exhibit successive increment of dielectric constant, finally reaching a value close to that of bulk 4-5 layers away. We also calculate shellwise orientational correlation function and tetrahedral order parameter to understand the local dynamics and structural re-arrangement of water. Theoretical analysis providing simple method for calculation of shellwise local dielectric constant and implication of these findings are elaborately discussed in the present work.

A New Paradigm for Turbulence Control for Drag Reduction

DTIC Science & Technology

2017-02-27

regions with different physical dynamics such as the low-turbulence suction region. C. Ekman Layer Flow and Modeling The Ekman layer19 is a boundary layer...S. Biringen, and P. P. Sullivan, J. Fluid Mech. 724, 581 (2013). 22 S. Waggy, S. Biringen, and A. Kucala, Geophysical and Astrophysical Fluid

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

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Lawson, John W.

2016-01-01

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

Thermal conductivity measurement of amorphous dielectric multilayers for phase-change memory power reduction

NASA Astrophysics Data System (ADS)

Fong, S. W.; Sood, A.; Chen, L.; Kumari, N.; Asheghi, M.; Goodson, K. E.; Gibson, G. A.; Wong, H.-S. P.

2016-07-01

In this work, we investigate the temperature-dependent thermal conductivities of few nanometer thick alternating stacks of amorphous dielectrics, specifically SiO2/Al2O3 and SiO2/Si3N4. Experiments using steady-state Joule-heating and electrical thermometry, while using a micro-miniature refrigerator over a wide temperature range (100-500 K), show that amorphous thin-film multilayer SiO2/Si3N4 and SiO2/Al2O3 exhibit through-plane room temperature effective thermal conductivities of about 1.14 and 0.48 W/(m × K), respectively. In the case of SiO2/Al2O3, the reduced conductivity is attributed to lowered film density (7.03 → 5.44 × 1028 m-3 for SiO2 and 10.2 → 8.27 × 1028 m-3 for Al2O3) caused by atomic layer deposition of thin-films as well as a small, finite, and repeating thermal boundary resistance (TBR) of 1.5 m2 K/GW between dielectric layers. Molecular dynamics simulations reveal that vibrational mismatch between amorphous oxide layers is small, and that the TBR between layers is largely due to imperfect interfaces. Finally, the impact of using this multilayer dielectric in a dash-type phase-change memory device is studied using finite-element simulations.

Role of the antiferromagnetic pinning layer on spin wave properties in IrMn/NiFe based spin-valves

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

Gubbiotti, G., E-mail: gubbiotti@fisica.unipg.it; Tacchi, S.; Del Bianco, L.

2015-05-07

Brillouin light scattering (BLS) was exploited to study the spin wave properties of spin-valve (SV) type samples basically consisting of two 5 nm-thick NiFe layers (separated by a Cu spacer of 5 nm), differently biased through the interface exchange coupling with an antiferromagnetic IrMn layer. Three samples were investigated: a reference SV sample, without IrMn (reference); one sample with an IrMn underlayer (10 nm thick) coupled to the bottom NiFe film; one sample with IrMn underlayer and overlayer of different thickness (10 nm and 6 nm), coupled to the bottom and top NiFe film, respectively. The exchange coupling with the IrMn, causing the insurgence ofmore » the exchange bias effect, allowed the relative orientation of the NiFe magnetization vectors to be controlled by an external magnetic field, as assessed through hysteresis loop measurements by magneto-optic magnetometry. Thus, BLS spectra were acquired by sweeping the magnetic field so as to encompass both the parallel and antiparallel alignment of the NiFe layers. The BLS results, well reproduced by the presented theoretical model, clearly revealed the combined effects on the spin dynamic properties of the dipolar interaction between the two NiFe films and of the interface IrMn/NiFe exchange coupling.« less

Experimental study of the flow in the wake of a stationary sphere immersed in a turbulent boundary layer

NASA Astrophysics Data System (ADS)

van Hout, René; Eisma, Jerke; Elsinga, Gerrit E.; Westerweel, Jerry

2018-02-01

In many applications, finite-sized particles are immersed in a turbulent boundary layer (TBL) and it is of interest to study wall effects on the instantaneous shedding of turbulence structures and associated mean velocity and Reynolds stress distributions. Here, 3D flow field dynamics in the wake of a prototypical, small sphere (D+=50 , 692

A novel method for visualising and quantifying through-plane skin layer deformations.

PubMed

Gerhardt, L-C; Schmidt, J; Sanz-Herrera, J A; Baaijens, F P T; Ansari, T; Peters, G W M; Oomens, C W J

2012-10-01

Skin is a multilayer composite and exhibits highly non-linear, viscoelastic, anisotropic material properties. In many consumer product and medical applications (e.g. during shaving, needle insertion, patient re-positioning), large tissue displacements and deformations are involved; consequently large local strains in the skin tissue can occur. Here, we present a novel imaging-based method to study skin deformations and the mechanics of interacting skin layers of full-thickness skin. Shear experiments and real-time video recording were combined with digital image correlation and strain field analysis to visualise and quantify skin layer deformations during dynamic mechanical testing. A global shear strain of 10% was applied to airbrush-patterned porcine skin (thickness: 1.2-1.6mm) using a rotational rheometer. The recordings were analysed with ARAMIS image correlation software, and local skin displacement, strain and stiffness profiles through the skin layers determined. The results of this pilot study revealed inhomogeneous skin deformation, characterised by a gradual transition from a low (2.0-5.0%; epidermis) to high (10-22%; dermis) shear strain regime. Shear moduli ranged from 20 to 130kPa. The herein presented method will be used for more extended studies on viable human skin, and is considered a valuable foundation for further development of constitutive models which can be used in advanced finite element analyses of skin. Copyright © 2012 Elsevier Ltd. All rights reserved.

A comparison of hydrographically and optically derived mixed layer depths

USGS Publications Warehouse

Zawada, D.G.; Zaneveld, J.R.V.; Boss, E.; Gardner, W.D.; Richardson, M.J.; Mishonov, A.V.

2005-01-01

Efforts to understand and model the dynamics of the upper ocean would be significantly advanced given the ability to rapidly determine mixed layer depths (MLDs) over large regions. Remote sensing technologies are an ideal choice for achieving this goal. This study addresses the feasibility of estimating MLDs from optical properties. These properties are strongly influenced by suspended particle concentrations, which generally reach a maximum at pycnoclines. The premise therefore is to use a gradient in beam attenuation at 660 nm (c660) as a proxy for the depth of a particle-scattering layer. Using a global data set collected during World Ocean Circulation Experiment cruises from 1988-1997, six algorithms were employed to compute MLDs from either density or temperature profiles. Given the absence of published optically based MLD algorithms, two new methods were developed that use c660 profiles to estimate the MLD. Intercomparison of the six hydrographically based algorithms revealed some significant disparities among the resulting MLD values. Comparisons between the hydrographical and optical approaches indicated a first-order agreement between the MLDs based on the depths of gradient maxima for density and c660. When comparing various hydrographically based algorithms, other investigators reported that inherent fluctuations of the mixed layer depth limit the accuracy of its determination to 20 m. Using this benchmark, we found a ???70% agreement between the best hydrographical-optical algorithm pairings. Copyright 2005 by the American Geophysical Union.

Electronic cooling via interlayer Coulomb coupling in multilayer epitaxial graphene

PubMed Central

Mihnev, Momchil T.; Tolsma, John R.; Divin, Charles J.; Sun, Dong; Asgari, Reza; Polini, Marco; Berger, Claire; de Heer, Walt A.; MacDonald, Allan H.; Norris, Theodore B.

2015-01-01

In van der Waals bonded or rotationally disordered multilayer stacks of two-dimensional (2D) materials, the electronic states remain tightly confined within individual 2D layers. As a result, electron–phonon interactions occur primarily within layers and interlayer electrical conductivities are low. In addition, strong covalent in-plane intralayer bonding combined with weak van der Waals interlayer bonding results in weak phonon-mediated thermal coupling between the layers. We demonstrate here, however, that Coulomb interactions between electrons in different layers of multilayer epitaxial graphene provide an important mechanism for interlayer thermal transport, even though all electronic states are strongly confined within individual 2D layers. This effect is manifested in the relaxation dynamics of hot carriers in ultrafast time-resolved terahertz spectroscopy. We develop a theory of interlayer Coulomb coupling containing no free parameters that accounts for the experimentally observed trends in hot-carrier dynamics as temperature and the number of layers is varied. PMID:26399955

Hydration dynamics of a lipid membrane: Hydrogen bond networks and lipid-lipid associations

NASA Astrophysics Data System (ADS)

Srivastava, Abhinav; Debnath, Ananya

2018-03-01

Dynamics of hydration layers of a dimyristoylphosphatidylcholine (DMPC) bilayer are investigated using an all atom molecular dynamics simulation. Based upon the geometric criteria, continuously residing interface water molecules which form hydrogen bonds solely among themselves and then concertedly hydrogen bonded to carbonyl, phosphate, and glycerol head groups of DMPC are identified. The interface water hydrogen bonded to lipids shows slower relaxation rates for translational and rotational dynamics compared to that of the bulk water and is found to follow sub-diffusive and non-diffusive behaviors, respectively. The mean square displacements and the reorientational auto-correlation functions are slowest for the interfacial waters hydrogen bonded to the carbonyl oxygen since these are buried deep in the hydrophobic core among all interfacial water studied. The intermittent hydrogen bond auto-correlation functions are calculated, which allows breaking and reformations of the hydrogen bonds. The auto-correlation functions for interfacial hydrogen bonded networks develop humps during a transition from cage-like motion to eventual power law behavior of t-3/2. The asymptotic t-3/2 behavior indicates translational diffusion dictated dynamics during hydrogen bond breaking and formation irrespective of the nature of the chemical confinement. Employing reactive flux correlation analysis, the forward rate constant of hydrogen bond breaking and formation is calculated which is used to obtain Gibbs energy of activation of the hydrogen bond breaking. The relaxation rates of the networks buried in the hydrophobic core are slower than the networks near the lipid-water interface which is again slower than bulk due to the higher Gibbs energy of activation. Since hydrogen bond breakage follows a translational diffusion dictated mechanism, chemically confined hydrogen bond networks need an activation energy to diffuse through water depleted hydrophobic environments. Our calculations reveal that the slow relaxation rates of interfacial waters in the vicinity of lipids are originated from the chemical confinement of concerted hydrogen bond networks. The analysis suggests that the networks in the hydration layer of membranes dynamically facilitate the water mediated lipid-lipid associations which can provide insights on the thermodynamic stability of soft interfaces relevant to biological systems in the future.

Analogue of Caldera Dynamics: the Controlled Salt Cavern Collapse

NASA Astrophysics Data System (ADS)

Jousset, P. G.; Rohmer, J.

2012-12-01

Caldera collapse (or pit-crater) dynamics are inferred from geological observations and laboratory experiments. Here, we present an analogue of caldera collapse at field scale and possible analogy with large scale caldera dynamics. Through an original exploitation technique in sedimentary environment, a salt layer is emptied, leaving a brine-filled cavern, which eventually collapses after overburden falls into the cavern. Such a collapse was monitored in East France by many instruments (including GPS, extensometers, geophones, broadband seismological sensors, tiltmeter, gravity meter, … ), which allowed us to describe mechanisms of the collapse. Micro-seismicity is a good indicator of spatio-temporal evolution of physical properties of rocks prior to catastrophic events like volcanic eruptions or landslides and may be triggered by a number of causes including dynamic characteristics of processes in play or/and external forces. We show evidence of triggered micro-seismicity observed in the vicinity of this underground salt cavern prone to collapse by a remote M~7.2 earthquake, which occurred ~12000 kilometres away. High-dynamic broadband records reveal the strong time-correlation between a dramatic change in the rate of local high-frequency micro-seismicity and the passage of low-frequency seismic waves, including body, Love and Rayleigh surface waves. Pressure was lowered in the cavern by pumping operations of brine out of the cavern. We demonstrate the near critical state of the cavern before the collapse by means of 2D axisymmetric elastic finite-element simulations. Stress oscillations due to the seismic waves may have exceeded the strength required for the rupture of the complex media made of brine and rock triggering micro-earthquakes and leading to damage of the overburden and eventually collapse of the salt cavern. The increment of stress necessary for the failure of a Dolomite layer is of the same order or magnitude as the maximum dynamic stress magnitude observed during the passage of the earthquakes waves. On this basis, we discuss the possible contribution of the Love and Rayleigh low-frequency surfaces waves. This experiment may help us understand mechanisms of caldera formation.

Structural stability, microbial biomass and community composition of sediments affected by the hydric dynamics of an urban stormwater infiltration basin. Dynamics of physical and microbial characteristics of stormwater sediment.

PubMed

Badin, Anne Laure; Monier, Armelle; Volatier, Laurence; Geremia, Roberto A; Delolme, Cécile; Bedell, Jean-Philippe

2011-05-01

The sedimentary layer deposited at the surface of stormwater infiltration basins is highly organic and multicontaminated. It undergoes considerable moisture content fluctuations due to the drying and inundation cycles (called hydric dynamics) of these basins. Little is known about the microflora of the sediments and its dynamics; hence, the purpose of this study is to describe the physicochemical and biological characteristics of the sediments at different hydric statuses of the infiltration basin. Sediments were sampled at five time points following rain events and dry periods. They were characterized by physical (aggregation), chemical (nutrients and heavy metals), and biological (total, bacterial and fungal biomasses, and genotypic fingerprints of total bacterial and fungal communities) parameters. Data were processed using statistical analyses which indicated that heavy metal (1,841 μg/g dry weight (DW)) and organic matter (11%) remained stable through time. By contrast, aggregation, nutrient content (NH₄⁺, 53-717 μg/g DW), pH (6.9-7.4), and biological parameters were shown to vary with sediment water content and sediment biomass, and were higher consecutive to stormwater flows into the basin (up to 7 mg C/g DW) than during dry periods (0.6 mg C/g DW). Coinertia analysis revealed that the structure of the bacterial communities is driven by the hydric dynamics of the infiltration basin, although no such trend was found for fungal communities. Hydric dynamics more than rain events appear to be more relevant for explaining variations of aggregation, microbial biomass, and shift in the microbial community composition. We concluded that the hydric dynamics of stormwater infiltration basins greatly affects the structural stability of the sedimentary layer, the biomass of the microbial community living in it and its dynamics. The decrease in aggregation consecutive to rewetting probably enhances access to organic matter (OM), explaining the consecutive release of NH₄⁺, the bloom of the microbial biomass, and the change in structure of the bacterial community. These results open new perspectives for basin management since the risk of OM and pollutant transfer to the aquifer is greatly affected by alternating dry and flood periods.

Leaving moss and litter layers undisturbed reduces the short-term environmental consequences of heathland managed burns.

PubMed

Grau-Andrés, Roger; Davies, G Matt; Waldron, Susan; Scott, E Marian; Gray, Alan

2017-12-15

Variation in the structure of ground fuels, i.e. the moss and litter (M/L) layer, may be an important control on fire severity in heather moorlands and thus influence vegetation regeneration and soil carbon dynamics. We completed experimental fires in a Calluna vulgaris-dominated heathland to study the role of the M/L layer in determining (i) fire-induced temperature pulses into the soil and (ii) post-fire soil thermal dynamics. Manually removing the M/L layer before burning increased fire-induced soil heating, both at the soil surface and 2 cm below. Burnt plots where the M/L layer was removed simulated the fuel structure after high severity fires where ground fuels are consumed but the soil does not ignite. Where the M/L layer was manually removed, either before or after the fire, post-fire soil thermal dynamics showed larger diurnal and seasonal variation, as well as similar patterns to those observed after wildfires, compared to burnt plots where the M/L layer was not manipulated. We used soil temperatures to explore potential changes in post-fire soil respiration. Simulated high fire severity (where the M/L layer was manually removed) increased estimates of soil respiration in warm months. With projected fire regimes shifting towards higher severity fires, our results can help land managers develop strategies to balance ecosystem services in Calluna-dominated habitats. Copyright © 2017 The Authors. Published by Elsevier Ltd.. All rights reserved.

Duplex Tear Film Evaporation Analysis.

PubMed

Stapf, M R; Braun, R J; King-Smith, P E

2017-12-01

Tear film thinning, hyperosmolarity, and breakup can cause irritation and damage to the human eye, and these form an area of active investigation for dry eye syndrome research. Recent research demonstrates that deficiencies in the lipid layer may cause locally increased evaporation, inducing conditions for breakup. In this paper, we explore the conditions for tear film breakup by considering a model for tear film dynamics with two mobile fluid layers, the aqueous and lipid layers. In addition, we include the effects of osmosis, evaporation as modified by the lipid, and the polar portion of the lipid layer. We solve the system numerically for reasonable parameter values and initial conditions and analyze how shifts in these cause changes to the system's dynamics.

The effect of chain rigidity on the interfacial layer thickness and dynamics of polymer nanocomposites

NASA Astrophysics Data System (ADS)

Cheng, Shiwang; Carrillo, Jan-Michael Y.; Carroll, Bobby; Sumpter, Bobby G.; Sokolov, Alexei P.

There are growing experimental evidences showing the existence of an interfacial layer that has a finite thickness with slowing down dynamics in polymer nanocomposites (PNCs). Moreover, it is believed that the interfacial layer plays a significant role on various macroscopic properties of PNCs. A thicker interfacial layer is found to have more pronounced effect on the macroscopic properties such as the mechanical enhancement. However, it is not clear what molecular parameter controls the interfacial layer thickness. Inspired by our recent computer simulations that showed the chain rigidity correlated well with the interfacial layer thickness, we performed systematic experimental studies on different polymer nanocomposites by varying the chain stiffness. Combining small-angle X-ray scattering, broadband dielectric spectroscopy and temperature modulated differential scanning calorimetry, we find a good correlation between the polymer Kuhn length and the thickness of the interfacial layer, confirming the earlier computer simulations results. Our findings provide a direct guidance for the design of new PNCs with desired properties.

A Theory of Density Layering in Stratified Turbulence using Statistical State Dynamics

NASA Astrophysics Data System (ADS)

Fitzgerald, J.; Farrell, B.

2016-12-01

Stably stratified turbulent fluids commonly develop density structures that are layered in the vertical direction (e.g., Manucharyan et al., 2015). Within layers, density is approximately constant and stratification is weak. Between layers, density varies rapidly and stratification is strong. A common explanation for the existence of layers invokes the negative diffusion mechanism of Phillips (1972) & Posmentier (1977). The physical principle underlying this mechanism is that the flux-gradient relationship connecting the turbulent fluxes of buoyancy to the background stratification must have the special property of weakening fluxes with strengthening gradient. Under these conditions, the evolution of the stratification is governed by a negative diffusion problem which gives rise to spontaneous layer formation. In previous work on stratified layering, this flux-gradient property is often assumed (e.g, Posmentier, 1977) or drawn from phenomenological models of turbulence (e.g., Balmforth et al., 1998).In this work we develop the theoretical underpinnings of layer formation by applying stochastic turbulence modeling and statistical state dynamics (SSD) to predict the flux-gradient relation and analyze layer formation directly from the equations of motion. We show that for stochastically-forced homogeneous 2D Boussinesq turbulence, the flux-gradient relation can be obtained analytically and indicates that the fluxes always strengthen with stratification. The Phillips mechanism thus does not operate in this maximally simplified scenario. However, when the problem is augmented to include a large scale background shear, we show that the flux-gradient relationship is modified so that the fluxes weaken with stratification. Sheared and stratified 2D Boussinesq turbulence thus spontaneously forms density layers through the Phillips mechanism. Using SSD (Farrell & Ioannou 2003), we obtain a closed, deterministic dynamics for the stratification and the statistical turbulent state. We show that density layers form as a linear instability of the sheared turbulence, associated with a supercritical bifurcation. We further show that SSD predicts the nonlinear equilibration and maintenance of the layers, and captures the phenomena of layer growth and mergers (Radko, 2007).

Mid-lithospheric discontinuity and its roles in the dynamic evolution of the craton-example from the North China Craton

NASA Astrophysics Data System (ADS)

Chen, Ling; Wei, Zigen; Jiang, Mingming; Ling, Yuan

2016-04-01

Mid-lithospheric discontinuity and its roles in the dynamic evolution of the craton - example from the North China Craton Ling Chen1,2, Zigen Wei3, Mingming Jiang1, Yuan Ling1 1. State Key Laboratory of Lithospheric Evolution, Institute of Geology and Geophysics, Chinese Academy of Sciences, Beijing 100029, China 2. CAS Center for Excellence in Tibetan Plateau Earth Sciences, Beijing100101, China 3. State Key Laboratory of Geodesy and Earth's Dynamics, Institute of Geodesy and Geophysics, Chinese Academy of Sciences, Wuhan 430077, China Detailed knowledge of lithospheric structure is essential for understanding the long-term evolution and dynamics of continents. We present an integrated lithospheric structural image along an E-W profile across the North China Craton (NCC) derived from the teleseismic data recorded at two dense seismic arrays in combination with other geophysical and geological observations. Our S- and P-receiver function images show substantial undulations of the lithosphere-asthenosphere boundary (LAB), from 60-100 km in the eastern NCC to ~160-200 km in the central-western NCC, and <150-km in the Qilian orogenic belt further to the west, accompanying marked lithospheric structural variations. This agrees with previous studies that suggest the occurrence of fundamental destruction in the eastern NCC but localized lithospheric thinning and modifications in the central-western NCC. A negative velocity discontinuity is identified at the depth of ~80-100 km within the thick lithosphere of the central-western NCC, spatially coincident with the top interface of a relatively low velocity layer in the overall high velocity mantle root imaged by surface wave tomography. Detailed data analyses show that this mid- or intra-lithospheric discontinuity has considerably larger S-to-P and P-to-S conversion amplitudes than the LAB below, which provides observational constraints to further decipher the origin of the discontinuity. Our imaging results corroborate recent seismic studies that reveal similar discontinuities at ~100 km depth under stable continental regions worldwide, suggesting the common presence of vertical heterogeneities and layering in the sub-continental lithospheric mantle (SCLM). The ~100-km depth discontinuity and the corresponding velocity decrease in the SCLM may indicate an ancient, mechanically weak layer within the overall strong cratonic lithosphere, which probably also existed beneath the eastern NCC before its Mesozoic destruction. The presence of such a weak layer could have facilitated simultaneous lithospheric modification at the base and in the middle of the lithosphere in the eastern NCC, especially under the strong influence of the Mesozoic Pacific subduction, eventually leading to the severe lithospheric thinning and destruction recorded in this part of the craton. The weak layer probably did not strongly affect the stability and evolution of the central and western NCC and other cratonic regions where effects from plate boundary processes were weak. Our seismic images, integrated with geological data, provide new insights into structural heterogeneities in the subcontinental lithospheric mantle and their roles in the dynamic evolution of continents.

In-plane dynamic Green's functions for inclined and uniformly distributed loads in a multi-layered transversely isotropic half-space

NASA Astrophysics Data System (ADS)

Ba, Zhenning; Kang, Zeqing; Liang, Jianwen

2018-04-01

The dynamic stiffness method combined with the Fourier transform is utilized to derive the in-plane Green's functions for inclined and uniformly distributed loads in a multi-layered transversely isotropic (TI) half-space. The loaded layer is fixed to obtain solutions restricted in it and the corresponding reactions forces, which are then applied to the total system with the opposite sign. By adding solutions restricted in the loaded layer to solutions from the reaction forces, the global solutions in the wavenumber domain are obtained, and the dynamic Green's functions in the space domain are recovered by the inverse Fourier transform. The presented formulations can be reduced to the isotropic case developed by Wolf (1985), and are further verified by comparisons with existing solutions in a uniform isotropic as well as a layered TI half-space subjected to horizontally distributed loads which are special cases of the more general problem addressed. The deduced Green's functions, in conjunction with boundary element methods, will lead to significant advances in the investigation of a variety of wave scattering, wave radiation and soil-structure interaction problems in a layered TI site. Selected numerical results are given to investigate the influence of material anisotropy, frequency of excitation, inclination angle and layered on the responses of displacement and stress, and some conclusions are drawn.

O the Development and Use of Four-Dimensional Data Assimilation in Limited-Area Mesoscale Models Used for Meteorological Analysis.

NASA Astrophysics Data System (ADS)

Stauffer, David R.

1990-01-01

The application of dynamic relationships to the analysis problem for the atmosphere is extended to use a full-physics limited-area mesoscale model as the dynamic constraint. A four-dimensional data assimilation (FDDA) scheme based on Newtonian relaxation or "nudging" is developed and evaluated in the Penn State/National Center for Atmospheric Research (PSU/NCAR) mesoscale model, which is used here as a dynamic-analysis tool. The thesis is to determine what assimilation strategies and what meterological fields (mass, wind or both) have the greatest positive impact on the 72-h numerical simulations (dynamic analyses) of two mid-latitude, real-data cases. The basic FDDA methodology is tested in a 10-layer version of the model with a bulk-aerodynamic (single-layer) representation of the planetary boundary layer (PBL), and refined in a 15-layer version of the model by considering the effects of data assimilation within a multi-layer PBL scheme. As designed, the model solution can be relaxed toward either gridded analyses ("analysis nudging"), or toward the actual observations ("obs nudging"). The data used for assimilation include standard 12-hourly rawinsonde data, and also 3-hourly mesoalpha-scale surface data which are applied within the model's multi-layer PBL. Continuous assimilation of standard-resolution rawinsonde data into the 10-layer model successfully reduced large-scale amplitude and phase errors while the model realistically simulated mesoscale structures poorly defined or absent in the rawinsonde analyses and in the model simulations without FDDA. Nudging the model fields directly toward the rawinsonde observations generally produced results comparable to nudging toward gridded analyses. This obs -nudging technique is especially attractive for the assimilation of high-frequency, asynoptic data. Assimilation of 3-hourly surface wind and moisture data into the 15-layer FDDA system was most effective for improving the simulated precipitation fields because a significant portion of the vertically integrated moisture convergence often occurs in the PBL. Overall, the best dynamic analyses for the PBL, mass, wind and precipitation fields were obtained by nudging toward analyses of rawinsonde wind, temperature and moisture (the latter uses a weaker nudging coefficient) above the model PBL and toward analyses of surface-layer wind and moisture within the model PBL.

Tipping Point for Expansion of Layered Aluminosilicates in Weakly Polar Solvents: Supercritical CO 2

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

Schaef, Herbert T.; Loganathan, Narasimhan; Bowers, Geoffrey M.

Layered aluminosilicates play a dominant role in the mechanical and gas storage properties of the subsurface, are used in diverse industrial applications, and serve as model materials for understanding solvent-ion-support systems. Although expansion in the presence of H2O is well known to be systematically correlated with the hydration free energy of the interlayer cation, in environments dominated by non-polar solvents (i.e. CO2), uptake into the interlayer is not well-understood. Using novel high pressure capabilities, we investigated the interaction of super-critical CO2 with Na+-, NH4+-, and Cs+-saturated montmorillonite, comparing results with predictions from molecular dynamics simulations. Despite the known trend inmore » H2O, and that cation solvation energies in CO2 suggest a stronger interaction with Na+, both the NH4+- and Cs+-clays readily absorbed CO2 and expanded while the Na+-clay did not. The apparent inertness of the Na+-clay was not due to kinetics, as experiments seeking a stable expanded state showed that none exists. Molecular dynamics simulations revealed a large endothermicity to CO2 intercalation in the Na+-clay, but little or no energy barrier for the NH4+- and Cs+-clays. Consequently, we have shown for the first time that in the presence of a low dielectric constant gas swelling depends more on the strength of the interaction between interlayer cation and aluminosilicate sheets and less on that with solvent. The finding suggests a distinct regime in layered aluminosilicates swelling behavior triggered by low solvent polarizability, with important implications in geomechanics, storage and retention of volatile gases, and across industrial uses in gelling, decoloring, heterogeneous catalysis, and semi-permeable reactive barriers.« less

Role of interstitial branching in the development of visual corticocortical connections: a time-lapse and fixed-tissue analysis.

PubMed

Ruthazer, Edward S; Bachleda, Amelia R; Olavarria, Jaime F

2010-12-15

We combined fixed-tissue and time-lapse analyses to investigate the axonal branching phenomena underlying the development of topographically organized ipsilateral projections from area 17 to area 18a in the rat. These complementary approaches allowed us to relate static, large-scale information provided by traditional fixed-tissue analysis to highly dynamic, local, small-scale branching phenomena observed with two-photon time-lapse microscopy in acute slices of visual cortex. Our fixed-tissue data revealed that labeled area 17 fibers invaded area 18a gray matter at topographically restricted sites, reaching superficial layers in significant numbers by postnatal day 6 (P6). Moreover, most parental axons gave rise to only one or occasionally a small number of closely spaced interstitial branches beneath 18a. Our time-lapse data showed that many filopodium-like branches emerged along parental axons in white matter or deep layers in area 18a. Most of these filopodial branches were transient, often disappearing after several minutes to hours of exploratory extension and retraction. These dynamic behaviors decreased significantly from P4, when the projection is first forming, through the second postnatal week, suggesting that the expression of, or sensitivity to, cortical cues promoting new branch addition in the white matter is developmentally down-regulated coincident with gray matter innervation. Together, these data demonstrate that the development of topographically organized corticocortical projections in rats involves extensive exploratory branching along parental axons and invasion of cortex by only a small number of interstitial branches, rather than the widespread innervation of superficial cortical layers by an initially exuberant population of branches. © 2010 Wiley-Liss, Inc.

Hybrid Large Eddy Simulation / Reynolds Averaged Navier-Stokes Modeling in Directed Energy Applications

NASA Astrophysics Data System (ADS)

Zilberter, Ilya Alexandrovich

In this work, a hybrid Large Eddy Simulation / Reynolds-Averaged Navier Stokes (LES/RANS) turbulence model is applied to simulate two flows relevant to directed energy applications. The flow solver blends the Menter Baseline turbulence closure near solid boundaries with a Lenormand-type subgrid model in the free-stream with a blending function that employs the ratio of estimated inner and outer turbulent length scales. A Mach 2.2 mixing nozzle/diffuser system representative of a gas laser is simulated under a range of exit pressures to assess the ability of the model to predict the dynamics of the shock train. The simulation captures the location of the shock train responsible for pressure recovery but under-predicts the rate of pressure increase. Predicted turbulence production at the wall is found to be highly sensitive to the behavior of the RANS turbulence model. A Mach 2.3, high-Reynolds number, three-dimensional cavity flow is also simulated in order to compute the wavefront aberrations of an optical beam passing thorough the cavity. The cavity geometry is modeled using an immersed boundary method, and an auxiliary flat plate simulation is performed to replicate the effects of the wind-tunnel boundary layer on the computed optical path difference. Pressure spectra extracted on the cavity walls agree with empirical predictions based on Rossiter's formula. Proper orthogonal modes of the wavefront aberrations in a beam originating from the cavity center agree well with experimental data despite uncertainty about in flow turbulence levels and boundary layer thicknesses over the wind tunnel window. Dynamic mode decomposition of a planar wavefront spanning the cavity reveals that wavefront distortions are driven by shear layer oscillations at the Rossiter frequencies; these disturbances create eddy shocklets that propagate into the free-stream, creating additional optical wavefront distortion.

Comparison of Analytic Hierarchy Process, Catastrophe and Entropy techniques for evaluating groundwater prospect of hard-rock aquifer systems

NASA Astrophysics Data System (ADS)

Jenifer, M. Annie; Jha, Madan K.

2017-05-01

Groundwater is a treasured underground resource, which plays a central role in sustainable water management. However, it being hidden and dynamic in nature, its sustainable development and management calls for precise quantification of this precious resource at an appropriate scale. This study demonstrates the efficacy of three GIS-based multi-criteria decision analysis (MCDA) techniques, viz., Analytic Hierarchy Process (AHP), Catastrophe and Entropy in evaluating groundwater potential through a case study in hard-rock aquifer systems. Using satellite imagery and relevant field data, eight thematic layers (rainfall, land slope, drainage density, soil, lineament density, geology, proximity to surface water bodies and elevation) of the factors having significant influence on groundwater occurrence were prepared. These thematic layers and their features were assigned suitable weights based on the conceptual frameworks of AHP, Catastrophe and Entropy techniques and then they were integrated in the GIS environment to generate an integrated raster layer depicting groundwater potential index of the study area. The three groundwater prospect maps thus yielded by these MCDA techniques were verified using a novel approach (concept of 'Dynamic Groundwater Potential'). The validation results revealed that the groundwater potential predicted by the AHP technique has a pronounced accuracy of 87% compared to the Catastrophe (46% accuracy) and Entropy techniques (51% accuracy). It is concluded that the AHP technique is the most reliable for the assessment of groundwater resources followed by the Entropy method. The developed groundwater potential maps can serve as a scientific guideline for the cost-effective siting of wells and the effective planning of groundwater development at a catchment or basin scale.

Energy transfer mechanisms in layered 2D perovskites.

PubMed

Williams, Olivia F; Guo, Zhenkun; Hu, Jun; Yan, Liang; You, Wei; Moran, Andrew M

2018-04-07

Two-dimensional (2D) perovskite quantum wells are generating broad scientific interest because of their potential for use in optoelectronic devices. Recently, it has been shown that layers of 2D perovskites can be grown in which the average thicknesses of the quantum wells increase from the back to the front of the film. This geometry carries implications for light harvesting applications because the bandgap of a quantum well decreases as its thickness increases. The general structural formula for the 2D perovskite systems under investigation in this work is (PEA) 2 (MA) n-1 [Pb n I 3n+1 ] (PEA = phenethyl ammonium, MA = methyl ammonium). Here, we examine two layered 2D perovskites with different distributions of quantum well thicknesses. Spectroscopic measurements and model calculations suggest that both systems funnel electronic excitations from the back to the front of the film through energy transfer mechanisms on the time scales of 100's of ps (i.e., energy transfer from thinner to thicker quantum wells). In addition, the model calculations demonstrate that the transient absorption spectra are composed of a progression of single exciton and biexciton resonances associated with the individual quantum wells. We find that exciton dissociation and/or charge transport dynamics make only minor contributions to the transient absorption spectra within the first 1 ns after photo-excitation. An analysis of the energy transfer kinetics indicates that the transitions occur primarily between quantum wells with values of n that differ by 1 because of the spectral overlap factor that governs the energy transfer rate. Two-dimensional transient absorption spectra reveal a pattern of resonances consistent with the dominance of sequential energy transfer dynamics.

Energy transfer mechanisms in layered 2D perovskites

NASA Astrophysics Data System (ADS)

Williams, Olivia F.; Guo, Zhenkun; Hu, Jun; Yan, Liang; You, Wei; Moran, Andrew M.

2018-04-01

Two-dimensional (2D) perovskite quantum wells are generating broad scientific interest because of their potential for use in optoelectronic devices. Recently, it has been shown that layers of 2D perovskites can be grown in which the average thicknesses of the quantum wells increase from the back to the front of the film. This geometry carries implications for light harvesting applications because the bandgap of a quantum well decreases as its thickness increases. The general structural formula for the 2D perovskite systems under investigation in this work is (PEA)2(MA)n-1[PbnI3n+1] (PEA = phenethyl ammonium, MA = methyl ammonium). Here, we examine two layered 2D perovskites with different distributions of quantum well thicknesses. Spectroscopic measurements and model calculations suggest that both systems funnel electronic excitations from the back to the front of the film through energy transfer mechanisms on the time scales of 100's of ps (i.e., energy transfer from thinner to thicker quantum wells). In addition, the model calculations demonstrate that the transient absorption spectra are composed of a progression of single exciton and biexciton resonances associated with the individual quantum wells. We find that exciton dissociation and/or charge transport dynamics make only minor contributions to the transient absorption spectra within the first 1 ns after photo-excitation. An analysis of the energy transfer kinetics indicates that the transitions occur primarily between quantum wells with values of n that differ by 1 because of the spectral overlap factor that governs the energy transfer rate. Two-dimensional transient absorption spectra reveal a pattern of resonances consistent with the dominance of sequential energy transfer dynamics.

Molecular Dynamics Simulation of the Crystal Nucleation and Growth Behavior of Methane Hydrate in the Presence of the Surface and Nanopores of Porous Sediment.

PubMed

Yan, Ke-Feng; Li, Xiao-Sen; Chen, Zhao-Yang; Xia, Zhi-Ming; Xu, Chun-Gang; Zhang, Zhiqiang

2016-08-09

The behavior of hydrate formation in porous sediment has been widely studied because of its importance in the investigation of reservoirs and in the drilling of natural gas hydrate. However, it is difficult to understand the hydrate nucleation and growth mechanism on the surface and in the nanopores of porous media by experimental and numerical simulation methods. In this work, molecular dynamics simulations of the nucleation and growth of CH4 hydrate in the presence of the surface and nanopores of clay are carried out. The molecular configurations and microstructure properties are analyzed for systems containing one H2O hydrate layer (System A), three H2O hydrate layers (System B), and six H2O hydrate layers (System C) in both clay and the bulk solution. It is found that hydrate formation is more complex in porous media than in the pure bulk solution and that there is cooperativity between hydrate growth and molecular diffusion in clay nanopores. The hydroxylated edge sites of the clay surface could serve as a source of CH4 molecules to facilitate hydrate nucleation. The diffusion velocity of molecules is influenced by the growth of the hydrate that forms a block in the throats of the clay nanopore. Comparing hydrate growth in different clay pore sizes reveals that the pore size plays an important role in hydrate growth and molecular diffusion in clay. This simulation study provides the microscopic mechanism of hydrate nucleation and growth in porous media, which can be favorable for the investigation of the formation of natural gas hydrate in sediments.

Understanding dynamic changes in live cell adhesion with neutron reflectometry

NASA Astrophysics Data System (ADS)

Junghans, Ann

Understanding the structure and functionality of biological systems on a nanometer-resolution and short temporal scales is important for solving complex biological problems, developing innovative treatment, and advancing the design of highly functionalized biomimetic materials. For example, adhesion of cells to an underlying substrate plays a crucial role in physiology and disease development, and has been investigated with great interest for several decades. In the talk, we would like to highlight recent advances in utilizing neutron scattering to study bio-related structures in dynamic conditions (e . g . under the shear flow) including in-situ investigations of the interfacial properties of living cells. The strength of neutron reflectometry is its non-pertubative nature, the ability to probe buried interfaces with nanometer resolution and its sensitivity to light elements like hydrogen and carbon. That allows us to study details of cell - substrate interfaces that are not accessible with any other standard techniques. We studied the adhesion of human brain tumor cells (U251) to quartz substrates and their responses to the external mechanical forces. Such cells are isolated within the central nervous system which makes them difficult to reach with conventional therapies and therefore making them highly invasive. Our results reveal changes in the thickness and composition of the adhesion layer (a layer between the cell lipid membrane and the quartz substrate), largely composed of hyaluronic acid and associated proteoglycans, when the cells were subjected to shear stress. Further studies will allow us to determine more conditions triggering changes in the composition of the bio-material in the adhesion layer. This, in turn, can help to identify changes that correlate with tumor invasiveness, which can have significant medical impact for the development of targeted anti-invasive therapies.

Role of Interstitial Branching in the Development of Visual Corticocortical Connections: A Time-Lapse and Fixed-Tissue Analysis

PubMed Central

Ruthazer, Edward S.; Bachleda, Amelia R.; Olavarria, Jaime F.

2013-01-01

We combined fixed-tissue and time-lapse analyses to investigate the axonal branching phenomena underlying the development of topographically organized ipsilateral projections from area 17 to area 18a in the rat. These complementary approaches allowed us to relate static, large-scale information provided by traditional fixed-tissue analysis to highly dynamic, local, small-scale branching phenomena observed with two-photon time-lapse microscopy in acute slices of visual cortex. Our fixed-tissue data revealed that labeled area 17 fibers invaded area 18a gray matter at topographically restricted sites, reaching superficial layers in significant numbers by postnatal day 6 (P6). Moreover, most parental axons gave rise to only one or occasionally a small number of closely spaced interstitial branches beneath 18a. Our time-lapse data showed that many filopodium-like branches emerged along parental axons in white matter or deep layers in area 18a. Most of these filopo-dial branches were transient, often disappearing after several minutes to hours of exploratory extension and retraction. These dynamic behaviors decreased significantly from P4, when the projection is first forming, through the second postnatal week, suggesting that the expression of, or sensitivity to, cortical cues promoting new branch addition in the white matter is developmentally down-regulated coincident with gray matter innervation. Together, these data demonstrate that the development of topographically organized corticocortical projections in rats involves extensive exploratory branching along parental axons and invasion of cortex by only a small number of interstitial branches, rather than the widespread innervation of superficial cortical layers by an initially exuberant population of branches. PMID:21031561

Dry Rainbelts: Understanding Boundary Layer Controls on the ITCZ Using a Dry Dynamical Core

NASA Astrophysics Data System (ADS)

Hill, S. A.; Bordoni, S.; Mitchell, J.

2017-12-01

Though migrations of Earth's Intertropical Convergence Zone (ITCZ) are often interpreted in terms of meridional energy transports, a recent study using an idealized, aquaplanet GCM indicates that the ITCZ's position is also linked to the character of the boundary layer momentum budget. Namely, moist convection within the ITCZ roughly coincides with a transition in the role of relative vorticity advection in the boundary layer, from being of leading-order to lower-order importance. This is insensitive to the presence of mid-latitude eddies or thermal inertia and holds over a range of planetary rotation rates, with this transitional regime and the ITCZ extending farther poleward the slower the planet is rotating. We use an even simpler model, a dry dynamical core, to further refine the theoretical understanding of these results, via simulations analogous to and extending the aforementioned moist cases. The importance of planetary rotation and lack thereof for both baroclinic eddies and thermal inertia emerge in the dry simulations also, implying base causes rooted in simpler, steady-state, solsticial, axisymmetric, dry dynamics. We further elucidate the role of the boundary layer dynamical processes through comparison with arguments dating to at least 1972 (although largely overlooked in recent literature) that convection is forced by convergence driven by a shallowing of the boundary layer depth, with this shallowing resulting from the transition from an advective to an Ekman balance on frictional drag. We discuss the potential links between this dynamical perspective and the popular energetic framework for ITCZ migrations and the resulting implications for moist convection on Earth and other planetary bodies.

Investigation of the structure and stability of SnO2 nanocrystal and its surface-bound water

NASA Astrophysics Data System (ADS)

Wang, H.; Wesolowski, D. J.; Proffen, T. E.; Kolesnikov, A. I.; Vlcek, L.; Wang, W.; Feygenson, M.; Sofo, J. O.; Anovitz, L.

2012-12-01

Driven partly by a myriad use of engineered metal oxide nanoparticles, understanding their stabilities and interactions with environmental matrix during and after applications are desired. SnO2 (cassiterite) is one of the frequently used oxides in solid-state gas sensors and oxidation catalysts. A close relationship between the gas sensitivity and catalysis of oxides with their surface chemistry ensures continuous interests in the study of SnO2-water interfacial complexity (unavoidable "contamination" in which water can potentially participate in reactions and change SnO2 conductivity). Such information is important, as the existence of hydration layers on the surface of SnO2 nanoparticles not only play a critical role in stabilizing the nanoparticle but also affect its selectivity/sensitivity, as a nanosensor. SnO2 nanoparticles (2-5 nm) synthesized by a wet chemical route are dominated by {110} faces and are capped with H2O or D2O water molecules (after purification), depending on isotopic composition of water used for syntheses. When water is in direct contact with terminal Sn and O atoms, there is a controversial argument as to whether or not dissociative adsorption occurs (i.e., formation of hydroxyl groups). Although theoretical studies point toward a tendency for dissociative configuration in the direct contact layer, experimental studies have not unambiguously confirmed this conclusion. We present combined investigations using neutron total scattering (NPDF at the NOMAD beamline, SNS) and inelastic neutron scattering (INS at the SEQUOIA beamline, SNS) techniques as static and dynamic probes to reveal structure and dynamics of water and SnO2 nanocrystalline stability upon dehydration. The NPDF results (measured with deuterated samples) suggest layered water configurations with G(r) signals dominated by O-D bonds at 0.98 Å, and the second hydration layer that gives a broad peak at 2.5-4 Å. There is no evidence of a third hydration layer at 5-7 Å as shown by our previous molecular dynamic (MD) simulations, perhaps because this outermost hydration layer is not laterally-ordered parallel to the oxide surface and thus contributes a much weaker G(r) signal than the first two layers. Additionally, due to the relatively broad distribution of D-D distances and Fourier termination ripples, NPDF results cannot provide unambiguous evidence about the formation of hydroxylated surfaces, even though the dissociative MD model gives a better fitted result. Upon heating to 250 °C (at 10-7 bar), SnO2 nanoparticles start to show surface transformation and increased crystallinity before completion of dehydration. This likely corresponds to the minimum concentration of surface-bound groups required to stabilize the nanoparticles (i.e., < 0.7 monolayer coverage). Attempts to remove D2O/OD- groups below this threshold lead to rapidly increase of crystallinity. INS experiments on SnO2 nanoparticles with a minimum threshold coverage and with those from a fully hydrated sample clearly suggested dissociated water configurations with no observations of H2O bending modes in the sample with a minimum threshold coverage. Corresponding ab initio MD simulation on SnO2 (110) surface for a comparison with INS results is underway to provide a complete picture of SnO2-water surface dynamics.

Deep and persistent melt layer in the Archaean mantle

NASA Astrophysics Data System (ADS)

Andrault, Denis; Pesce, Giacomo; Manthilake, Geeth; Monteux, Julien; Bolfan-Casanova, Nathalie; Chantel, Julien; Novella, Davide; Guignot, Nicolas; King, Andrew; Itié, Jean-Paul; Hennet, Louis

2018-02-01

The transition from the Archaean to the Proterozoic eon ended a period of great instability at the Earth's surface. The origin of this transition could be a change in the dynamic regime of the Earth's interior. Here we use laboratory experiments to investigate the solidus of samples representative of the Archaean upper mantle. Our two complementary in situ measurements of the melting curve reveal a solidus that is 200-250 K lower than previously reported at depths higher than about 100 km. Such a lower solidus temperature makes partial melting today easier than previously thought, particularly in the presence of volatiles (H2O and CO2). A lower solidus could also account for the early high production of melts such as komatiites. For an Archaean mantle that was 200-300 K hotter than today, significant melting is expected at depths from 100-150 km to more than 400 km. Thus, a persistent layer of melt may have existed in the Archaean upper mantle. This shell of molten material may have progressively disappeared because of secular cooling of the mantle. Crystallization would have increased the upper mantle viscosity and could have enhanced mechanical coupling between the lithosphere and the asthenosphere. Such a change might explain the transition from surface dynamics dominated by a stagnant lid on the early Earth to modern-like plate tectonics with deep slab subduction.

Early stage oxynitridation process of Si(001) surface by NO gas: Reactive molecular dynamics simulation study

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

Cao, Haining; Kim, Seungchul; Lee, Kwang-Ryeol, E-mail: krlee@kist.re.kr

2016-03-28

Initial stage of oxynitridation process of Si substrate is of crucial importance in fabricating the ultrathin gate dielectric layer of high quality in advanced MOSFET devices. The oxynitridation reaction on a relaxed Si(001) surface is investigated via reactive molecular dynamics (MD) simulation. A total of 1120 events of a single nitric oxide (NO) molecule reaction at temperatures ranging from 300 to 1000 K are statistically analyzed. The observed reaction kinetics are consistent with the previous experimental or calculation results, which show the viability of the reactive MD technique to study the NO dissociation reaction on Si. We suggest the reaction pathwaymore » for NO dissociation that is characterized by the inter-dimer bridge of a NO molecule as the intermediate state prior to NO dissociation. Although the energy of the inter-dimer bridge is higher than that of the intra-dimer one, our suggestion is supported by the ab initio nudged elastic band calculations showing that the energy barrier for the inter-dimer bridge formation is much lower. The growth mechanism of an ultrathin Si oxynitride layer is also investigated via consecutive NO reactions simulation. The simulation reveals the mechanism of self-limiting reaction at low temperature and the time evolution of the depth profile of N and O atoms depending on the process temperature, which would guide to optimize the oxynitridation process condition.« less

Elastic and thermal properties of the layered thermoelectrics BiOCuSe and LaOCuSe

NASA Astrophysics Data System (ADS)

Saha, S. K.; Dutta, G.

2016-09-01

We determine the elastic properties of the layered thermoelectrics BiOCuSe and LaOCuSe using first-principles density functional theory calculations. To predict their stability, we calculate six distinct elastic constants, where all of them are positive, and suggest mechanically stable tetragonal crystals. As elastic properties relate to the nature and the strength of the chemical bond, the latter is analyzed by means of real-space descriptors, such as the electron localization function (ELF) and Bader charge. From elastic constants, a set of related properties, namely, bulk modulus, shear modulus, Young's modulus, sound velocity, Debye temperature, Grüneisen parameter, and thermal conductivity, are evaluated. Both materials are found to be ductile in nature and not brittle. We find BiOCuSe to have a smaller sound velocity and, hence, within the accuracy of the used Slack's model, a smaller thermal conductivity than LaOCuSe. Our calculations also reveal that the elastic properties and the related lattice thermal transport of both materials exhibit a much larger anisotropy than their electronic band properties that are known to be moderately anisotropic because of a moderate effective-electron-mass anisotropy. Finally, we determine the lattice dynamical properties, such as phonon dispersion, atomic displacement, and mode Grüneisen parameters, in order to correlate the elastic response, chemical bonding, and lattice dynamics.

Analysis of the dynamic avalanche of carrier stored trench bipolar transistor (CSTBT) during clamped inductive turn-off transient

NASA Astrophysics Data System (ADS)

Xue, Peng; Fu, Guicui

2017-03-01

The dynamic avalanche has a huge impact on the switching robustness of carrier stored trench bipolar transistor (CSTBT). The purpose of this work is to investigate the CSTBT's dynamic avalanche mechanism during clamped inductive turn-off transient. At first, with a Mitsubishi 600 V/150 A CSTBT and a Infineon 600 V/200 A field stop insulated gate bipolar transistor (FS-IGBT) utilized, the clamped inductive turn-off characteristics are obtained by double pulse test. The unclamped inductive switching (UIS) test is also utilized to identify the CSTBT's clamping voltage under dynamic avalanche condition. After the test data analysis, it is found that the CSTBT's dynamic avalanche is abnormal and can be triggered under much looser condition than the conventional buffer layer IGBT. The comparison between the FS-IGBT and CSTBT's experimental results implies that the CSTBT's abnormal dynamic avalanche phenomenon may be induced by the carrier storage (CS) layer. Based on the semiconductor physics, the electric field distribution and dynamic avalanche generation in the depletion region are analyzed. The analysis confirms that the CS layer is the root cause of the CSTBT's abnormal dynamic avalanche mechanism. Moreover, the CSTBT's negative gate capacitance effect is also investigated to clarify the underlying mechanism of the gate voltage bump observed in the test. In the end, the mixed-mode numerical simulation is utilized to reproduce the CSTBT's dynamic avalanche behavior. The simulation results validate the proposed dynamic avalanche mechanisms.

CFD application to supersonic/hypersonic inlet airframe integration. [computational fluid dynamics (CFD)

NASA Technical Reports Server (NTRS)

Benson, Thomas J.

1988-01-01

Supersonic external compression inlets are introduced, and the computational fluid dynamics (CFD) codes and tests needed to study flow associated with these inlets are outlined. Normal shock wave turbulent boundary layer interaction is discussed. Boundary layer control is considered. Glancing sidewall shock interaction is treated. The CFD validation of hypersonic inlet configurations is explained. Scramjet inlet modules are shown.

Dynamical origins of the community structure of an online multi-layer society

NASA Astrophysics Data System (ADS)

Klimek, Peter; Diakonova, Marina; Eguíluz, Víctor M.; San Miguel, Maxi; Thurner, Stefan

2016-08-01

Social structures emerge as a result of individuals managing a variety of different social relationships. Societies can be represented as highly structured dynamic multiplex networks. Here we study the dynamical origins of the specific community structures of a large-scale social multiplex network of a human society that interacts in a virtual world of a massive multiplayer online game. There we find substantial differences in the community structures of different social actions, represented by the various layers in the multiplex network. Community sizes distributions are either fat-tailed or appear to be centered around a size of 50 individuals. To understand these observations we propose a voter model that is built around the principle of triadic closure. It explicitly models the co-evolution of node- and link-dynamics across different layers of the multiplex network. Depending on link and node fluctuation probabilities, the model exhibits an anomalous shattered fragmentation transition, where one layer fragments from one large component into many small components. The observed community size distributions are in good agreement with the predicted fragmentation in the model. This suggests that several detailed features of the fragmentation in societies can be traced back to the triadic closure processes.

Computer Modeling of the Dynamic Strength of Metal-Plastic Cylindrical Shells Under Explosive Loading

NASA Astrophysics Data System (ADS)

Abrosimov, N. A.; Novosel'tseva, N. A.

2017-05-01

A technique for numerically analyzing the dynamic strength of two-layer metal-plastic cylindrical shells under an axisymmetric internal explosive loading is developed. The kinematic deformation model of the layered package is based on a nonclassical theory of shells. The geometric relations are constructed using relations of the simplest quadratic version of the nonlinear elasticity theory. The stress and strain tensors in the composite macrolayer are related by Hooke's law for an orthotropic body with account of degradation of the stiffness characteristics of the multilayer package due to local failure of some its elementary layers. The physical relations in the metal layer are formulated in terms of a differential theory of plasticity. An energy-correlated resolving system of dynamic equations for the metal-plastic cylindrical shells is derived by minimizing the functional of total energy of the shells as three-dimensional bodies. The numerical method for solving the initial boundary-value problem formulated is based on an explicit variational-difference scheme. The reliability of the technique considered is verified by comparing numerical results with experimental data. An analysis of the ultimate strains and strength of one-layer basalt-and glass-fiber-reinforced plastic and two-layer metalplastic cylindrical shells is carried out.

Analytical solution for static and dynamic analysis of magnetically affected viscoelastic orthotropic double-layered graphene sheets resting on viscoelastic foundation

NASA Astrophysics Data System (ADS)

Jalaei, M. H.; Arani, A. Ghorbanpour

2018-02-01

By considering the small scale effect based on the nonlocal Eringen's theory, the static and dynamic analysis of viscoelastic orthotropic double-layered graphene sheets subjected to longitudinal magnetic field and mechanical load is investigated analytically. For this objective, first order shear deformation theory (FSDT) is proposed. The surrounding medium is simulated by visco-Pasternak foundation model in which damping, normal and transverse shear loads are taken into account. The governing equations of motion are obtained via energy method and Hamilton's principle which are then solved analytically by means of Navier's approach and Laplace inversion technique in the space and time domains, respectively. Through various parametric studies, the influences of the nonlocal parameter, structural damping, van der Waals (vdW) interaction, stiffness and damping coefficient of the foundation, magnetic parameter, aspect ratio and length to thickness ratio on the static and dynamic response of the nanoplates are examined. The results depict that when the vdW interaction is considered to be zero, the upper layer deflection reaches a maximum point whereas the lower layer deflection becomes zero. In addition, it is observed that with growing the vdW interaction, the effect of magnetic field on the deflection of the lower layer increases while this effect reduces for the upper layer deflection.

Bi-layer plate-type acoustic metamaterials with Willis coupling

NASA Astrophysics Data System (ADS)

Ma, Fuyin; Huang, Meng; Xu, Yicai; Wu, Jiu Hui

2018-01-01

Dynamic effective negative parameters are principal to the representation of the physical properties of metamaterials. In this paper, a bi-layer plate-type unit was proposed with both a negative mass density and a negative bulk modulus; moreover, through analysis of these bi-layer structures, some important problems about acoustic metamaterials were studied. First, dynamic effective mass densities and the bulk modulus of the bi-layer plate-type acoustic structure were clarified through both the direct and the retrieval methods, and, in addition, the intrinsic relationship between the sound transmission (absorption) characteristics and the effective parameters was analyzed. Furthermore, the properties of dynamic effective parameters for an asymmetric bi-layer acoustic structure were further considered through an analysis of experimental data, and the modified effective parameters were then obtained through consideration of the Willis coupling in the asymmetric passive system. In addition, by taking both the clamped and the periodic boundary conditions into consideration in the bi-layer plate-type acoustic system, new perspectives were presented for study on the effective parameters and sound insulation properties in the range below the cut-off frequency. The special acoustic properties established by these effective parameters could enrich our knowledge and provide guidance for the design and installation of acoustic metamaterial structures in future sound engineering practice.

Dynamic topology and flux rope evolution during non-linear tearing of 3D null point current sheets

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

Wyper, P. F., E-mail: peterw@maths.dundee.ac.uk; Pontin, D. I., E-mail: dpontin@maths.dundee.ac.uk

2014-10-15

In this work, the dynamic magnetic field within a tearing-unstable three-dimensional current sheet about a magnetic null point is described in detail. We focus on the evolution of the magnetic null points and flux ropes that are formed during the tearing process. Generally, we find that both magnetic structures are created prolifically within the layer and are non-trivially related. We examine how nulls are created and annihilated during bifurcation processes, and describe how they evolve within the current layer. The type of null bifurcation first observed is associated with the formation of pairs of flux ropes within the current layer.more » We also find that new nulls form within these flux ropes, both following internal reconnection and as adjacent flux ropes interact. The flux ropes exhibit a complex evolution, driven by a combination of ideal kinking and their interaction with the outflow jets from the main layer. The finite size of the unstable layer also allows us to consider the wider effects of flux rope generation. We find that the unstable current layer acts as a source of torsional magnetohydrodynamic waves and dynamic braiding of magnetic fields. The implications of these results to several areas of heliophysics are discussed.« less

Anomalous Diffusion of Water in Lamellar Membranes Formed by Pluronic Polymers

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Ohl, Michael; Han, Youngkyu; Smith, Gregory; Do, Changwoo; Biology; Soft-Matter Division, Oak Ridge National Laboratory Team; Julich CenterNeutron Science Team

Water diffusion is playing an important role in polymer systems. We calculated the water diffusion coefficient at different layers along z-direction which is perpendicular to the lamellar membrane formed by Pluronic block copolymers (L62: (EO6-PO34-EO6)) with the molecular dynamics simulation trajectories. Water molecules at bulk layers are following the normal diffusion, while that at hydration layers formed by polyethylene oxide (PEO) and hydrophobic layers formed by polypropylene oxide (PPO) are following anomalous diffusion. We find that although the subdiffusive regimes at PEO layers and PPO layers are the same, which is the fractional Brownian motion, however, the dynamics are different, i.e. diffusion at the PEO layers is much faster than that at the PPO layers, and meanwhile it exhibits a normal diffusive approximation within a short time period which is governed by the localized free self-diffusion, but becomes subdiffusive after t >8 ps, which is governed by the viscoelastic medium. The Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; and Zhe Zhang gratefully acknowledges financial support from Julich Center for Neutron Science.

The Balanced Cross-Layer Design Routing Algorithm in Wireless Sensor Networks Using Fuzzy Logic.

PubMed

Li, Ning; Martínez, José-Fernán; Hernández Díaz, Vicente

2015-08-10

Recently, the cross-layer design for the wireless sensor network communication protocol has become more and more important and popular. Considering the disadvantages of the traditional cross-layer routing algorithms, in this paper we propose a new fuzzy logic-based routing algorithm, named the Balanced Cross-layer Fuzzy Logic (BCFL) routing algorithm. In BCFL, we use the cross-layer parameters' dispersion as the fuzzy logic inference system inputs. Moreover, we give each cross-layer parameter a dynamic weight according the value of the dispersion. For getting a balanced solution, the parameter whose dispersion is large will have small weight, and vice versa. In order to compare it with the traditional cross-layer routing algorithms, BCFL is evaluated through extensive simulations. The simulation results show that the new routing algorithm can handle the multiple constraints without increasing the complexity of the algorithm and can achieve the most balanced performance on selecting the next hop relay node. Moreover, the Balanced Cross-layer Fuzzy Logic routing algorithm can adapt to the dynamic changing of the network conditions and topology effectively.

The Balanced Cross-Layer Design Routing Algorithm in Wireless Sensor Networks Using Fuzzy Logic

PubMed Central

Li, Ning; Martínez, José-Fernán; Díaz, Vicente Hernández

2015-01-01

Recently, the cross-layer design for the wireless sensor network communication protocol has become more and more important and popular. Considering the disadvantages of the traditional cross-layer routing algorithms, in this paper we propose a new fuzzy logic-based routing algorithm, named the Balanced Cross-layer Fuzzy Logic (BCFL) routing algorithm. In BCFL, we use the cross-layer parameters’ dispersion as the fuzzy logic inference system inputs. Moreover, we give each cross-layer parameter a dynamic weight according the value of the dispersion. For getting a balanced solution, the parameter whose dispersion is large will have small weight, and vice versa. In order to compare it with the traditional cross-layer routing algorithms, BCFL is evaluated through extensive simulations. The simulation results show that the new routing algorithm can handle the multiple constraints without increasing the complexity of the algorithm and can achieve the most balanced performance on selecting the next hop relay node. Moreover, the Balanced Cross-layer Fuzzy Logic routing algorithm can adapt to the dynamic changing of the network conditions and topology effectively. PMID:26266412

Dynamics of comb-of-comb-network polymers in random layered flows

NASA Astrophysics Data System (ADS)

Katyal, Divya; Kant, Rama

2016-12-01

We analyze the dynamics of comb-of-comb-network polymers in the presence of external random flows. The dynamics of such structures is evaluated through relevant physical quantities, viz., average square displacement (ASD) and the velocity autocorrelation function (VACF). We focus on comparing the dynamics of the comb-of-comb network with the linear polymer. The present work displays an anomalous diffusive behavior of this flexible network in the random layered flows. The effect of the polymer topology on the dynamics is analyzed by varying the number of generations and branch lengths in these networks. In addition, we investigate the influence of external flow on the dynamics by varying flow parameters, like the flow exponent α and flow strength Wα. Our analysis highlights two anomalous power-law regimes, viz., subdiffusive (intermediate-time polymer stretching and flow-induced diffusion) and superdiffusive (long-time flow-induced diffusion). The anomalous long-time dynamics is governed by the temporal exponent ν of ASD, viz., ν =2 -α /2 . Compared to a linear polymer, the comb-of-comb network shows a shorter crossover time (from the subdiffusive to superdiffusive regime) but a reduced magnitude of ASD. Our theory displays an anomalous VACF in the random layered flows that scales as t-α /2. We show that the network with greater total mass moves faster.

Interaction of lysozyme with a tear film lipid layer model: A molecular dynamics simulation study.

PubMed

Wizert, Alicja; Iskander, D Robert; Cwiklik, Lukasz

2017-12-01

The tear film is a thin multilayered structure covering the cornea. Its outermost layer is a lipid film underneath of which resides on an aqueous layer. This tear film lipid layer (TFLL) is itself a complex structure, formed by both polar and nonpolar lipids. It was recently suggested that due to tear film dynamics, TFLL contains inhomogeneities in the form of polar lipid aggregates. The aqueous phase of tear film contains lachrymal-origin proteins, whereby lysozyme is the most abundant. These proteins can alter TFLL properties, mainly by reducing its surface tension. However, a detailed nature of protein-lipid interactions in tear film is not known. We investigate the interactions of lysozyme with TFLL in molecular details by employing coarse-grained molecular dynamics simulations. We demonstrate that lysozyme, due to lateral restructuring of TFLL, is able to penetrate the tear lipid film embedded in inverse micellar aggregates. Copyright © 2017 Elsevier B.V. All rights reserved.

The multi-layer multi-configuration time-dependent Hartree method for bosons: theory, implementation, and applications.

PubMed

Cao, Lushuai; Krönke, Sven; Vendrell, Oriol; Schmelcher, Peter

2013-10-07

We develop the multi-layer multi-configuration time-dependent Hartree method for bosons (ML-MCTDHB), a variational numerically exact ab initio method for studying the quantum dynamics and stationary properties of general bosonic systems. ML-MCTDHB takes advantage of the permutation symmetry of identical bosons, which allows for investigations of the quantum dynamics from few to many-body systems. Moreover, the multi-layer feature enables ML-MCTDHB to describe mixed bosonic systems consisting of arbitrary many species. Multi-dimensional as well as mixed-dimensional systems can be accurately and efficiently simulated via the multi-layer expansion scheme. We provide a detailed account of the underlying theory and the corresponding implementation. We also demonstrate the superior performance by applying the method to the tunneling dynamics of bosonic ensembles in a one-dimensional double well potential, where a single-species bosonic ensemble of various correlation strengths and a weakly interacting two-species bosonic ensemble are considered.

An Energy-Aware Trajectory Optimization Layer for sUAS

NASA Astrophysics Data System (ADS)

Silva, William A.

The focus of this work is the implementation of an energy-aware trajectory optimization algorithm that enables small unmanned aircraft systems (sUAS) to operate in unknown, dynamic severe weather environments. The software is designed as a component of an Energy-Aware Dynamic Data Driven Application System (EA-DDDAS) for sUAS. This work addresses the challenges of integrating and executing an online trajectory optimization algorithm during mission operations in the field. Using simplified aircraft kinematics, the energy-aware algorithm enables extraction of kinetic energy from measured winds to optimize thrust use and endurance during flight. The optimization layer, based upon a nonlinear program formulation, extracts energy by exploiting strong wind velocity gradients in the wind field, a process known as dynamic soaring. The trajectory optimization layer extends the energy-aware path planner developed by Wenceslao Shaw-Cortez te{Shaw-cortez2013} to include additional mission configurations, simulations with a 6-DOF model, and validation of the system with flight testing in June 2015 in Lubbock, Texas. The trajectory optimization layer interfaces with several components within the EA-DDDAS to provide an sUAS with optimal flight trajectories in real-time during severe weather. As a result, execution timing, data transfer, and scalability are considered in the design of the software. Severe weather also poses a measure of unpredictability to the system with respect to communication between systems and available data resources during mission operations. A heuristic mission tree with different cost functions and constraints is implemented to provide a level of adaptability to the optimization layer. Simulations and flight experiments are performed to assess the efficacy of the trajectory optimization layer. The results are used to assess the feasibility of flying dynamic soaring trajectories with existing controllers as well as to verify the interconnections between EA-DDDAS components. Results also demonstrate the usage of the trajectory optimization layer in conjunction with a lattice-based path planner as a method of guiding the optimization layer and stitching together subsequent trajectories.

Reflectance Speckle of Retinal Nerve Fiber Layer Reveals Axonal Activity

PubMed Central

Huang, Xiang-Run; Knighton, Robert W.; Zhou, Ye; Zhao, Xiao-Peng

2013-01-01

Purpose. This study investigated the retinal nerve fiber layer (RNFL) reflectance speckle and tested the hypothesis that temporal change of RNFL speckle reveals axonal dynamic activity. Methods. RNFL reflectance speckle of isolated rat retinas was studied with monochromatic illumination. A series of reflectance images was collected every 5 seconds for approximately 15 minutes. Correlation coefficients (CC) of selected areas between a reference and subsequent images were calculated and plotted as a function of the time intervals between images. An exponential function fit to the time course was used to evaluate temporal change of speckle pattern. To relate temporal change of speckle to axonal activity, in vitro living retina perfused at a normal (34°C) and a lower (24°C) temperature, paraformaldehyde-fixed retina, and retina treated with microtubule depolymerization were used. Results. RNFL reflectance was not uniform; rather nerve fiber bundles had a speckled texture that changed with time. In normally perfused retina, the time constant of the CC change was 0.56 ± 0.26 minutes. In retinas treated with lower temperature and microtubule depolymerization, the time constants increased by two to four times, indicating that the speckle pattern changed more slowly. The speckled texture in fixed retina was stationary. Conclusions. Fixation stops axonal activity; treatments with either lower temperature or microtubule depolymerization are known to decrease axonal transport. The results obtained in this study suggest that temporal change of RNFL speckle reveals structural change due to axonal activity. Assessment of RNFL reflectance speckle may offer a new means of evaluating axonal function. PMID:23532525

Pulse Phase Dynamic Thermal Tomography Investigation on the Defects of the Solid-Propellant Missile Engine Cladding Layer

NASA Astrophysics Data System (ADS)

Peng, Wei; Wang, Fei; Liu, Jun-yan; Xiao, Peng; Wang, Yang; Dai, Jing-min

2018-04-01

Pulse phase dynamic thermal tomography (PP-DTT) was introduced as a nondestructive inspection technique to detect the defects of the solid-propellant missile engine cladding layer. One-dimensional thermal wave mathematical model stimulated by pulse signal was developed and employed to investigate the thermal wave transmission characteristics. The pulse phase algorithm was used to extract the thermal wave characteristic of thermal radiation. Depth calibration curve was obtained by fuzzy c-means algorithm. Moreover, PP-DTT, a depth-resolved photothermal imaging modality, was employed to enable three-dimensional (3D) visualization of cladding layer defects. The comparison experiment between PP-DTT and classical dynamic thermal tomography was investigated. The results showed that PP-DTT can reconstruct the 3D topography of defects in a high quality.

Virtual synthesis of crystals using ab initio MD: Case study on LiFePO4

NASA Astrophysics Data System (ADS)

Mishra, S. B.; Nanda, B. R. K.

2017-05-01

Molecular dynamics simulation technique is fairly successful in studying the structural aspects and dynamics of fluids. Here we study the ability of ab initio molecular dynamics (ab initio MD) to carry out virtual experiments to synthesize new crystalline materials and to predict their structures. For this purpose the olivine phosphate LiFePO4 (LFPO) is used as an example. As transition metal oxides in general are stabilized with layered geometry, we carried out ab initio MD simulations over a hypothetical layered configuration consisting of alternate LiPO2 and FeO2 layers. With intermittent steps of electron minimization, the resulted equilibrium lattice consist of PO4 tetrahedra and distorted Fe-O complexes similar to the one observed in the experimental lattice.

Stability of Boolean multilevel networks.

PubMed

Cozzo, Emanuele; Arenas, Alex; Moreno, Yamir

2012-09-01

The study of the interplay between the structure and dynamics of complex multilevel systems is a pressing challenge nowadays. In this paper, we use a semiannealed approximation to study the stability properties of random Boolean networks in multiplex (multilayered) graphs. Our main finding is that the multilevel structure provides a mechanism for the stabilization of the dynamics of the whole system even when individual layers work on the chaotic regime, therefore identifying new ways of feedback between the structure and the dynamics of these systems. Our results point out the need for a conceptual transition from the physics of single-layered networks to the physics of multiplex networks. Finally, the fact that the coupling modifies the phase diagram and the critical conditions of the isolated layers suggests that interdependency can be used as a control mechanism.

Photochemistry and dynamics of the ozone layer

NASA Technical Reports Server (NTRS)

Prinn, R. G.; Alyea, F. N.; Cunnold, D. M.

1978-01-01

The paper presents a broad review of the photochemical and dynamic theories of the ozone layer. The two theories are combined into the MIT three-dimensional dynamic-chemical quasi-geostrophic model with 26 levels in the vertical spaced in logarithmic pressure coordinates between the ground and 72-km altitude. The chemical scheme incorporates the important odd nitrogen, odd hydrogen, and odd oxygen chemistry, but is simplified in the sense that it requires specification of the distributions of NO2, OH and HO2. The prognostic equations are the vorticity equation, the perturbation thermodynamic equation, and the global mean and perturbation continuity equations for ozone; diagnostic equations include the hydrostatic equation, the balance condition, and the mass continuity equation. The model is applied to the investigation of the impact of supersonic aircraft on the ozone layer.

Dynamic clustering scheme based on the coordination of management and control in multi-layer and multi-region intelligent optical network

NASA Astrophysics Data System (ADS)

Niu, Xiaoliang; Yuan, Fen; Huang, Shanguo; Guo, Bingli; Gu, Wanyi

2011-12-01

A Dynamic clustering scheme based on coordination of management and control is proposed to reduce network congestion rate and improve the blocking performance of hierarchical routing in Multi-layer and Multi-region intelligent optical network. Its implement relies on mobile agent (MA) technology, which has the advantages of efficiency, flexibility, functional and scalability. The paper's major contribution is to adjust dynamically domain when the performance of working network isn't in ideal status. And the incorporation of centralized NMS and distributed MA control technology migrate computing process to control plane node which releases the burden of NMS and improves process efficiently. Experiments are conducted on Multi-layer and multi-region Simulation Platform for Optical Network (MSPON) to assess the performance of the scheme.

Dynamical Disentangling and Cooling of Atoms in Bilayer Optical Lattices

NASA Astrophysics Data System (ADS)

Kantian, A.; Langer, S.; Daley, A. J.

2018-02-01

We show how experimentally available bilayer lattice systems can be used to prepare quantum many-body states with exceptionally low entropy in one layer, by dynamically disentangling the two layers. This disentangling operation moves one layer—subsystem A —into a regime where excitations in A develop a single-particle gap. As a result, this operation maps directly to cooling for subsystem A , with entropy being shuttled to the other layer. For both bosonic and fermionic atoms, we study the corresponding dynamics showing that disentangling can be realized cleanly in ongoing experiments. The corresponding entanglement entropies are directly measurable with quantum gas microscopes, and, as a tool for producing lower-entropy states, this technique opens a range of applications beginning with simplifying production of magnetically ordered states of bosons and fermions.

Dual control of low concentration CO poisoning by anode air bleeding of low temperature polymer electrolyte membrane fuel cells

NASA Astrophysics Data System (ADS)

Klages, Merle; Tjønnås, Johannes; Zenith, Federico; Halvorsen, Ivar J.; Scholta, Joachim

2016-12-01

Fuel impurities, fed to a polymer electrolyte membrane fuel cell, can affect stack performance by poisoning of catalyst layers. This paper describes the dynamic behaviour of a stack, including state-of-the-art membrane electrode assemblies (MEA) of three different manufacturers, at different operating conditions. The voltage transients of the step responses to CO poisoning as well as air bleed recovery are compared, revealing differences in performance loss: slow poisoning versus fast recovery, incomplete recovery and voltage oscillation. The recorded behaviour is used to develop a model, based on Tafel equation and first order dynamic response, which can be calibrated to each MEA type. Using this model to predict voltage response, a controller is built with the aim of reducing the total amount of air bleed and monitoring upstream stack processes without the need of sensors measuring the poisoning level. Two controllers are implemented in order to show the concept from a heuristic, easy to implement, and a more technical side allowing more detailed analysis of the synthesis. The heuristic algorithm, based on periodic perturbations of the manipulated variable (air-bleed), is validated on a real stack, revealing a stabilized performance without the need of detailed stack properties knowledge.

The Great Geologic Sponge: What Do Storage Dynamics Reveal About Runoff Generation In Young Volcanic Landscapes? (Invited)

NASA Astrophysics Data System (ADS)

Grant, G. E.; Jefferson, A. J.; Tague, C.; Lewis, S.

2010-12-01

In young volcanic landscapes, such as Hawaii or the Cascade Mountains of the U.S. Pacific Northwest, runoff generation is a hidden process. These landscapes are constructed by episodic volcanism, resulting in a layer-cake stratigraphy of multiple overlapping basaltic lava flows. Because of their cooling history, such lava flows are extremely porous, so that almost all precipitation infiltrates, and is stored as groundwater. Surficial channels are poorly defined or non-existent, and runoff is discharged at high-volume springs. These springs represent “windows” into the sub-surface, and the chemistry of the emerging water reveals important clues about the timescales, pathways, and storage volumes of water at the landscape scale. For example, water isotopes of Oregon High Cascades springs indicate transit times of years to decades, and can be used to identify recharge elevations and delineate cryptic flowpaths that do not necessarily obey topographic divides. Residence times can be used to infer aquifer thickness and overall landscape storage volumes, which are immense - on order of 20 -30 cubic kilometers. Moreover, inter-annual variability in discharge from springs can be used to interpret landscape memory and sensitivity to climate variation. These young volcanic landscapes are therefore perfect laboratories for exploring the role of storage dynamics in streamflow generation.

Relationship of Estimated SHIV Acquisition Time Points During the Menstrual Cycle and Thinning of Vaginal Epithelial Layers in Pigtail Macaques.

PubMed

Kersh, Ellen N; Ritter, Jana; Butler, Katherine; Ostergaard, Sharon Dietz; Hanson, Debra; Ellis, Shanon; Zaki, Sherif; McNicholl, Janet M

2015-12-01

HIV acquisition in the female genital tract remains incompletely understood. Quantitative data on biological HIV risk factors, the influence of reproductive hormones, and infection risk are lacking. We evaluated vaginal epithelial thickness during the menstrual cycle in pigtail macaques (Macaca nemestrina). This model previously revealed increased susceptibility to vaginal infection during and after progesterone-dominated periods in the menstrual cycle. Nucleated and nonnucleated (superficial) epithelial layers were quantitated throughout the menstrual cycle of 16 macaques. We examined the relationship with previously estimated vaginal SHIVSF162P3 acquisition time points in the cycle of 43 different animals repeatedly exposed to low virus doses. In the luteal phase (days 17 to cycle end), the mean vaginal epithelium thinned to 66% of mean follicular thickness (days 1-16; P = 0.007, Mann-Whitney test). Analyzing 4-day segments, the epithelium was thickest on days 9 to 12 and thinned to 31% thereof on days 29 to 32, with reductions of nucleated and nonnucleated layers to 36% and 15% of their previous thickness, respectively. The proportion of animals with estimated SHIV acquisition in each cycle segment correlated with nonnucleated layer thinning (Pearson r = 0.7, P < 0.05, linear regression analysis), but not nucleated layer thinning (Pearson r = 0.6, P = 0.15). These data provide a detailed picture of dynamic cycle-related changes in the vaginal epithelium of pigtail macaques. Substantial thinning occurred in the superficial, nonnucleated layer, which maintains the vaginal microbiome. The findings support vaginal tissue architecture as susceptibility factor for infection and contribute to our understanding of innate resistance to SHIV infection.

A new hydrodynamic analysis of double layers

NASA Technical Reports Server (NTRS)

Hora, Heinrich

1987-01-01

A genuine two-fluid model of plasmas with collisions permits the calculation of dynamic (not necessarily static) electric fields and double layers inside of plasmas including oscillations and damping. For the first time a macroscopic model for coupling of electromagnetic and Langmuir waves was achieved with realistic damping. Starting points were laser-produced plasmas showing very high dynamic electric fields in nonlinear force-produced cavitous and inverted double layers in agreement with experiments. Applications for any inhomogeneous plasma as in laboratory or in astrophysical plasmas can then be followed up by a transparent hydrodynamic description. Results are the rotation of plasmas in magnetic fields and a new second harmonic resonance, explanation of the measured inverted double layers, explanation of the observed density-independent, second harmonics emission from laser-produced plasmas, and a laser acceleration scheme by the very high fields of the double layers.

Dynamic Response of Layered TiB/Ti Functionally Graded Material Specimens

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

Byrd, Larry; Beberniss, Tim; Chapman, Ben

2008-02-15

This paper covers the dynamic response of rectangular (25.4x101.6x3.175 mm) specimens manufactured from layers of TiB/Ti. The layers contained volume fractions of TiB that varied from 0 to 85% and thus formed a functionally graded material. Witness samples of the 85% TiB material were also tested to provide a baseline for the statistical variability of the test techniques. Static and dynamic tests were performed to determine the in situ material properties and fundamental frequencies. Damping in the material/ fixture was also found from the dynamic response. These tests were simulated using composite beam theory which gave an analytical solution, andmore » using finite element analysis. The response of the 85% TiB specimens was found to be much more uniform than the functionally graded material and the dynamic response more uniform than the static response. A least squares analysis of the data using the analytical solutions were used to determine the elastic modulus and Poisson's ratio of each layer. These results were used to model the response in the finite element analysis. The results indicate that current analytical and numerical methods for modeling the material give similar and adequate predictions for natural frequencies if the measured property values were used. The models did not agree as well if the properties from the manufacturer or those of Hill and Linn were used.« less

Examining Dynamic Stall for an Oscillating NACA 4412 Hydrofoil

NASA Astrophysics Data System (ADS)

McVay, Eric; Lang, Amy; Gamble, Lawren; Bradshaw, Michael

2013-11-01

Dynamic stall is unsteady separation that occurs when a hydrofoil pitches through the static stall angle while simultaneously experiencing a rapid change in angle of attack. The NACA 4412 hydrofoil was selected for this research because it has strong trailing edge turbulent boundary layer separation characteristics. General dynamic stall angle of attack for approximately symmetric airfoils has been recorded to occur at 24 degrees, with separation beginning at about 16 degrees. It is predicted that the boundary layer will stay attached at a higher angle of attack because of the cambered geometry of the hydrofoil. It is also hypothesized that the boundary layer separation occurs closer to the trailing edge and that the dynamic stall angle of attack occurs somewhere between 24 and 28 degrees for the oscillating NACA 4412 hydrofoil. This research was conducted in a water tunnel facility using Time Resolved Digital Particle Image Velocimetry (TR-DPIV). The hydrofoil was pitched up from 0 to 30 degrees at Reynolds numbers of 60,000, 80,000 and 100,000. Flow characteristics, dynamic stall angles of attack, and points of boundary layer separation were compared at each velocity with both tripped and un-tripped surfaces. Follow-on research will be conducted using flow control techniques from sharks and dolphins to examine the potential benefits of these natural designs for separation control. Support for this research by NSF REU Grant #1062611 and CBET Grant #0932352 is gratefully acknowledged.

Live imaging of β-1,3-glucan synthase FKS-1 in Neurospora crassa hyphae.

PubMed

Sánchez-León, Eddy; Riquelme, Meritxell

2015-09-01

The subcellular localization and dynamics of FKS-1, the putative catalytic subunit of the β-1,3-glucan synthase complex, was analyzed in growing hyphae of Neurospora crassa by live confocal microscopy. GFP-tagged FKS-1 accumulated at the outer layer of the Spitzenkörper (Spk), and at the apical plasma membrane (PM). Fluorescence recovery after photobleaching analysis revealed arrival of FKS-1-containing carriers first at the immediate surroundings of the core region of the Spk, and thereafter to the Spk most outer region. The results obtained here and previous data suggest that FKS-1 is transported to the Spk in macrovesicles. Copyright © 2015 Elsevier Inc. All rights reserved.

Non-exponential resistive switching in Ag2S memristors: a key to nanometer-scale non-volatile memory devices.

PubMed

Gubicza, Agnes; Csontos, Miklós; Halbritter, András; Mihály, György

2015-03-14

The dynamics of resistive switchings in nanometer-scale metallic junctions formed between an inert metallic tip and an Ag film covered by a thin Ag2S layer are investigated. Our thorough experimental analysis and numerical simulations revealed that the resistance change upon a switching bias voltage pulse exhibits a strongly non-exponential behaviour yielding markedly different response times at different bias levels. Our results demonstrate the merits of Ag2S nanojunctions as nanometer-scale non-volatile memory cells with stable switching ratios, high endurance as well as fast response to write/erase, and an outstanding stability against read operations at technologically optimal bias and current levels.

The deflection of carbon composite carbon nanotube / graphene using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Kolesnikova, A. S.; Kirillova, I. V.; Kossovich, L. U.

2018-02-01

For the first time, the dependence of the bending force on the transverse displacement of atoms in the center of the composite material consisting of graphene and parallel oriented zigzag nanotubes was studied. Mathematical modeling of the action of the needle of the atomic force microscope was carried out using the single-layer armchair carbon nanotube. Armchair nanotubes are convenient for using them as a needle of an atomic force microscope, because their edges are not sharpened (unlike zigzag tubes). Consequently, armchair nanotubes will cause minimal damage upon contact with the investigation object. The geometric parameters of the composite was revealed under the action of the bending force of 6μN.

Development of tactile sensory circuits in the CNS.

PubMed

Iwasato, Takuji; Erzurumlu, Reha S

2018-06-13

Molecular identification of neuronal types and genetic and imaging approaches to characterize their properties reveal morphological, physiological and dynamic aspects of sensory circuit development. Here we focus on the mouse tactile sensory circuitry, with particular emphasis on the main trigeminal pathway that connects the whiskers, the major tactile organ in rodents, to the neocortex. At each level of this pathway, neurogenesis, axonal elongation, pathfinding, target recognition and circuit reorganization including dendritic refinement of cortical layer 4 neurons occur contemporaneously and a multitude of molecular signals are used in differing combinations. We highlight recent advances in development of tactile circuitry and note gaps in our understanding. Copyright © 2018 Elsevier Ltd. All rights reserved.

Foundering of the Lithospheric Mantle under the Eastern Tibetan Plateau Revealed by Full-Wave Pn Tomography

NASA Astrophysics Data System (ADS)

Bao, X.; Shen, Y.

2017-12-01

An accurate tomography model of the lithospheric mantle is essential for understanding the dynamics and evolution of the Tibetan Plateau. Using regional earthquake records, we obtain the first full-wave Pn tomography model for the eastern Tibetan Plateau. The resulting three-dimensional model exhibits similarities to and notable differences from the previous models based on ray theory. The juxtaposition of a high-velocity anomaly under the eastern Qiangtang Terrane and a low-velocity anomaly to the south near the Bangong-Nujiang Suture (BNS) provides strong evidence that the underthrusting Indian Plate does not reach the BNS beneath the plateau east of 90°E. The model shows no evidence for a southward-subducted Qaidam lithosphere. The sandwich-like layering of a low-velocity layer between two high-velocity layers at 80 to 160 km depths, mainly beneath the Qiangtang Terrane, is consistent with the results of S-to-P receiver functions. The observed contact between these two high-velocity layers beneath the Kunlun suggests that the lower high-velocity layer can be identified as the foundering Tibetan lithospheric mantle, which may be caused by gravitational instability. Beneath the eastern Kunlun Fault and the West Qinling orogen, a southward dipping high-velocity anomaly underlies a low-velocity mantle anomaly, is a pattern consistent with a delaminated mantle lithosphere and associated upwelling asthenosphere. Together with the evidence for lithospheric delamination beneath the central and southern Tibetan Plateau in previous studies, our findings suggest that the lithospheric foundering plays an important role in the formation of the Tibetan Plateau.

Fate and transport of carbamazepine in soil aquifer treatment (SAT) infiltration basin soils.

PubMed

Arye, Gilboa; Dror, Ishai; Berkowitz, Brian

2011-01-01

The transport and fate of the pharmaceutical carbamazepine (CBZ) were investigated in the Dan Region Reclamation Project (SHAFDAN), Tel-Aviv, Israel. Soil samples were taken from seven subsections of soil profiles (150 cm) in infiltration basins of a soil aquifer treatment (SAT) system. The transport characteristics were studied from the release dynamics of soil-resident CBZ and, subsequently, from applying a pulse input of wastewater containing CBZ. In addition, a monitoring study was performed to evaluate the fate of CBZ after the SAT. Results of this study indicate adsorption, and consequently retardation, in CBZ transport through the top soil layer (0-5 cm) and to a lesser extent in the second layer (5-25 cm), but not in deeper soil layers (25-150 cm). The soluble and adsorbed fractions of CBZ obtained from the two upper soil layers comprised 45% of the total CBZ content in the entire soil profile. This behavior correlated to the higher organic matter content observed in the upper soil layers (0-25 cm). It is therefore deduced that when accounting for the full flow path of CBZ through the vadose zone to the groundwater region, the overall transport of CBZ in the SAT system is essentially conservative. The monitoring study revealed that the average concentration of CBZ decreased from 1094 ± 166 ng L⁻¹ in the recharged wastewater to 560 ± 175 ng L⁻¹ after the SAT. This reduction is explained by dilution of the recharged wastewater with resident groundwater, which may occur as it flows to active reclamation wells. Copyright © 2010 Elsevier Ltd. All rights reserved.

Dynamic changes in the distribution of minerals in relation to phytic acid accumulation during rice seed development.

PubMed

Iwai, Toru; Takahashi, Michiko; Oda, Koshiro; Terada, Yasuko; Yoshida, Kaoru T

2012-12-01

Phytic acid (inositol hexakisphosphate [InsP(6)]) is the storage compound of phosphorus in seeds. As phytic acid binds strongly to metallic cations, it also acts as a storage compound of metals. To understand the mechanisms underlying metal accumulation and localization in relation to phytic acid storage, we applied synchrotron-based x-ray microfluorescence imaging analysis to characterize the simultaneous subcellular distribution of some mineral elements (phosphorus, calcium, potassium, iron, zinc, and copper) in immature and mature rice (Oryza sativa) seeds. This fine-imaging method can reveal whether these elements colocalize. We also determined their accumulation patterns and the changes in phosphate and InsP(6) contents during seed development. While the InsP(6) content in the outer parts of seeds rapidly increased during seed development, the phosphate contents of both the outer and inner parts of seeds remained low. Phosphorus, calcium, potassium, and iron were most abundant in the aleurone layer, and they colocalized throughout seed development. Zinc was broadly distributed from the aleurone layer to the inner endosperm. Copper localized outside the aleurone layer and did not colocalize with phosphorus. From these results, we suggest that phosphorus translocated from source organs was immediately converted to InsP(6) and accumulated in aleurone layer cells and that calcium, potassium, and iron accumulated as phytic acid salt (phytate) in the aleurone layer, whereas zinc bound loosely to InsP(6) and accumulated not only in phytate but also in another storage form. Copper accumulated in the endosperm and may exhibit a storage form other than phytate.

An experimental investigation on wind turbine aeromechanics and wake interferences among multiple wind turbines

NASA Astrophysics Data System (ADS)

Ozbay, Ahmet

A comprehensive experimental study was conducted to investigate wind turbine aeromechanics and wake interferences among multiple wind turbines sited in onshore and offshore wind farms. The experiments were carried out in a large-scale Aerodynamic/Atmospheric Boundary Layer (AABL) Wind Tunnel available at Iowa State University. An array of scaled three-blade Horizontal Axial Wind Turbine (HAWT) models were placed in atmospheric boundary layer winds with different mean and turbulence characteristics to simulate the situations in onshore and offshore wind farms. The effects of the important design parameters for wind farm layout optimization, which include the mean and turbulence characteristics of the oncoming surface winds, the yaw angles of the turbines with respect to the oncoming surface winds, the array spacing and layout pattern, and the terrain topology of wind farms on the turbine performances (i.e., both power output and dynamic wind loadings) and the wake interferences among multiple wind turbines, were assessed in detail. The aeromechanic performance and near wake characteristics of a novel dual-rotor wind turbine (DRWT) design with co-rotating or counter-rotating configuration were also investigated, in comparison to a conventional single rotor wind turbine (SRWT). During the experiments, in addition to measuring dynamic wind loads (both forces and moments) and the power outputs of the scaled turbine models, a high-resolution Particle Image Velocity (PIV) system was used to conduct detailed flow field measurements (i.e., both free-run and phase-locked flow fields measurements) to reveal the transient behavior of the unsteady wake vortices and turbulent flow structures behind wind turbines and to quantify the characteristics of the wake interferences among the wind turbines sited in non-homogenous surface winds. A miniature cobra anemometer was also used to provide high-temporal-resolution data at points of interest to supplement the full field PIV measurement results. The detailed flow field measurements are correlated with the dynamic wind loads and power output measurements to elucidate underlying physics in order to gain further insight into the characteristics of the power generation performance, dynamic wind loads and wake interferences of the wind turbines for higher total power yield and better durability of the wind turbines sited in atmospheric boundary layer (ABL) winds.