A novel representation of groundwater dynamics in large-scale land surface modelling

NASA Astrophysics Data System (ADS)

Rahman, Mostaquimur; Rosolem, Rafael; Kollet, Stefan

2017-04-01

Land surface processes are connected to groundwater dynamics via shallow soil moisture. For example, groundwater affects evapotranspiration (by influencing the variability of soil moisture) and runoff generation mechanisms. However, contemporary Land Surface Models (LSM) generally consider isolated soil columns and free drainage lower boundary condition for simulating hydrology. This is mainly due to the fact that incorporating detailed groundwater dynamics in LSMs usually requires considerable computing resources, especially for large-scale applications (e.g., continental to global). Yet, these simplifications undermine the potential effect of groundwater dynamics on land surface mass and energy fluxes. In this study, we present a novel approach of representing high-resolution groundwater dynamics in LSMs that is computationally efficient for large-scale applications. This new parameterization is incorporated in the Joint UK Land Environment Simulator (JULES) and tested at the continental-scale.

First-principles calculations of the thermal stability of Ti 3SiC 2(0001) surfaces

NASA Astrophysics Data System (ADS)

Orellana, Walter; Gutiérrez, Gonzalo

2011-12-01

The energetic, thermal stability and dynamical properties of the ternary layered ceramic Ti3SiC2(0001) surface are addressed by density-functional theory calculations and molecular dynamic (MD) simulations. The equilibrium surface energy at 0 K of all terminations is contrasted with thermal stability at high temperatures, which are investigated by ab initio MD simulations in the range of 800 to 1400 °C. We find that the toplayer (sublayer) surface configurations: Si(Ti2) and Ti2(Si) show the lowest surface energies with reconstruction features for Si(Ti2). However, at high temperatures they are unstable, forming disordered structures. On the contrary, Ti1(C) and Ti2(C) despite their higher surface energies, show a remarkable thermal stability at high temperatures preserving the crystalline structures up to 1400 °C. The less stable surfaces are those terminated in C atoms, C(Ti1) and C(Ti2), which at high temperatures show surface dissociation forming amorphous TiCx structures. Two possible atomic scale mechanisms involved in the thermal stability of Ti3SiC2(0001) are discussed.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Molecular Dynamics Simulations of Surface Processes: Oxygen Recombination on Silica Surfaces at High Temperature

DTIC Science & Technology

2007-07-01

SECURITY CLASSIFICATION OF: 17. LIMITATION OF ABSTRACT UU 18 . NUMBER OF PAGES 22 19a. NAME OF RESPONSIBLE PERSON a. REPORT unclassified b. ABSTRACT...unclassified c. THIS PAGE unclassified Standard Form 298 (Rev. 8-98) Prescribed by ANSI Std Z39- 18 Molecular Dynamics Simulations of Surface...phase. O + Oad + silica -------> O2(v,j) + silica ( 18 ) The first step is

High dynamic range fringe acquisition: A novel 3-D scanning technique for high-reflective surfaces

NASA Astrophysics Data System (ADS)

Jiang, Hongzhi; Zhao, Huijie; Li, Xudong

2012-10-01

This paper presents a novel 3-D scanning technique for high-reflective surfaces based on phase-shifting fringe projection method. High dynamic range fringe acquisition (HDRFA) technique is developed to process the fringe images reflected from the shiny surfaces, and generates a synthetic fringe image by fusing the raw fringe patterns, acquired with different camera exposure time and the illumination fringe intensity from the projector. Fringe image fusion algorithm is introduced to avoid saturation and under-illumination phenomenon by choosing the pixels in the raw fringes with the highest fringe modulation intensity. A method of auto-selection of HDRFA parameters is developed and largely increases the measurement automation. The synthetic fringes have higher signal-to-noise ratio (SNR) under ambient light by optimizing HDRFA parameters. Experimental results show that the proposed technique can successfully measure objects with high-reflective surfaces and is insensitive to ambient light.

Competing Thermodynamic and Dynamic Factors Select Molecular Assemblies on a Gold Surface

NASA Astrophysics Data System (ADS)

Haxton, Thomas K.; Zhou, Hui; Tamblyn, Isaac; Eom, Daejin; Hu, Zonghai; Neaton, Jeffrey B.; Heinz, Tony F.; Whitelam, Stephen

2013-12-01

Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combining scanning tunneling microscopy with hierarchical ab initio and statistical mechanical modeling of 1,4-substituted benzenediamine (BDA) molecules adsorbed on a gold (111) surface, we demonstrate that apparently simple nanostructures are selected by a subtle competition of thermodynamics and dynamics. Of the collection of possible BDA nanostructures mechanically stabilized by hydrogen bonding, the interplay of intermolecular forces, surface modulation, and assembly dynamics select at low temperature a particular subset: low free energy oriented linear chains of monomers and high free energy branched chains.

Calculation of surface potentials at the silica–water interface using molecular dynamics: Challenges and opportunities

NASA Astrophysics Data System (ADS)

Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

2018-04-01

Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica–water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

Unusual dynamic dewetting behavior of smooth perfluorinated hybrid films: potential advantages over conventional textured and liquid-infused perfluorinated surfaces.

PubMed

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

2013-10-08

From a viewpoint of reducing the burden on the environment and human health, an alternative method for preparing liquid-repellent surfaces without relying on the long perfluorocarbons (C((X-1)/2)F(X), X ≥ 17) has been strongly demanded lately. In this study, we have successfully demonstrated that dynamic dewettability toward various probe liquids (polar and nonpolar liquids with high or low surface tension) can be tuned by not only controlling surface chemistries (surface energies) but also the physical (solid-like or liquid-like) nature of the surface. We prepared smooth and transparent organic-inorganic hybrid films exhibiting unusual dynamic dewetting behavior toward various probe liquids using a simple sol-gel reaction based on the co-hydrolysis and co-condensation of a mixture including a range of perfluoroalkylsilanes (FASX, C((X-1)/2)F(X)CH2CH2Si(OR)3, where X = 3, 9, 13, and 17) and tetramethoxysilane (Si(OCH3)4, TMOS). Dynamic contact angle (CA) and substrate tilt angle (TA) measurements confirmed that our FASX-hybrid films exhibited excellent dynamic dewetting properties and were mostly independent of the length of perfluoroalkyl (Rf) groups. For example, 10 μL droplets of ultralow surface tension liquids (e.g., diethyl ether (γ = 16.26 dyn/cm) and n-pentane (γ = 15.51 dyn/cm)) could move easily on our FAS9-, FAS13-, and FAS17-hybrid film surfaces at low substrate TAs (<4°) without pinning. This is comparable or superior to the best perfluorinated textured and flat surfaces reported so far. This exceptional dynamic dewetting behavior appeared only when TMOS molecules were added to the precursor solutions; we assume this is due to co-condensed TMOS-derived silica species working as spacers between the neighboring Rf chains, enabling them to rotate freely and in doing so provide a surface with liquid-like properties. This led to the distinguished dynamic dewettability of our hybrid films, regardless of the small static CAs. Our FASX-hybrid films also displayed excellent chemical and physical durability against thermal stress (~250 °C), high-temperature (150 °C) oil vapor, and various other media (perfluoro liquid, boiling water, and weak acid) without degrading their dynamic dewettability. Such exceptional durability has been rarely seen on conventional perfluorinated surfaces reported so far.

Wetting of crystalline polymer surfaces: A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Fan, Cun Feng; Caǧin, Tahir

1995-11-01

Molecular dynamics has been used to study the wetting of model polymer surfaces, the crystal surfaces of polyethylene (PE), poly(tetrafluoroethylene) (PTFE), and poly(ethylene terephthalate) (PET) by water and methylene iodide. In the simulation a liquid droplet is placed on a model surface and constant temperature, rigid body molecular dynamics is carried out while the model surface is kept fixed. A generally defined microscopic contact angle between a liquid droplet and a solid surface is quantitatively calculated from the volume of the droplet and the interfacial area between the droplet and the surface. The simulation results agree with the trend in experimental data for both water and methylene iodide. The shape of the droplets on the surface is analyzed and no obvious anisotropy of the droplets is seen in the surface plane, even though the crystal surfaces are highly oriented. The surface free energies of the model polymer surfaces are estimated from their contact angles with the two different liquid droplets.

From microporous regular frameworks to mesoporous materials with ultrahigh surface area: dynamic reorganization of porous polymer networks.

PubMed

Kuhn, Pierre; Forget, Aurélien; Su, Dangsheng; Thomas, Arne; Antonietti, Markus

2008-10-08

High surface area organic materials featuring both micro- and mesopores were synthesized under ionothermal conditions via the formation of polyaryltriazine networks. While the polytrimerization of nitriles in zinc chloride at 400 degrees C produces microporous polymers, higher reaction temperatures induce the formation of additional spherical mesopores with a narrow dispersity. The nitrogen-rich carbonaceous polymer materials thus obtained present surface areas and porosities up to 3300 m(2) g(-1) and 2.4 cm(3) g(-1), respectively. The key point of this synthesis relies on the occurrence of several high temperature polymerization reactions, where irreversible carbonization reactions coupled with the reversible trimerization of nitriles allow the reorganization of the dynamic triazine network. The ZnCl2 molten salt fulfills the requirement of a high temperature solvent, but is also required as catalyst. Thus, this dynamic polymerization system provides not only highly micro- and mesoporous materials, but also allows controlling the pore structure in amorphous organic materials.

Surface quality of silicon wafer improved by hydrodynamic effect polishing

NASA Astrophysics Data System (ADS)

Peng, Wenqiang; Guan, Chaoliang; Li, Shengyi

2014-08-01

Differing from the traditional pad polishing, hydrodynamic effect polishing (HEP) is non-contact polishing with the wheel floated on the workpiece. A hydrodynamic lubricated film is established between the wheel and the workpiece when the wheel rotates at a certain speed in HEP. Nanoparticles mixed with deionized water are employed as the polishing slurry, and with action of the dynamic pressure, nanoparticles with high chemisorption due to the high specific surface area can easily reacted with the surface atoms forming a linkage with workpiece surface. The surface atoms are dragged away when nanoparticles are transported to separate by the flow shear stress. The development of grand scale integration put extremely high requirements on the surface quality on the silicon wafer with surface roughness at subnanometer and extremely low surface damage. In our experiment a silicon sample was processed by HEP, and the surface topography before and after polishing was observed by the atomic force microscopy. Experiment results show that plastic pits and bumpy structures on the initial surface have been removed away clearly with the removal depth of 140nm by HEP process. The processed surface roughness has been improved from 0.737nm RMS to 0.175nm RMS(10μm×10μm) and the section profile shows peaks of the process surface are almost at the same height. However, the machining ripples on the wheel surface will duplicate on the silicon surface under the action of the hydrodynamic effect. Fluid dynamic simulation demonstrated that the coarse surface on the wheel has greatly influence on the distribution of shear stress and dynamic pressure on the workpiece surface.

Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

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

Yu, Miao; Wang, Guiling; Chen, Haishan

Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to be seen in the Northern Hemisphere high latitudes. Including representation of vegetation dynamics is expected to further amplify the model-related uncertainties in projected future changes in surface water and heat fluxes as well as soil moisture content. This is especially the case in the high latitudes of the Northern Hemisphere (e.g., northwestern North America and central North Asia) where the projected vegetation changes are uncertain and in the Tropics (e.g., the Amazon and Congo Basins) where dense vegetation exists. Finally, findings from this study highlight the importance of improving land surface model parameterizations related to soil and snow processes, as well as the importance of improving the accuracy of dynamic vegetation models.« less

Quantifying the impacts of land surface schemes and dynamic vegetation on the model dependency of projected changes in surface energy and water budgets

DOE PAGES

Yu, Miao; Wang, Guiling; Chen, Haishan

2016-03-01

Assessing and quantifying the uncertainties in projected future changes of energy and water budgets over land surface are important steps toward improving our confidence in climate change projections. In our study, the contribution of land surface models to the inter-GCM variation of projected future changes in land surface energy and water fluxes are assessed based on output from 19 global climate models (GCMs) and offline Community Land Model version 4 (CLM4) simulations driven by meteorological forcing from the 19 GCMs. Similar offline simulations using CLM4 with its dynamic vegetation submodel are also conducted to investigate how dynamic vegetation feedback, amore » process that is being added to more earth system models, may amplify or moderate the intermodel variations of projected future changes. Projected changes are quantified as the difference between the 2081–2100 period from the Representative Concentration Pathway 8.5 (RCP8.5) future experiment and the 1981–2000 period from the historical simulation. Under RCP8.5, projected changes in surface water and heat fluxes show a high degree of model dependency across the globe. Although precipitation is very likely to increase in the high latitudes of the Northern Hemisphere, a high degree of model-related uncertainty exists for evapotranspiration, soil water content, and surface runoff, suggesting discrepancy among land surface models (LSMs) in simulating the surface hydrological processes and snow-related processes. Large model-related uncertainties for the surface water budget also exist in the Tropics including southeastern South America and Central Africa. Moreover, these uncertainties would be reduced in the hypothetical scenario of a single near-perfect land surface model being used across all GCMs, suggesting the potential to reduce uncertainties through the use of more consistent approaches toward land surface model development. Under such a scenario, the most significant reduction is likely to be seen in the Northern Hemisphere high latitudes. Including representation of vegetation dynamics is expected to further amplify the model-related uncertainties in projected future changes in surface water and heat fluxes as well as soil moisture content. This is especially the case in the high latitudes of the Northern Hemisphere (e.g., northwestern North America and central North Asia) where the projected vegetation changes are uncertain and in the Tropics (e.g., the Amazon and Congo Basins) where dense vegetation exists. Finally, findings from this study highlight the importance of improving land surface model parameterizations related to soil and snow processes, as well as the importance of improving the accuracy of dynamic vegetation models.« less

Between soap bubbles and vesicles: The dynamics of freely floating smectic bubbles

NASA Astrophysics Data System (ADS)

Stannarius, Ralf; May, Kathrin; Harth, Kirsten; Trittel, Torsten

2013-03-01

The dynamics of droplets and bubbles, particularly on microscopic scales, are of considerable importance in biological, environmental, and technical contexts. We introduce freely floating bubbles of smectic liquid crystals and report their unique dynamic properties. Smectic bubbles can be used as simple models for dynamic studies of fluid membranes. In equilibrium, they form minimal surfaces like soap films. However, shape transformations of closed smectic membranes that change the surface area involve the formation and motion of molecular layer dislocations. These processes are slow compared to the capillary wave dynamics, therefore the effective surface tension is zero like in vesicles. Freely floating smectic bubbles are prepared from collapsing catenoid films and their dynamics is studied with optical high-speed imaging. Experiments are performed under normal gravity and in microgravity during parabolic flights. Supported by DLR within grant OASIS-Co.

Low-mode internal tides and balanced dynamics disentanglement in altimetric observations: Synergy with surface density observations

NASA Astrophysics Data System (ADS)

Ponte, Aurélien L.; Klein, Patrice; Dunphy, Michael; Le Gentil, Sylvie

2017-03-01

The performance of a tentative method that disentangles the contributions of a low-mode internal tide on sea level from that of the balanced mesoscale eddies is examined using an idealized high resolution numerical simulation. This disentanglement is essential for proper estimation from sea level of the ocean circulation related to balanced motions. The method relies on an independent observation of the sea surface water density whose variations are 1/dominated by the balanced dynamics and 2/correlate with variations of potential vorticity at depth for the chosen regime of surface-intensified turbulence. The surface density therefore leads via potential vorticity inversion to an estimate of the balanced contribution to sea level fluctuations. The difference between instantaneous sea level (presumably observed with altimetry) and the balanced estimate compares moderately well with the contribution from the low-mode tide. Application to realistic configurations remains to be tested. These results aim at motivating further developments of reconstruction methods of the ocean dynamics based on potential vorticity dynamics arguments. In that context, they are particularly relevant for the upcoming wide-swath high resolution altimetric missions (SWOT).

Hyporheic hot moments: Dissolved oxygen dynamics in the hyporheic zone in response to surface flow perturbations

NASA Astrophysics Data System (ADS)

Kaufman, Matthew H.; Cardenas, M. Bayani; Buttles, Jim; Kessler, Adam J.; Cook, Perran L. M.

2017-08-01

Dissolved oxygen (DO) is a key environmental variable that drives and feeds back with numerous processes. In the aquatic sediment that makes up the hyporheic zone, DO may exhibit pronounced spatial gradients and complex patterns which control the distribution of a series of redox processes. Yet, little is known regarding the dynamics of hyporheic zone DO, especially under transitional flow regimes. Considering the natural tendency of rivers to be highly responsive to external forcing, these temporal dynamics are potentially just as important and pronounced as the spatial gradients. Here we use laboratory flume experiments and multiphysics flow and reactive transport modeling to investigate surface flow controls on the depth of oxygen penetration in the bed as well as the area of oxygenated sediment. We show that the hyporheic zone DO conditions respond over time scales of hours-to-days when subjected to practically instantaneous surface flow perturbations. Additionally, the flume experiments demonstrate that hyporheic zone DO conditions respond faster to surface flow acceleration than to deceleration. Finally, we found that the morphology of the dissolved oxygen plume front depends on surface flow acceleration or deceleration. This study thus shows that the highly dynamic nature of typical streams and rivers drives equally dynamic redox conditions in the hyporheic zone. Because the redox conditions and their distribution within the hyporheic zone are important from biological, ecological, and contaminant perspectives, this hyporheic redox dynamism has the potential to impact system scale aquatic chemical cycles.

Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations

DOE PAGES

Chen, Ying; Bylaska, Eric J.; Weare, John H.

2017-03-31

Many important geochemical and biogeochemical reactions occur in the mineral/formation water interface of the highly abundant mineral, goethite (α-Fe(OOH). Ab-initio molecular dynamics (AIMD) simulations of the goethite α-FeOOH (100) surface and the structure, water bond formation and dynamics of water molecules in the mineral/aqueous interface are presented. Here, several exchange correlation functionals were employed (PBE96, PBE96+Grimme, and PBE0) in the simulations of a (3 x 2) goethite surface with 65 absorbed water molecules in a 3D-periodic supercell (a=30 Å, FeOOH slab ~12 Å thick, solvation layer ~18 Å thick).

Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations

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

Chen, Ying; Bylaska, Eric J.; Weare, John H.

Many important geochemical and biogeochemical reactions occur in the mineral/formation water interface of the highly abundant mineral, goethite (α-Fe(OOH). Ab-initio molecular dynamics (AIMD) simulations of the goethite α-FeOOH (100) surface and the structure, water bond formation and dynamics of water molecules in the mineral/aqueous interface are presented. Here, several exchange correlation functionals were employed (PBE96, PBE96+Grimme, and PBE0) in the simulations of a (3 x 2) goethite surface with 65 absorbed water molecules in a 3D-periodic supercell (a=30 Å, FeOOH slab ~12 Å thick, solvation layer ~18 Å thick).

Dynamics of the Rydberg state population of slow highly charged ions impinging a solid surface at arbitrary collision geometry

NASA Astrophysics Data System (ADS)

Nedeljković, N. N.; Majkić, M. D.; Božanić, D. K.; Dojčilović, R. J.

2016-06-01

We consider the population dynamics of the intermediate Rydberg states of highly charged ions (core charge Z\\gg 1, principal quantum number {n}{{A}}\\gg 1) interacting with solid surfaces at arbitrary collision geometry. The recently developed resonant two-state vector model for the grazing incidence (2012 J. Phys. B: At. Mol. Opt. Phys. 45 215202) is extended to the quasi-resonant case and arbitrary angle of incidence. According to the model, the population probabilities depend both on the projectile parallel and perpendicular velocity components, in a complementary way. A cascade neutralization process for {{{Xe}}}Z+ ions, for Z=15{--}45, interacting with a conductive-surface is considered by taking into account the population dynamics. For an arbitrary collision geometry and given range of ionic velocities, a micro-staircase model for the simultaneous calculation of the kinetic energy gain and the charge state of the ion in front of the surface is proposed. The relevance of the obtained results for the explanation of the formation of nanostructures on solid surfaces by slow highly charged ions for normal incidence geometry is briefly discussed.

Interaction of amino acids with the Au(111) surface: adsorption free energies from molecular dynamics simulations.

PubMed

Hoefling, Martin; Iori, Francesco; Corni, Stefano; Gottschalk, Kay-Eberhard

2010-06-01

Interactions of proteins with inorganic surfaces are of high importance in biological events and in modern biotechnological applications. Therefore, peptides have been engineered to recognize inorganic surfaces with high specificity. However, the underlying interactions are still not well understood. Here, we investigated the adsorption of amino acids as protein building blocks onto a Au(111) surface. In particular, using molecular dynamics simulations, we calculated the potential of mean force between all the 20 amino acids and the gold surface. We found a strong dependence of the binding affinities on the chemical character of the amino acids. Additionally, the interaction free energy is correlated with the propensity of amino acids to form beta-sheets, hinting at design principles for gold binding peptides and induction of beta-sheet formation near surfaces.

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.

Surface Composition Influence on Internal Gas Flow at Large Knudsen Numbers

DTIC Science & Technology

2000-07-09

situated in an ultra high vacuum system . The system is supplied with means of gas phase, surface CP585, Rarefied Gas Dynamics: 22nd International...control and gas flow measuring system . The experimental procedure consists in a few stages. The first stage includes surface preparation process at...solid body system , Proceedings 20-th Int. Symp. Rarefied Gas Dynamics, Peking University Press, Beijing, China, 1997, pp. 387-391. 3. Lord, R.G

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

NASA Astrophysics Data System (ADS)

Dey, S.; Kartik, V.

2018-03-01

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

Surface dynamics of amorphous polymers used for high-voltage insulators.

PubMed

Shemella, Philip T; Laino, Teodoro; Fritz, Oliver; Curioni, Alessandro

2011-11-24

Amorphous siloxane polymers are the backbone of high-voltage insulation materials. The natural hydrophobicity of their surface is a necessary property for avoiding leakage currents and dielectric breakdown. As these surfaces are exposed to the environment, electrical discharges or strong mechanical impact can temporarily destroy their water-repellent properties. After such events, however, a self-healing process sets in and restores the original hydrophobicity within some hours. In the present study, we investigate possible mechanisms of this restoration process. Using large-scale, all-atom molecular dynamics simulations, we show that molecules on the material surface have augmented motion that allows them to rearrange with a net polarization. The overall surface region has a net orientation that contributes to hydrophobicity, and charged groups that are placed at the surface migrate inward, away from the vacuum interface and into the bulk-like region. Our simulations provide insight into the mechanisms for hydrophobic self-recovery that repair material strength and functionality and suggest material compositions for future high-voltage insulators. © 2011 American Chemical Society

Dynamics of near-surface electric discharges and mechanisms of their interaction with the airflow

NASA Astrophysics Data System (ADS)

Leonov, Sergey B.; Adamovich, Igor V.; Soloviev, Victor R.

2016-12-01

The main focus of the review is on dynamics and kinetics of near-surface discharge plasmas, such as surface dielectric barrier discharges sustained by AC and repetitively pulsed waveforms, pulsed DC discharges, and quasi-DC discharges, generated in quiescent air and in the airflow. A number of technical issues related to plasma flow control applications are discussed in detail, including discharge development via surface ionization waves, charge transport and accumulation on dielectric surface, discharge contraction, different types of flow perturbations generated by surface discharges, and effect of high-speed flow on discharge dynamics. In the first part of the manuscript, plasma morphology and results of electrical and optical emission spectroscopy measurements are discussed. Particular attention is paid to dynamics of surface charge accumulation and dissipation, both in diffuse discharges and during development of ionization instabilities resulting in discharge contraction. Contraction leads to significant increase of both the surface area of charge accumulation and the energy coupled to the plasma. The use of alternating polarity pulse waveforms accelerates contraction of surface dielectric barrier discharges and formation of filamentary plasmas. The second part discusses the interaction of discharge plasmas with quiescent air and the external airflow. Four major types of flow perturbations have been identified: (1) low-speed near-surface jets generated by electrohydrodynamic interaction (ion wind); (2) spanwise and streamwise vortices formed by both electrohydrodynamic and thermal effects; (3) weak shock waves produced by rapid heating in pulsed discharges on sub-microsecond time scale; and (4) near-surface localized stochastic perturbations, on sub-millisecond time, detected only recently. The mechanism of plasma-flow interaction remains not fully understood, especially in filamentary surface dielectric barrier discharges. Localized quasi-DC surface discharges sustained in a high-speed flow are discussed in the third part of the review. Although dynamics of this type of the discharge is highly transient, due to its strong interaction with the flow, the resultant flow structure is stationary, including the oblique shock and the flow separation region downstream of the discharge. The oblique shock is attached to a time-averaged, wedge-shaped, near-wall plasma layer, with the shock angle controlled by the discharge power, which makes possible changing the flow structure and parameters in a controlled way. Finally, unresolved and open-ended issues are discussed in the summary.

A highly accurate dynamic contact angle algorithm for drops on inclined surface based on ellipse-fitting.

PubMed

Xu, Z N; Wang, S Y

2015-02-01

To improve the accuracy in the calculation of dynamic contact angle for drops on the inclined surface, a significant number of numerical drop profiles on the inclined surface with different inclination angles, drop volumes, and contact angles are generated based on the finite difference method, a least-squares ellipse-fitting algorithm is used to calculate the dynamic contact angle. The influences of the above three factors are systematically investigated. The results reveal that the dynamic contact angle errors, including the errors of the left and right contact angles, evaluated by the ellipse-fitting algorithm tend to increase with inclination angle/drop volume/contact angle. If the drop volume and the solid substrate are fixed, the errors of the left and right contact angles increase with inclination angle. After performing a tremendous amount of computation, the critical dimensionless drop volumes corresponding to the critical contact angle error are obtained. Based on the values of the critical volumes, a highly accurate dynamic contact angle algorithm is proposed and fully validated. Within nearly the whole hydrophobicity range, it can decrease the dynamic contact angle error in the inclined plane method to less than a certain value even for different types of liquids.

Toward understanding dynamic annealing processes in irradiated ceramics

NASA Astrophysics Data System (ADS)

Myers, Michael Thomas

High energy particle irradiation inevitably generates defects in solids in the form of collision cascades. The ballistic formation and thermalization of cascades occur rapidly and are believed to be reasonably well understood. However, knowledge of the evolution of defects after damage cascade thermalization, referred to as dynamic annealing, is quite limited. Unraveling the mechanisms associated with dynamic an- nealing is crucial since such processes play an important role in the formation of stable post-irradiation disorder in ion-beam-processed semiconductors and determines the "radiation tolerance" of many nuclear materials. The purpose of this dissertation is to further our understanding of the processes involved in dynamic annealing. In order to achieve this, two main tasks are undertaken. First, the effects of dynamic annealing are investigated in ZnO, a technologically relevant material that exhibits very high dynamic defect annealing at room temper- ature. Such high dynamic annealing leads to unusual defect accumulation in heavy ion bombarded ZnO. Through this work, the puzzling features that were observed more than a decade ago in ion-channeling spectra have finally been explained. We show that the presence of a polar surface substantially alters damage accumulation. Non-polar surface terminations of ZnO are shown to exhibit enhanced dynamic an- nealing compared to polar surface terminated ZnO. Additionally, we demonstrate one method to reduce radiation damage in polar surface terminated ZnO by means of a surface modification. These results advance our efforts in the long-sought-after goal of understanding complex radiation damage processes in ceramics. Second, a pulsed-ion-beam method is developed and demonstrated in the case of Si as a prototypical non-metallic target. Such a method is shown to be a novel experimental technique for direct extraction of dynamic annealing parameters. The relaxation times and effective diffusion lengths of mobile defects during the dynamic annealing process play a vital role in damage accumulation. We demonstrate that these parameters dominate the formation of stable post-irradiation disorder. In Si, a defect lifetime of ˜ 6 ms and a characteristic defect diffusion length of ˜ 30 nm are measured. These results should nucleate future pulsed-beam studies of dynamic defect interaction processes in technologically relevant materials. In particular, un- derstanding length- and time-scales of defect interactions are essential for extending laboratory findings to nuclear material lifetimes and to the time-scales of geological storage of nuclear waste.

Near-infrared light-responsive dynamic wrinkle patterns.

PubMed

Li, Fudong; Hou, Honghao; Yin, Jie; Jiang, Xuesong

2018-04-01

Dynamic micro/nanopatterns provide an effective approach for on-demand tuning of surface properties to realize a smart surface. We report a simple yet versatile strategy for the fabrication of near-infrared (NIR) light-responsive dynamic wrinkles by using a carbon nanotube (CNT)-containing poly(dimethylsiloxane) (PDMS) elastomer as the substrate for the bilayer systems, with various functional polymers serving as the top stiff layers. The high photon-to-thermal energy conversion of CNT leads to the NIR-controlled thermal expansion of the elastic CNT-PDMS substrate, resulting in dynamic regulation of the applied strain (ε) of the bilayer system by the NIR on/off cycle to obtain a reversible wrinkle pattern. The switchable surface topological structures can transfer between the wrinkled state and the wrinkle-free state within tens of seconds via NIR irradiation. As a proof-of-concept application, this type of NIR-driven dynamic wrinkle pattern was used in smart displays, dynamic gratings, and light control electronics.

Distributed collaborative response surface method for mechanical dynamic assembly reliability design

NASA Astrophysics Data System (ADS)

Bai, Guangchen; Fei, Chengwei

2013-11-01

Because of the randomness of many impact factors influencing the dynamic assembly relationship of complex machinery, the reliability analysis of dynamic assembly relationship needs to be accomplished considering the randomness from a probabilistic perspective. To improve the accuracy and efficiency of dynamic assembly relationship reliability analysis, the mechanical dynamic assembly reliability(MDAR) theory and a distributed collaborative response surface method(DCRSM) are proposed. The mathematic model of DCRSM is established based on the quadratic response surface function, and verified by the assembly relationship reliability analysis of aeroengine high pressure turbine(HPT) blade-tip radial running clearance(BTRRC). Through the comparison of the DCRSM, traditional response surface method(RSM) and Monte Carlo Method(MCM), the results show that the DCRSM is not able to accomplish the computational task which is impossible for the other methods when the number of simulation is more than 100 000 times, but also the computational precision for the DCRSM is basically consistent with the MCM and improved by 0.40˜4.63% to the RSM, furthermore, the computational efficiency of DCRSM is up to about 188 times of the MCM and 55 times of the RSM under 10000 times simulations. The DCRSM is demonstrated to be a feasible and effective approach for markedly improving the computational efficiency and accuracy of MDAR analysis. Thus, the proposed research provides the promising theory and method for the MDAR design and optimization, and opens a novel research direction of probabilistic analysis for developing the high-performance and high-reliability of aeroengine.

Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films

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

Mohammadi, Erfan; Zhao, Chuankai; Meng, Yifei

Solution processable semiconducting polymers have been under intense investigations due to their diverse applications from printed electronics to biomedical devices. However, controlling the macromolecular assembly across length scales during solution coating remains a key challenge, largely due to the disparity in timescales of polymer assembly and high-throughput printing/coating. Herein we propose the concept of dynamic templating to expedite polymer nucleation and the ensuing assembly process, inspired by biomineralization templates capable of surface reconfiguration. Molecular dynamic simulations reveal that surface reconfigurability is key to promoting template–polymer interactions, thereby lowering polymer nucleation barrier. Employing ionic-liquid-based dynamic template during meniscus-guided coating results inmore » highly aligned, highly crystalline donor-acceptor polymer thin films over large area (41cm 2) and promoted charge transport along both the polymer backbone and the π-π stacking direction in field-effect transistors. We further demonstrate that the charge transport anisotropy can be reversed by tuning the degree of polymer backbone alignment.« less

Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films

PubMed Central

Mohammadi, Erfan; Zhao, Chuankai; Meng, Yifei; Qu, Ge; Zhang, Fengjiao; Zhao, Xikang; Mei, Jianguo; Zuo, Jian-Min; Shukla, Diwakar; Diao, Ying

2017-01-01

Solution processable semiconducting polymers have been under intense investigations due to their diverse applications from printed electronics to biomedical devices. However, controlling the macromolecular assembly across length scales during solution coating remains a key challenge, largely due to the disparity in timescales of polymer assembly and high-throughput printing/coating. Herein we propose the concept of dynamic templating to expedite polymer nucleation and the ensuing assembly process, inspired by biomineralization templates capable of surface reconfiguration. Molecular dynamic simulations reveal that surface reconfigurability is key to promoting template–polymer interactions, thereby lowering polymer nucleation barrier. Employing ionic-liquid-based dynamic template during meniscus-guided coating results in highly aligned, highly crystalline donor–acceptor polymer thin films over large area (>1 cm2) and promoted charge transport along both the polymer backbone and the π–π stacking direction in field-effect transistors. We further demonstrate that the charge transport anisotropy can be reversed by tuning the degree of polymer backbone alignment. PMID:28703136

Dynamic-template-directed multiscale assembly for large-area coating of highly-aligned conjugated polymer thin films

DOE PAGES

Mohammadi, Erfan; Zhao, Chuankai; Meng, Yifei; ...

2017-07-13

Solution processable semiconducting polymers have been under intense investigations due to their diverse applications from printed electronics to biomedical devices. However, controlling the macromolecular assembly across length scales during solution coating remains a key challenge, largely due to the disparity in timescales of polymer assembly and high-throughput printing/coating. Herein we propose the concept of dynamic templating to expedite polymer nucleation and the ensuing assembly process, inspired by biomineralization templates capable of surface reconfiguration. Molecular dynamic simulations reveal that surface reconfigurability is key to promoting template–polymer interactions, thereby lowering polymer nucleation barrier. Employing ionic-liquid-based dynamic template during meniscus-guided coating results inmore » highly aligned, highly crystalline donor-acceptor polymer thin films over large area (41cm 2) and promoted charge transport along both the polymer backbone and the π-π stacking direction in field-effect transistors. We further demonstrate that the charge transport anisotropy can be reversed by tuning the degree of polymer backbone alignment.« less

Quantum dynamics of hydrogen atoms on graphene. II. Sticking.

PubMed

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H; Burghardt, Irene; Martinazzo, Rocco

2015-09-28

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (∼0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Quantum dynamics of hydrogen atoms on graphene. II. Sticking

NASA Astrophysics Data System (ADS)

Bonfanti, Matteo; Jackson, Bret; Hughes, Keith H.; Burghardt, Irene; Martinazzo, Rocco

2015-09-01

Following our recent system-bath modeling of the interaction between a hydrogen atom and a graphene surface [Bonfanti et al., J. Chem. Phys. 143, 124703 (2015)], we present the results of converged quantum scattering calculations on the activated sticking dynamics. The focus of this study is the collinear scattering on a surface at zero temperature, which is treated with high-dimensional wavepacket propagations with the multi-configuration time-dependent Hartree method. At low collision energies, barrier-crossing dominates the sticking and any projectile that overcomes the barrier gets trapped in the chemisorption well. However, at high collision energies, energy transfer to the surface is a limiting factor, and fast H atoms hardly dissipate their excess energy and stick on the surface. As a consequence, the sticking coefficient is maximum (˜0.65) at an energy which is about one and half larger than the barrier height. Comparison of the results with classical and quasi-classical calculations shows that quantum fluctuations of the lattice play a primary role in the dynamics. A simple impulsive model describing the collision of a classical projectile with a quantum surface is developed which reproduces the quantum results remarkably well for all but the lowest energies, thereby capturing the essential physics of the activated sticking dynamics investigated.

Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

DOE PAGES

White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

2016-04-25

Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitablemore » for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.« less

Quantum-state resolved reactive scattering at the gas-liquid interface: F+squalane (C30H62) dynamics via high-resolution infrared absorption of nascent HF(v,J).

PubMed

Zolot, Alexander M; Dagdigian, Paul J; Nesbitt, David J

2008-11-21

Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic beam of F atoms [E(com)=0.7(3) kcalmol] with a continuously refreshed liquid hydrocarbon (squalane) surface under high vacuum conditions. Absolute HF(v,J) product densities are determined by infrared laser absorption spectroscopy, with velocity distributions along the probe axis derived from high resolution Dopplerimetry. Nascent HF(v

Quantum-state resolved reactive scattering at the gas-liquid interface: F +squalane (C30H62) dynamics via high-resolution infrared absorption of nascent HF(v,J)

NASA Astrophysics Data System (ADS)

Zolot, Alexander M.; Dagdigian, Paul J.; Nesbitt, David J.

2008-11-01

Exothermic chemical reaction dynamics at the gas-liquid interface have been investigated by colliding a supersonic beam of F atoms [Ecom=0.7(3)kcal/mol] with a continuously refreshed liquid hydrocarbon (squalane) surface under high vacuum conditions. Absolute HF(v,J) product densities are determined by infrared laser absorption spectroscopy, with velocity distributions along the probe axis derived from high resolution Dopplerimetry. Nascent HF(v ⩽3) products are formed in a highly nonequilibrium (inverted) vibrational distribution [⟨Evib⟩=13.2(2)kcal/mol], reflecting insufficient time for complete thermal accommodation with the surface prior to desorption. Colder, but still non-Boltzmann, rotational state populations [⟨Erot⟩=1.0(1)kcal/mol] indicate that some fraction of molecules directly scatter into the gas phase without rotationally equilibrating with the surface. Nascent HF also recoils from the liquid surface with excess translational energy, resulting in Doppler broadened linewidths that increase systematically with internal HF excitation. The data are consistent with microscopic branching in HF-surface dynamics following the reactive event, with (i) a direct reactive scattering fraction of newly formed product molecules leaving the surface promptly and (ii) a trapping desorption fraction that accommodates rotationally (though still not vibrationally) with the bulk liquid. Comparison with analogous gas phase F +hydrocarbon processes reveals that the liquid acts as a partial "heat sink" for vibrational energy flow on the time scale of the chemical reaction event.

Molecular dynamics study of ionic liquid confined in silicon nanopore

NASA Astrophysics Data System (ADS)

Liu, Y. S.; Sha, M. L.; Cai, K. Y.

2017-05-01

Molecular dynamics simulations was carried to investigate the structure and dynamics of [BMIM][PF6] ionic liquid (IL) confined inside a slit-like silicon nanopore with pore size of 5.5 nm. It is clearly shown that the mass and number densities of the confined ILs are oscillatory, high density layers are also formed in the vicinity of the silicon surface, which indicates the existence of solid-like high density IL layers. The orientational investigation shows that the imidazolium ring of [BMIM] cation lies preferentially flat on the surface of the silicon pore walls. Furthermore, the mean squared displacement (MSD) calculation indicates that the dynamics of confined ILs are significantly slower than those observed in bulk systems. Our results suggest that the interactions between the pore walls and the ILs can strongly affect the structural and dynamical properties of the confined ILs.

Research on the dynamic response of high-contact-ratio spur gears influenced by surface roughness under EHL condition

NASA Astrophysics Data System (ADS)

Huang, Kang; Xiong, Yangshou; Wang, Tao; Chen, Qi

2017-01-01

Employing high-contact-ratio (HCR) gear is an effective method of decreasing the load on a single tooth, as well as reducing vibration and noise. While the spindlier tooth leads to greater relative sliding, having more teeth participate in contact at the same time makes the HCR gear more sensitive to the surface quality. Available literature regarding HCR gear primarily investigates the geometrical optimization, load distribution, or efficiency calculation. Limited work has been conducted on the effect of rough surfaces on the dynamic performance of HCR gear. For this reason, a multi-degree-of-freedom (MDOF) model is presented mathematically to characterize the static transmission error based on fractal theory, investigate the relative sliding friction using an EHL-based friction coefficient formula, and detail the time-varying friction coefficient suitable for HCR gear. Based on numerical results, the surface roughness has little influence on system response in terms of the dynamic transmission error but has a large effect on the motion in off-line-of-action (OLOA) direction and friction force. The impact of shaft-bearing stiffness and damping ratio is also explored with results revealing that a greater shaft-bearing stiffness is beneficial in obtaining a more stable motion in OLOA direction, and a larger damping ratio results in a smaller effective friction force. The theory presented in this report outlines a new method of analyzing the dynamics of HCR gear in respect of introducing surface roughness into MDOF model directly, as well as establishing an indirect relationship between dynamic responses and surface roughness. This method is expected to guide surface roughness design and manufacturing in the future.

Hemolymph drop impact outcomes on surfaces with varying wettability

NASA Astrophysics Data System (ADS)

Milionis, Athanasios; Ghokulla Krishnan, K.; Loth, Eric

2015-08-01

Insect fouling from coagulated hemolymph and exoskeleton parts is a major challenge in the aerospace industry for the next generation of aerodynamic surfaces, which will employ laminar flow that requires extremely smooth surfaces. However, the wetting physics and dynamics of hemolymph (insect blood) on surfaces are not well understood. The present study seeks to gain a fundamental insight on the effect of surface wetting characteristics and dynamics resulting from a hemolymph drop impact, the first such study. In particular, hemolymph drops extracted from Acheta domesticus were dispensed from a range of heights to vary the kinetic impact on surfaces, which had widely varying water wetting behavior (from superhydrophilic to superhydrophobic). The impact dynamics were investigated with high-speed imaging while the dried residues were studied with optical microscopy. It was found that a superhydrophobic surface (based on thermoplastic with silica nano-particles) was able to significantly reduce hemolymph drop spreading, and even provide complete rebound when impacting on inclined surfaces.

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

NASA Astrophysics Data System (ADS)

Tarcza, Kenneth Robert

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

Technology development of fabrication techniques for advanced solar dynamic concentrators

NASA Technical Reports Server (NTRS)

Richter, Scott W.

1991-01-01

The objective of the advanced concentrator program is to develop the technology that will lead to lightweight, highly reflective, accurate, scaleable, and long lived space solar dynamic concentrators. The advanced concentrator program encompasses new and innovative concepts, fabrication techniques, materials selection, and simulated space environmental testing. Fabrication techniques include methods of fabricating the substrates and coating substrate surfaces to produce high quality optical surfaces, acceptable for further coating with vapor deposited optical films. The selected materials to obtain a high quality optical surface include microsheet glass and Eccocoat EP-3 epoxy, with DC-93-500 selected as a candidate silicone adhesive and levelizing layer. The following procedures are defined: cutting, cleaning, forming, and bonding microsheet glass. Procedures are also defined for surface cleaning, and EP-3 epoxy application. The results and analyses from atomic oxygen and thermal cycling tests are used to determine the effects of orbital conditions in a space environment.

Inevitable end-of-21st-century trends toward earlier surface runoff timing in California's Sierra Nevada Mountains

NASA Astrophysics Data System (ADS)

Schwartz, M. A.; Hall, A. D.; Sun, F.; Walton, D.; Berg, N.

2015-12-01

Hybrid dynamical-statistical downscaling is used to produce surface runoff timing projections for California's Sierra Nevada, a high-elevation mountain range with significant seasonal snow cover. First, future climate change projections (RCP8.5 forcing scenario, 2081-2100 period) from five CMIP5 global climate models (GCMs) are dynamically downscaled. These projections reveal that future warming leads to a shift toward earlier snowmelt and surface runoff timing throughout the Sierra Nevada region. Relationships between warming and surface runoff timing from the dynamical simulations are used to build a simple statistical model that mimics the dynamical model's projected surface runoff timing changes given GCM input or other statistically-downscaled input. This statistical model can be used to produce surface runoff timing projections for other GCMs, periods, and forcing scenarios to quantify ensemble-mean changes, uncertainty due to intermodel variability and consequences stemming from choice of forcing scenario. For all CMIP5 GCMs and forcing scenarios, significant trends toward earlier surface runoff timing occur at elevations below 2500m. Thus, we conclude that trends toward earlier surface runoff timing by the end-of-the-21st century are inevitable. The changes to surface runoff timing diagnosed in this study have implications for many dimensions of climate change, including impacts on surface hydrology, water resources, and ecosystems.

Generation of Dynamic Combinatorial Libraries Using Hydrazone‐Functionalized Surface Mimetics

PubMed Central

Hewitt, Sarah H.

2018-01-01

Dynamic combinatorial chemistry (DCC) represents an approach, whereby traditional supramolecular scaffolds used for protein surface recognition might be exploited to achieve selective high affinity target recognition. Synthesis, in situ screening and amplification under selection pressure allows the generation of ligands, which bear different moieties capable of making multivalent non‐covalent interactions with target proteins. Generic tetracarboxyphenyl porphyrin scaffolds bearing four hydrazide moieties have been used to form dynamic combinatorial libraries (DCLs) using aniline‐catalyzed reversible hydrazone exchange reactions, in 10 % DMSO, 5 mm NH4OAc, at pH 6.75. High resolution mass spectrometry (HRMS) was used to monitor library composition and establish conditions under which equilibria were established.

Potential energy surfaces and reaction dynamics of polyatomic molecules

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

Chang, Yan-Tyng

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

Transonic steady- and unsteady-pressure measurements on a high-aspect-ratio supercritical-wing model with oscillating control surfaces

NASA Technical Reports Server (NTRS)

Sandford, M. C.; Ricketts, R. H.; Cazier, F. W., Jr.

1980-01-01

A supercritical wing with an aspect ratio of 10.76 and with two trailing-edge oscillating control surfaces is described. The semispan wing is instrumented with 252 static orifices and 164 in situ dynamic-pressure gages for studying the effects of control-surface position and motion on steady- and unsteady-pressures at transonic speeds. Results from initial tests conducted in the Langley Transonic Dynamics Tunnel at two Reynolds numbers are presented in tabular form.

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

NASA Astrophysics Data System (ADS)

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

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

Real-time monitoring of laser welding of galvanized high strength steel in lap joint configuration

NASA Astrophysics Data System (ADS)

Kong, Fanrong; Ma, Junjie; Carlson, Blair; Kovacevic, Radovan

2012-10-01

Two different cases regarding the zinc coating at the lap joint faying surface are selected for studying the influence of zinc vapor on the keyhole dynamics of the weld pool and the final welding quality. One case has the zinc coating fully removed at the faying surface; while the other case retains the zinc coating on the faying surface. It is found that removal of the zinc coating at the faying surface produces a significantly better weld quality as exemplified by a lack of spatters whereas intense spatters are present when the zinc coating is present at the faying surface. Spectroscopy is used to detect the optical spectra emitted from a laser generated plasma plume during the laser welding of galvanized high strength DP980 steel in a lap-joint configuration. A correlation between the electron temperature and defects within the weld bead is identified by using the Boltzmann plot method. The laser weld pool keyhole dynamic behavior affected by a high-pressure zinc vapor generated at the faying surface of galvanized steel lap-joint is monitored in real-time by a high speed charge-coupled device (CCD) camera assisted with a green laser as an illumination source.

Dynamics of collision of a vortex ring and a planar surface

NASA Astrophysics Data System (ADS)

McErlean, Michael; Krane, Michael; Fontaine, Arnold

2009-11-01

The dynamics of the impact between a vortex ring and a planar surface orientated perpendicular to the direction of travel are presented. High Reynolds number vortex rings are injected into a quiescent tank of water using a piston-cylinder generator before colliding with a target at a long distance. Both the pressure at the stagnation point on the surface and the force imparted to the target by the ring impact are measured directly. The changes in both are related to the ring motion and deformation captured by high speed digital video, and DPIV measurements. These relations are used to develop a scaling law relation between impact force and vortex ring circulation, speed, and size.

Picosecond time scale dynamics of short pulse laser-driven shocks in tin

NASA Astrophysics Data System (ADS)

Grigsby, W.; Bowes, B. T.; Dalton, D. A.; Bernstein, A. C.; Bless, S.; Downer, M. C.; Taleff, E.; Colvin, J.; Ditmire, T.

2009-05-01

The dynamics of high strain rate shock waves driven by a subnanosecond laser pulse in thin tin slabs have been investigated. These shocks, with pressure up to 1 Mbar, have been diagnosed with an 800 nm wavelength ultrafast laser pulse in a pump-probe configuration, which measured reflectivity and two-dimensional interferometry of the expanding rear surface. Time-resolved rear surface expansion data suggest that we reached pressures necessary to shock melt tin upon compression. Reflectivity measurements, however, show an anomalously high drop in the tin reflectivity for free standing foils, which can be attributed to microparticle formation at the back surface when the laser-driven shock releases.

Surface evolution of perfluoropolyether film at high speed quasi-contact conditions

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

Chen, Yung-Kan, E-mail: fftransform@gmail.com, E-mail: ykchen@berkeley.edu; Bogy, David B.; Peng, Jih-Ping

2016-05-30

Nanoscale analysis characterized by microscopy with atomic resolution demand that the targeted surface remains nearly static. Therefore, the interaction between two fast moving surfaces requires a unique methodology to capture its dynamics when contacts are of nominal area on the order of 100 μm{sup 2} but only a few angstroms in depth. We present a contact study of the head-disk interface in hard disk drives, which consists of a disk surface coated with a molecularly thin perfluoropolyether lubricant and a slider surface moving slightly separated from it with a relative velocity of 20 m/s and with 10 nm spacing. By investigating the slidermore » dynamics and lubricant topography in-situ, we disclose that high-speed contact initiates when the slider shears the top surface of the lubricant. Such contact can pile up molecules a few angstroms high as “moguls” or annihilate existing ones through a 5–10 Å interference. The transitional spacing regime of mogul evolution is defined as “quasi-contact,” and it is the initial contact in the fast sliding interface.« less

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

Nonlinear dynamics in the perceptual grouping of connected surfaces.

PubMed

Hock, Howard S; Schöner, Gregor

2016-09-01

Evidence obtained using the dynamic grouping method has shown that the grouping of an object's connected surfaces has properties characteristic of a nonlinear dynamical system. When a surface's luminance changes, one of its boundaries is perceived moving across the surface. The direction of this dynamic grouping (DG) motion indicates which of two flanking surfaces has been grouped with the changing surface. A quantitative measure of overall grouping strength (affinity) for adjacent surfaces is provided by the frequency of DG motion perception in directions promoted by the grouping variables. It was found that: (1) variables affecting surface grouping for three-surface objects evolve over time, settling at stable levels within a single fixation, (2) how often DG motion is perceived when a surface's luminance is perturbed (changed) depends on the pre-perturbation affinity state of the surface grouping, (3) grouping variables promoting the same surface grouping combine cooperatively and nonlinearly (super-additively) in determining the surface grouping's affinity, (4) different DG motion directions during different trials indicate that surface grouping can be bistable, which implies that inhibitory interactions have stabilized one of two alternative surface groupings, and (5) when alternative surface groupings have identical affinity, stochastic fluctuations can break the symmetry and inhibitory interactions can then stabilize one of the surface groupings, providing affinity levels are not too high (which results in bidirectional DG motion). A surface-grouping network is proposed within which boundaries vary in salience. Low salience or suppressed boundaries instantiate surface grouping, and DG motion results from changes in boundary salience. Copyright © 2015 Elsevier Ltd. All rights reserved.

Do dynamic cement-on-cement knee spacers provide better function and activity during two-stage exchange?

PubMed

Jaekel, David J; Day, Judd S; Klein, Gregg R; Levine, Harlan; Parvizi, Javad; Kurtz, Steven M

2012-09-01

Implantation of an antibiotic bone cement spacer is used to treat infection of a TKA. Dynamic spacers fashioned with cement-on-cement articulating surfaces potentially facilitate patient mobility and reduce bone loss as compared with their static counterparts, while consisting of a biomaterial not traditionally used for load-bearing articulations. However, their direct impact on patient mobility and wear damage while implanted remains poorly understood. We characterized patient activity, surface damage, and porous structure of dynamic cement-on-cement spacers. We collected 22 dynamic and 14 static knee antibiotic cement spacers at revision surgeries at times ranging from 0.5 to 13 months from implantation. For these patients, we obtained demographic data and UCLA activity levels. We characterized surface damage using the Hood damage scoring method and used micro-CT analysis to observe the internal structure, cracking, and porosity of the cement. The average UCLA score was higher for patients with dynamic spacers than for patients with static spacers, with no differences in BMI or age. Burnishing was the only prevalent damage mode on all the bearing surfaces. Micro-CT analysis revealed the internal structure of the spacers was porous and highly inhomogeneous, including heterogeneous dispersion of radiopaque material and cavity defects. The average porosity was 8% (range, 1%-29%) and more than ½ of the spacers had pores greater than 1 mm in diameter. Our observations suggest dynamic, cement-on-cement spacers allow for increased patient activity without catastrophic failure. Despite the antibiotic loading and internal structural inhomogeneity, burnishing was the only prevalent damage mode that could be consistently classified with no evidence of fracture or delamination. The porous structure of the spacers varied highly across the surfaces without influencing the material failure.

Isotropic actomyosin dynamics promote organization of the apical cell cortex in epithelial cells.

PubMed

Klingner, Christoph; Cherian, Anoop V; Fels, Johannes; Diesinger, Philipp M; Aufschnaiter, Roland; Maghelli, Nicola; Keil, Thomas; Beck, Gisela; Tolić-Nørrelykke, Iva M; Bathe, Mark; Wedlich-Soldner, Roland

2014-10-13

Although cortical actin plays an important role in cellular mechanics and morphogenesis, there is surprisingly little information on cortex organization at the apical surface of cells. In this paper, we characterize organization and dynamics of microvilli (MV) and a previously unappreciated actomyosin network at the apical surface of Madin-Darby canine kidney cells. In contrast to short and static MV in confluent cells, the apical surfaces of nonconfluent epithelial cells (ECs) form highly dynamic protrusions, which are often oriented along the plane of the membrane. These dynamic MV exhibit complex and spatially correlated reorganization, which is dependent on myosin II activity. Surprisingly, myosin II is organized into an extensive network of filaments spanning the entire apical membrane in nonconfluent ECs. Dynamic MV, myosin filaments, and their associated actin filaments form an interconnected, prestressed network. Interestingly, this network regulates lateral mobility of apical membrane probes such as integrins or epidermal growth factor receptors, suggesting that coordinated actomyosin dynamics contributes to apical cell membrane organization. © 2014 Klingner et al.

Near-infrared light–responsive dynamic wrinkle patterns

PubMed Central

Hou, Honghao; Yin, Jie

2018-01-01

Dynamic micro/nanopatterns provide an effective approach for on-demand tuning of surface properties to realize a smart surface. We report a simple yet versatile strategy for the fabrication of near-infrared (NIR) light–responsive dynamic wrinkles by using a carbon nanotube (CNT)–containing poly(dimethylsiloxane) (PDMS) elastomer as the substrate for the bilayer systems, with various functional polymers serving as the top stiff layers. The high photon-to-thermal energy conversion of CNT leads to the NIR-controlled thermal expansion of the elastic CNT-PDMS substrate, resulting in dynamic regulation of the applied strain (ε) of the bilayer system by the NIR on/off cycle to obtain a reversible wrinkle pattern. The switchable surface topological structures can transfer between the wrinkled state and the wrinkle-free state within tens of seconds via NIR irradiation. As a proof-of-concept application, this type of NIR-driven dynamic wrinkle pattern was used in smart displays, dynamic gratings, and light control electronics. PMID:29740615

Measurements of unsteady pressure and structural response for an elastic supercritical wing

NASA Technical Reports Server (NTRS)

Eckstrom, Clinton V.; Seidel, David A.; Sandford, Maynard C.

1994-01-01

Results are presented which define unsteady flow conditions associated with the high-dynamic structural response of a high-aspect-ratio, elastic, supercritical wing at transonic speeds. The wing was tested in the Langley Transonic Dynamics Tunnel with a heavy gas test medium. The supercritical wing, designed for a cruise lift coefficient of 0.53 at a Mach number of 0.80, experienced the high-dynamic structural response from Mach 0.90 to 0.94 with the maximum response occurring at about Mach 0.92. At the maximum response conditions of the wing, the forcing function appears to be the oscillatory chordwise movement of strong shocks located on the upper and lower surfaces of the wing in conjunction with the flow separation on the lower surface of the wing in the trailing-edge cove region.

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

NASA Astrophysics Data System (ADS)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

Interfacial gauge methods for incompressible fluid dynamics

PubMed Central

Saye, Robert

2016-01-01

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of “gauge freedom” to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work, high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena. PMID:27386567

Surface dynamics of micellar diblock copolymer films

NASA Astrophysics Data System (ADS)

Song, Sanghoon; Cha, Wonsuk; Kim, Hyunjung; Jiang, Zhang; Narayanan, Suresh

2011-03-01

We studied the structure and surface dynamics of poly(styrene)-b-poly(dimethylsiloxane) (PS-b-PDMS) diblock copolymer films with micellar PDMS surrounded by PS shells. By `in-situ' high resolution synchrotron x-ray reflectivity and diffuse scattering, we obtained exact thickness, electron density and surface tension. A segregation layer near the top surface was appeared with increasing temperature Surface dynamics were measured as a function of film thickness and temperature by x-ray photon correlation spectroscopy. The best fit to relaxation time constants as a function of in-plane wavevectors were analyzed with a theory based on capillary waves with hydrodynamics with bilayer model Finally the viscosities for the top segregated layer as well as for the bottom layer are obtained at given temperatures This work was supported by National Research Foundation of Korea (R15-2008-006-01001-0), Seoul Research and Business Development Program (10816), and Sogang University Research Grant (2010).

Surface effects on dynamic stability and loading during outdoor running using wireless trunk accelerometry.

PubMed

Schütte, Kurt H; Aeles, Jeroen; De Beéck, Tim Op; van der Zwaard, Babette C; Venter, Rachel; Vanwanseele, Benedicte

2016-07-01

Despite frequently declared benefits of using wireless accelerometers to assess running gait in real-world settings, available research is limited. The purpose of this study was to investigate outdoor surface effects on dynamic stability and dynamic loading during running using tri-axial trunk accelerometry. Twenty eight runners (11 highly-trained, 17 recreational) performed outdoor running on three outdoor training surfaces (concrete road, synthetic track and woodchip trail) at self-selected comfortable running speeds. Dynamic postural stability (tri-axial acceleration root mean square (RMS) ratio, step and stride regularity, sample entropy), dynamic loading (impact and breaking peak amplitudes and median frequencies), as well as spatio-temporal running gait measures (step frequency, stance time) were derived from trunk accelerations sampled at 1024Hz. Results from generalized estimating equations (GEE) analysis showed that compared to concrete road, woodchip trail had several significant effects on dynamic stability (higher AP ratio of acceleration RMS, lower ML inter-step and inter-stride regularity), on dynamic loading (downward shift in vertical and AP median frequency), and reduced step frequency (p<0.05). Surface effects were unaffected when both running level and running speed were added as potential confounders. Results suggest that woodchip trails disrupt aspects of dynamic stability and loading that are detectable using a single trunk accelerometer. These results provide further insight into how runners adapt their locomotor biomechanics on outdoor surfaces in situ. Copyright © 2016 Elsevier B.V. All rights reserved.

New Insights on Insect's Silent Flight. Part I: Vortex Dynamics and Wing Morphing

NASA Astrophysics Data System (ADS)

Ren, Yan; Liu, Geng; Dong, Haibo; Geng, Biao; Zheng, Xudong; Xue, Qian

2016-11-01

Insects are capable of conducting silent flights. This is attributed to its specially designed wing material properties for the control of vibration and surface morphing during the flapping flight. In current work, we focus on the roles of dynamic wing morphing on the unsteady vortex dynamics of a cicada in steady flight. A 3D image-based surface reconstruction method is used to obtain kinematical and morphological data of cicada wings from high-quality high-speed videos. The observed morphing wing kinematics is highly complex and a singular value decomposition method is used to decompose the wing motion to several dominant modes with distinct motion features. A high-fidelity immersed-boundary-based flow solver is then used to study the vortex dynamics in details. The results show that vortical structures closely relate to the morphing mode, which plays key role in the development and attachment of leading-edge vortex (LEV), thus helps the silent flapping of the cicada wings. This work is supported by AFOSR FA9550-12-1-0071 and NSF CBET-1313217.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part I

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part II

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Surface State-Dominated Photoconduction and THz Generation in Topological Bi2Te2Se Nanowires

PubMed Central

2017-01-01

Topological insulators constitute a fascinating class of quantum materials with nontrivial, gapless states on the surface and insulating bulk states. By revealing the optoelectronic dynamics in the whole range from femto- to microseconds, we demonstrate that the long surface lifetime of Bi2Te2Se nanowires allows us to access the surface states by a pulsed photoconduction scheme and that there is a prevailing bolometric response of the surface states. The interplay of the surface and bulk states dynamics on the different time scales gives rise to a surprising physical property of Bi2Te2Se nanowires: their pulsed photoconductance changes polarity as a function of laser power. Moreover, we show that single Bi2Te2Se nanowires can be used as THz generators for on-chip high-frequency circuits at room temperature. Our results open the avenue for single Bi2Te2Se nanowires as active modules in optoelectronic high-frequency and THz circuits. PMID:28081604

Future Opportunities for Dynamic Power Systems for NASA Missions

NASA Technical Reports Server (NTRS)

Shaltens, Richard K.

2007-01-01

Dynamic power systems have the potential to be used in Radioisotope Power Systems (RPS) and Fission Surface Power Systems (FSPS) to provide high efficiency, reliable and long life power generation for future NASA applications and missions. Dynamic power systems have been developed by NASA over the decades, but none have ever operated in space. Advanced Stirling convertors are currently being developed at the NASA Glenn Research Center. These systems have demonstrated high efficiencies to enable high system specific power (>8 W(sub e)/kg) for 100 W(sub e) class Advanced Stirling Radioisotope Generators (ASRG). The ASRG could enable significant extended and expanded operation on the Mars surface and on long-life deep space missions. In addition, advanced high power Stirling convertors (>150 W(sub e)/kg), for use with surface fission power systems, could provide power ranging from 30 to 50 kWe, and would be enabling for both lunar and Mars exploration. This paper will discuss the status of various energy conversion options currently under development by NASA Glenn for the Radioisotope Power System Program for NASA s Science Mission Directorate (SMD) and the Prometheus Program for the Exploration Systems Mission Directorate (ESMD).

Fabrication of Slippery Lubricant-Infused Porous Surface with High Underwater Transparency for the Control of Marine Biofouling.

PubMed

Wang, Peng; Zhang, Dun; Sun, Shimei; Li, Tianping; Sun, Yan

2017-01-11

Marine optical instruments are bearing serious biofouling problem, which affects the accuracy of data collected. To solve the biofouling problem of marine optical instruments, a novel instance of slippery lubricant-infused porous surface (SLIPS) with high underwater-transparency was designed over glass substrate via infusing lubricant into its porous microstructure fabricated with hydrothermal method. The advantage of SLIPS as antibiofouling strategy to marine optical instruments was proven by comparing its underwater optical and antibiofouling performances with three kinds of samples (hydrophilic glass sample, textured hydrophilic glass sample, and superhydrophobic glass sample). The modification of SLIPS enhances the underwater-transparency of glass sample within the wavelength of 500-800 nm, for the infusion of lubricant with lower refractive index than glass substrate. In contrast with hydrophilic surface, textured hydrophilic surface and superhydrophobic surface, SLIPS can significantly inhibit bacterial and algal settlements, thereby maintaining high underwater-transparency in both dynamic and static seawater. The inhibition of bacterial and algal settlements over SLIPS results from its liquid-like property. The contact angle hysteresis of water over SLIPS increases with immersion time in seawater under different conditions (static, dynamic, and vibration conditions). Both dynamic and vibration conditions accelerate the failure of SLIPS exposed in seawater. This research provides valuable information for solving biofouling problem of marine optical instruments with SLIPS.

Dynamic properties of a dirt and a synthetic equine racetrack surface measured by a track-testing device.

PubMed

Setterbo, J J; Fyhrie, P B; Hubbard, M; Upadhyaya, S K; Stover, S M

2013-01-01

Racetrack surface is a risk factor for Thoroughbred racehorse injury and death that can be engineered and managed. To investigate the relationship between surface and injury, the mechanical behaviour of dirt and synthetic track surfaces must be quantified. To compare dynamic properties of a dirt and a synthetic surface in situ using a track-testing device designed to simulate equine hoof impact; and to determine the effects of impact velocity, impact angle and repeated impact on dynamic surface behaviour. A track-testing device measured force and displacement during impact into a dirt and a synthetic surface at 3 impact velocities (1.91, 2.30, 2.63 m/s), 2 impact angles (0°, 20° from vertical), and 2 consecutive impacts (initial, repeat). Surfaces were measured at 3 locations/day for 3 days. The effects of surface type, impact velocity, impact angle and impact number on dynamic surface properties were assessed using analysis of variance. Synthetic surface maximum forces, load rates and stiffnesses were 37-67% of dirt surface values. Surfaces were less stiff with lower impact velocities, angled impacts and initial impacts. The magnitude of differences between dirt and synthetic surfaces increased for repeat impacts and higher impact velocities. The synthetic surface was generally softer than the dirt surface. Greatly increased hardness for repeat impacts corroborates the importance of maintenance. Results at different impact velocities suggest that surface differences will persist at higher impact velocities. For both surfaces it is clearly important to prevent horse exposure to precompacted surfaces, particularly during high-speed training when the surface has already been trampled. These data should be useful in coordinating racetrack surface management with racehorse training to prevent injuries. © 2012 EVJ Ltd.

Drop impact on spherical soft surfaces

NASA Astrophysics Data System (ADS)

Chen, Simeng; Bertola, Volfango

2017-08-01

The impact of water drops on spherical soft surfaces is investigated experimentally through high-speed imaging. The effect of a convex compliant surface on the dynamics of impacting drops is relevant to various applications, such as 3D ink-jet printing, where drops of fresh material impact on partially cured soft substrates with arbitrary shape. Several quantities which characterize the morphology of impacting drops are measured through image-processing, including the maximum and minimum spreading angles, length of the wetted curve, and dynamic contact angle. In particular, the dynamic contact angle is measured using a novel digital image-processing scheme based on a goniometric mask, which does not require edge fitting. It is shown that the surface with a higher curvature enhances the retraction of the spreading drop; this effect may be due to the difference of energy dissipation induced by the curvature of the surface. In addition, the impact parameters (elastic modulus, diameter ratio, and Weber number) are observed to significantly affect the dynamic contact angle during impact. A quantitative estimation of the deformation energy shows that it is significantly smaller than viscous dissipation.

Investigation and suppression of high dynamic response encountered on an elastic supercritical wing

NASA Technical Reports Server (NTRS)

Seidel, David A.; Adams, William M., Jr.; Eckstrom, Clinton V.; Sandford, Maynard C.

1989-01-01

The DAST Aeroelastic Research Wing had been previously in the NASA Langley TDT and an unusual instability boundary was predicted based upon supercritical response data. Contrary to the predictions, no instability was found during the present test. Instead a region of high dynamic wing response was observed which reached a maximum value between Mach numbers 0.92 and 0.93. The amplitude of the dynamic response increased directly with dynamic pressure. The reponse appears to be related to chordwise shock movement in conjunction with flow separation and reattachment on the upper and lower wing surfaces. The onset of flow separation coincided with the occurrence of strong shocks on a surface. A controller was designed to suppress the wing response. The control law attenuated the response as compared with the uncontrolled case and added a small but significant amount of damping for the lower density condition.

Stereodynamics in state-resolved scattering at the gas–liquid interface

PubMed Central

Perkins, Bradford G.; Nesbitt, David J.

2008-01-01

Stereodynamics at the gas–liquid interface provides insight into the important physical interactions that directly influence heterogeneous chemistry at the surface and within the bulk liquid. We investigate molecular beam scattering of CO2 from a liquid perfluoropolyether (PFPE) surface in vacuum [incident energy Einc = 10.6(8) kcal/mol, incident angle θinc = 60°] to specifically reveal rotational angular-momentum directions for scattered molecules. Experimentally, internal quantum state populations and MJ distributions are probed by high-resolution polarization-modulated infrared laser spectroscopy. Analysis of J-state populations reveals dual-channel scattering dynamics characterized by a two-temperature Boltzmann distribution for trapping–desorption and impulsive scattering. In addition, molecular dynamics simulations of CO2 + fluorinated self-assembled monolayers have been used to model CO2 + PFPE dynamics. Experimental results and molecular dynamics simulations reveal highly oriented CO2 distributions that preferentially scatter with “top spin” as a strongly increasing function of J state. PMID:18678907

Dynamical importance of van der Waals saddle and excited potential surface in C(1D)+D2 complex-forming reaction

PubMed Central

Shen, Zhitao; Ma, Haitao; Zhang, Chunfang; Fu, Mingkai; Wu, Yanan; Bian, Wensheng; Cao, Jianwei

2017-01-01

Encouraged by recent advances in revealing significant effects of van der Waals wells on reaction dynamics, many people assume that van der Waals wells are inevitable in chemical reactions. Here we find that the weak long-range forces cause van der Waals saddles in the prototypical C(1D)+D2 complex-forming reaction that have very different dynamical effects from van der Waals wells at low collision energies. Accurate quantum dynamics calculations on our highly accurate ab initio potential energy surfaces with van der Waals saddles yield cross-sections in close agreement with crossed-beam experiments, whereas the same calculations on an earlier surface with van der Waals wells produce much smaller cross-sections at low energies. Further trajectory calculations reveal that the van der Waals saddle leads to a torsion then sideways insertion reaction mechanism, whereas the well suppresses reactivity. Quantum diffraction oscillations and sharp resonances are also predicted based on our ground- and excited-state potential energy surfaces. PMID:28094253

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

PubMed

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

2018-05-10

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

PREFACE: Dynamics of wetting Dynamics of wetting

NASA Astrophysics Data System (ADS)

Grest, Gary S.; Oshanin, Gleb; Webb, Edmund B., III

2009-11-01

Capillary phenomena associated with fluids wetting other condensed matter phases have drawn great scientific interest for hundreds of years; consider the recent bicentennial celebration of Thomas Young's paper on equilibrium contact angles, describing the geometric shape assumed near a three phase contact line in terms of the relevant surface energies of the constituent phases [1]. Indeed, nearly a century has passed since the seminal papers of Lucas and Washburn, describing dynamics of capillary imbibition [2, 3]. While it is generally appreciated that dynamics of fluid wetting processes are determined by the degree to which a system is out of capillary equilibrium, myriad complications exist that challenge the fundamental understanding of dynamic capillary phenomena. The topic has gathered much interest from recent Nobel laureate Pierre-Gilles de Gennes, who provided a seminal review of relevant dissipation mechanisms for fluid droplets spreading on solid surfaces [4] Although much about the dynamics of wetting has been revealed, much remains to be learned and intrinsic technological and fundamental interest in the topic drives continuing high levels of research activity. This is enabled partly by improved experimental capabilities for resolving wetting processes at increasingly finer temporal, spatial, and chemical resolution. Additionally, dynamic wetting research advances via higher fidelity computational modeling capabilities, which drive more highly refined theory development. The significance of this topic both fundamentally and technologically has resulted in a number of reviews of research activity in wetting dynamics. One recent example addresses the evaluation of existing wetting dynamics theories from an experimentalist's perspective [5]. A Current Opinion issue was recently dedicated to high temperature capillarity, including dynamics of high temperature spreading [6]. New educational tools have recently emerged for providing instruction in wetting dynamics and the broader field of fluid dynamics [7-9]. Such an active field requires an occasional collective examination of current research to highlight both recent successes and remaining challenges. Herein, we have collected a range of articles to illustrate the broad nature of research associated with understanding dynamics of moving condensed matter three phase contact lines. Despite the breadth of topics examined, certain unifying themes emerge. The role of the substrate surface is critical in determining kinetics of wetting; this is evidenced by the attention given to this in articles herein. McHale et al investigate the role of surface topography on wetting kinetics and how its effect can be incorporated in existing theories describing contact line dynamics. Moosavi et al examine surface topography effects via a mesoscopic hydrodynamics approach. The capillary driven motion of fluid through structures on a surface bears tremendous importance for microfluidics studies and the emerging field of nanofluidics. Blow et al examine this phenomena for liquid imbibition into a geometric array of structures on a solid surface, while Shen et al analyze the effects of surface temperature during boiling and non-boiling conditionson droplet impingement dynamics. Finally, Pesika et al discover a wonderful world of smart surfaces, like gecko adhesion pads. A number of papers utilize computational modeling to explore phenomena underlying wetting dynamics and to consider relevant mechanisms in terms of existing theory for contact line dynamics. Winter et al utilize Monte Carlo simulation techniques and thermodynamic integration methods to test classical theory describing heterogeneous nucleation at a wall near a wetting transition. Qian et al briefly review the Onsager principle of minimum energy dissipation underlying many descriptions of dissipative systems; they then provide a variational approach description of hydrodynamics of moving contact lines and demonstrate the validity of their continuum model via comparison with molecular dynamics simulations.Bertrand et al use large scale molecular dynamics simulations to examine fundamental questions about wetting dynamics and how they depend upon interactions between a liquid drop and solid substrate; in particular, atomic scale mechanisms directly associated with the molecular kinetic theory of wetting are observed and quantified. Sun et al explore, by molecular dynamics simulations, atomistic mechanisms of high temperature contact line advancement for a rapidly spreading liquid droplet. Starov et al discuss general aspects of surface forces and wetting phenomena, while Courbin et al present anoverview of diverse dynamical processes ranging from inertial spreading to viscous imbibition. Mukhopadhyay et al examine the effect of Marangoni and centrifugal forces on the wetting dynamics of thin liquid films and drops. Willis et al analyze an enhanced droplet spreading due to thermal fluctuations. How wetting and contact line dynamics depend upon the complexity of the structure in the liquid is interesting both academically and technologically; Delabre et al illustrate this with a study of wetting of liquid crystals and the role of molecular scale organization. In addition, Mechkov et al explore this realm by studying post-Tanner spreading for nematic droplets and, in general, post-Tanner spreading of liquid droplets governed by the contact line-tension effects. Liang et al focus on spreading dynamics of power-law fluid droplets, while Wei et al discuss dynamics of wetting in viscous Newtonian and non-Newtonian fluids. Yin et al discuss an important issue of reactive wetting in metal-metal systems. We hope that the articles gathered here will permit readers to understand the wide range of condensed matter systems impacted by wetting kinetics and the many complicating factors that emerge in describing contact line dynamics for realistic materials. We wish to thank all the contributing authors for their effort and support of our endeavour. References [1] Young T 1805 Phil. Trans. R. Soc. A 95 65 [2] Lucas R 1918 Kolloidn. Zh. 23 15 [3] Washburn E W 1921 Phys. Rev. 17 273 [4] de Gennes P G 1985 Rev. Mod. Phys. 57 827 [5] Ralston J, Popescu M and Sedev R 2008 Annu. Rev. Mater. Res.38 23 [6] High Temperature Capillarity Focus Issue 2005 Current Opinion in Solid State and Materials Science 9 149-254 [7] Starov V M, Velarde M G and Radke C J 2007 Wetting and Spreading Dynamics (Boca Raton, FL: CRC Press) [8] Golub J 2008 Phys. Today 61 8 [9] Homsby G M (ed) 2008 Multimedia Fluid Mechanics 2nd edn (New York: Cambridge University Press) (Also see www.efluids.com)

Real-time optical measurement of the dynamic body surface for use in guided radiotherapy

NASA Astrophysics Data System (ADS)

Price, G. J.; Parkhurst, J. M.; Sharrock, P. J.; Moore, C. J.

2012-01-01

Optical measurements are increasingly used in radiotherapy. In this paper we present, in detail, the design and implementation of a multi-channel optical system optimized for fast, high spatial resolution, dynamic body surface measurement in guided therapy. We include all algorithmic modifications and calibration procedures required to create a robust, practical system for clinical use. Comprehensive static and dynamic phantom validation measurements in the radiotherapy treatment room show: conformance with simultaneously measured cone beam CT data to within 1 mm over 62% ± 8% of the surface and 2 mm over 90% ± 3%; agreement with the measured radius of a precision geometrical phantom to within 1 mm; and true real-time performance with image capture through to surface display at 23 Hz. An example patient dataset is additionally included, indicating similar performance in the clinic.

Mutual promotion of electrochemical-localized surface plasmon resonance on nanochip for sensitive sialic acid detection.

PubMed

Li, Shuang; Liu, Jinglong; Lu, Yanli; Zhu, Long; Li, Candong; Hu, Lijiang; Li, Jun; Jiang, Jing; Low, Szeshin; Liu, Qingjun

2018-06-01

Localized surface plasmon resonance (LSPR) induced charge separation were concentrated on the metal nanoparticles surface, which made it sensitive to the surface refractive index changes during optical sensing. Similarly, electrochemical detection was based on the electron transformation on the electrode surface. Herein, we fabricated a nanochip by decorating a nanocone-array substrate with gold nanoparticles and silver nanoparticles for dynamic electro-optical spectroscopy. Mercaptophenyl boronic acid (MPBA) was immobilized firmly on the nanochip by the metal-S bond for sensitive sialic acid sensing. Owing to the high stability of gold nanoparticles and the high sensitivity of silver nanoparticles, the nanochip showed good performance in LSPR detection with rich and high responses. Besides, the nanochip also showed sensitive electrical signals during electrochemical detection due to the excitation of the energetic charges from the nanoparticles surface to the reaction system. The dynamic electro-optical spectroscopy was based on a unique combination of LSPR and linear sweep voltammetry (LSV). On the one hand, electrochemical signals activated the electrons on the nanochip to promote the propagation and resonance of surface plasmon. On the other hand, LSPR concentrated the electrons on the nanochip surface, which made the electrons easily driven to enhance the current in electrochemical detection. Results showed that mutual promotion of electrochemical-LSPR on nanochip covered a linear dynamic range from 0.05 mM to 5 mM on selective sialic acid detection with a low detection limit of 17 μM. The synchronous amplification of the electro-optical response during electrochemical-LSPR, opened up a new perspective for efficient and sensitive biochemical detection. Copyright © 2018 Elsevier B.V. All rights reserved.

Single-bubble dynamics in pool boiling of one-component fluids.

PubMed

Xu, Xinpeng; Qian, Tiezheng

2014-06-01

We numerically investigate the pool boiling of one-component fluids with a focus on the effects of surface wettability on the single-bubble dynamics. We employed the dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007)], a diffuse-interface model for liquid-vapor flows involving liquid-vapor transition in nonuniform temperature fields. We first perform simulations for bubbles on homogeneous surfaces. We find that an increase in either the contact angle or the surface superheating can enhance the bubble spreading over the heating surface and increase the bubble departure diameter as well and therefore facilitate the transition into film boiling. We then examine the dynamics of bubbles on patterned surfaces, which incorporate the advantages of both hydrophobic and hydrophilic surfaces. The central hydrophobic region increases the thermodynamic probability of bubble nucleation while the surrounding hydrophilic region hinders the continuous bubble spreading by pinning the contact line at the hydrophobic-hydrophilic intersection. This leads to a small bubble departure diameter and therefore prevents the transition from nucleate boiling into film boiling. With the bubble nucleation probability increased and the bubble departure facilitated, the efficiency of heat transfer on such patterned surfaces is highly enhanced, as observed experimentally [Int. J. Heat Mass Transfer 57, 733 (2013)]. In addition, the stick-slip motion of contact line on patterned surfaces is demonstrated in one-component fluids, with the effect weakened by surface superheating.

Dynamic Impacts of Water Droplets onto Icephobic Soft Surfaces at High Weber Numbers

NASA Astrophysics Data System (ADS)

Ma, Liqun; Liu, Yang; Hu, Hui; Wang, Wei; Kota, Arun

2017-11-01

An experimental investigation was performed to examine the effects of the stiffness of icephobic soft PDMS materials on the impact dynamics of water drops at high weber numbers pertinent to aircraft icing phenomena. The experimental study was performed in the Icing Research Tunnel available at Iowa State University (ISU-IRT). During the experiments, both the shear modulus of the soft PDMS surface and the Weber numbers of the impinging water droplets are controlled for the comparative study. While the shear modulus of the soft PDMS surface was changed by tuning the recipes to make the PDMS materials, the Weber number of the impinging water droplets was altered by adjusting the airflow speed in the wind tunnel. A suite of advanced flow diagnostic techniques, which include high-speed photographic imaging, digital image projection (DIP), and infrared (IR) imaging thermometry, were used to quantify the transient behavior of water droplet impingement, unsteady heat transfer and dynamic ice accreting process over the icephobic soft airfoil surfaces. The findings derived from the icing physics studies can be used to improve current icing accretion models for more accurate prediction of ice formation and accretion on aircraft wings and to develop effective anti-/deicing strategies for safer and more efficient operation of aircraft in cold weather.

Influence of Substrate Bonding and Surface Morphology on Dynamic Organic Layer Growth: Perylenetetracarboxylic Dianhydride on Au(111).

PubMed

Schmidt, Thomas; Marchetto, Helder; Groh, Ullrich; Fink, Rainer H; Freund, Hans-Joachim; Umbach, Eberhard

2018-05-15

We investigated the dynamics of the initial growth of the first epitaxial layers of perylenetetracarboxylic dianhydride (PTCDA) on the Au(111) surface with high lateral resolution using the aberration-corrected spectro-microscope SMART. With this instrument, we could simultaneously study the different adsorption behaviors and layer growth on various surface areas consisting of either a distribution of flat (111) terraces, separated by single atomic steps ("ideal surface"), or on areas with a high density of step bunches and defects ("realistic surface"). The combined use of photoemission electron microscopy, low-energy electron microscopy, and μ-spot X-ray absorption provided a wealth of new information, showing that the growth of the archetype molecule PTCDA not only has similarities but also has significant differences when comparing Au(111) and Ag(111) substrate surfaces. For instance, under otherwise identical preparation conditions, we observed different growth mechanisms on different surface regions, depending on the density of step bunches. In addition, we studied the spatially resolved desorption behavior which also depends on the substrate morphology.

The interface of SrTiO3 and H2O from density functional theory molecular dynamics

PubMed Central

Spijker, P.; Foster, A. S.

2016-01-01

We use dispersion-corrected density functional theory molecular dynamics simulations to predict the ionic, electronic and vibrational properties of the SrTiO3/H2O solid–liquid interface. Approximately 50% of surface oxygens on the planar SrO termination are hydroxylated at all studied levels of water coverage, the corresponding number being 15% for the planar TiO2 termination and 5% on the stepped TiO2-terminated surface. The lateral ordering of the hydration structure is largely controlled by covalent-like surface cation to H2O bonding and surface corrugation. We find a featureless electronic density of states in and around the band gap energy region at the solid–liquid interface. The vibrational spectrum indicates redshifting of the O–H stretching band due to surface-to-liquid hydrogen bonding and blueshifting due to high-frequency stretching vibrations of OH fragments within the liquid, as well as strong suppression of the OH stretching band on the stepped surface. We find highly varying rates of proton transfer above different SrTiO3 surfaces, owing to differences in hydrogen bond strength and the degree of dissociation of incident water. Trends in proton dynamics and the mode of H2O adsorption among studied surfaces can be explained by the differential ionicity of the Ti–O and Sr–O bonds in the SrTiO3 crystal. PMID:27713660

High-Frequency Electron Paramagnetic Resonance Spectroscopy of Nitroxide-Functionalized Nanodiamonds in Aqueous Solution.

PubMed

Akiel, R D; Stepanov, V; Takahashi, S

2017-06-01

Nanodiamond (ND) is an attractive class of nanomaterial for fluorescent labeling, magnetic sensing of biological molecules, and targeted drug delivery. Many of those applications require tethering of target biological molecules on the ND surface. Even though many approaches have been developed to attach macromolecules to the ND surface, it remains challenging to characterize dynamics of tethered molecule. Here, we show high-frequency electron paramagnetic resonance (HF EPR) spectroscopy of nitroxide-functionalized NDs. Nitroxide radical is a commonly used spin label to investigate dynamics of biological molecules. In the investigation, we developed a sample holder to overcome water absorption of HF microwave. Then, we demonstrated HF EPR spectroscopy of nitroxide-functionalized NDs in aqueous solution and showed clear spectral distinction of ND and nitroxide EPR signals. Moreover, through EPR spectral analysis, we investigate dynamics of nitroxide radicals on the ND surface. The demonstration sheds light on the use of HF EPR spectroscopy to investigate biological molecule-functionalized nanoparticles.

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

PubMed

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

2017-01-01

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

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

PubMed Central

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

2017-01-01

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

Integrating dynamic stereo-radiography and surface-based motion data for subject-specific musculoskeletal dynamic modeling.

PubMed

Zheng, Liying; Li, Kang; Shetye, Snehal; Zhang, Xudong

2014-09-22

This manuscript presents a new subject-specific musculoskeletal dynamic modeling approach that integrates high-accuracy dynamic stereo-radiography (DSX) joint kinematics and surface-based full-body motion data. We illustrate this approach by building a model in OpenSim for a patient who participated in a meniscus transplantation efficacy study, incorporating DSX data of the tibiofemoral joint kinematics. We compared this DSX-incorporated (DSXI) model to a default OpenSim model built using surface-measured data alone. The architectures and parameters of the two models were identical, while the differences in (time-averaged) tibiofemoral kinematics were of the order of magnitude of 10° in rotation and 10mm in translation. Model-predicted tibiofemoral compressive forces and knee muscle activations were compared against literature data acquired from instrumented total knee replacement components (Fregly et al., 2012) and the patient's EMG recording. The comparison demonstrated that the incorporation of DSX data improves the veracity of musculoskeletal dynamic modeling. Copyright © 2014 Elsevier Ltd. All rights reserved.

Integrating dynamic stereo-radiography and surface-based motion data for subject-specific musculoskeletal dynamic modeling

PubMed Central

Zheng, Liying; Li, Kang; Shetye, Snehal; Zhang, Xudong

2014-01-01

This paper presents a new subject-specific musculoskeletal dynamic modeling approach that integrates high-accuracy dynamic stereo-radiography (DSX) joint kinematics and surface-based full-body motion data. We illustrate this approach by building a model in OpenSim for a patient who participated in a meniscus transplantation efficacy study, incorporating DSX data of the tibiofemoral joint kinematics. We compared this DSX-incorporated (DSXI) model to a default OpenSim model built using surface-measured data alone. The architectures and parameters of the two models were identical, while the differences in (time-averaged) tibiofemoral kinematics were of the order of magnitude of 10° in rotation and 10 mm in translation. Model-predicted tibiofemoral compressive forces and knee muscle activations were compared against literature data acquired from instrumented total knee replacement components (Fregly et al., 2012) and the patient's EMG recording. The comparison demonstrated that the incorporation of DSX data improves the veracity of musculoskeletal dynamic modeling. PMID:25169658

Early Spring Post-Fire Snow Albedo Dynamics in High Latitude Boreal Forests Using Landsat-8 OLI Data

NASA Technical Reports Server (NTRS)

Wang, Zhuosen; Erb, Angela M.; Schaaf, Crystal B.; Sun, Qingsong; Liu, Yan; Yang, Yun; Shuai, Yanmin; Casey, Kimberly A.; Roman, Miguel O.

2016-01-01

Taking advantage of the improved radiometric resolution of Landsat-8 OLI which, unlike previous Landsat sensors, does not saturate over snow, the progress of fire recovery progress at the landscape scale (less than 100 m) is examined. High quality Landsat-8 albedo retrievals can now capture the true reflective and layered character of snow cover over a full range of land surface conditions and vegetation densities. This new capability particularly improves the assessment of post-fire vegetation dynamics across low- to high-burn severity gradients in Arctic and boreal regions in the early spring, when the albedos during recovery show the greatest variation. We use 30 m resolution Landsat-8 surface reflectances with concurrent coarser resolution (500 m) MODIS high quality full inversion surface Bidirectional Reflectance Distribution Functions (BRDF) products to produce higher resolution values of surface albedo. The high resolution full expression shortwave blue sky albedo product performs well with an overall RMSE of 0.0267 between tower and satellite measures under both snow-free and snow-covered conditions. While the importance of post-fire albedo recovery can be discerned from the MODIS albedo product at regional and global scales, our study addresses the particular importance of early spring post-fire albedo recovery at the landscape scale by considering the significant spatial heterogeneity of burn severity, and the impact of snow on the early spring albedo of various vegetation recovery types. We found that variations in early spring albedo within a single MODIS gridded pixel can be larger than 0.6. Since the frequency and severity of wildfires in Arctic and boreal systems is expected to increase in the coming decades, the dynamics of albedo in response to these rapid surface changes will increasingly impact the energy balance and contribute to other climate processes and physical feedback mechanisms. Surface radiation products derived from Landsat-8 data will thus play an important role in characterizing the carbon cycle and ecosystem processes of high latitude systems.

Early spring post-fire snow albedo dynamics in high latitude boreal forests using Landsat-8 OLI data

PubMed Central

Wang, Zhuosen; Erb, Angela M.; Schaaf, Crystal B.; Sun, Qingsong; Liu, Yan; Yang, Yun; Shuai, Yanmin; Casey, Kimberly A.; Román, Miguel O.

2018-01-01

Taking advantage of the improved radiometric resolution of Landsat-8 OLI which, unlike previous Landsat sensors, does not saturate over snow, the progress of fire recovery progress at the landscape scale (< 100m) is examined. High quality Landsat-8 albedo retrievals can now capture the true reflective and layered character of snow cover over a full range of land surface conditions and vegetation densities. This new capability particularly improves the assessment of post-fire vegetation dynamics across low- to high- burn severity gradients in Arctic and boreal regions in the early spring, when the albedos during recovery show the greatest variation. We use 30 m resolution Landsat-8 surface reflectances with concurrent coarser resolution (500m) MODIS high quality full inversion surface Bidirectional Reflectance Distribution Functions (BRDF) products to produce higher resolution values of surface albedo. The high resolution full expression shortwave blue sky albedo product performs well with an overall RMSE of 0.0267 between tower and satellite measures under both snow-free and snow-covered conditions. While the importance of post-fire albedo recovery can be discerned from the MODIS albedo product at regional and global scales, our study addresses the particular importance of early spring post-fire albedo recovery at the landscape scale by considering the significant spatial heterogeneity of burn severity, and the impact of snow on the early spring albedo of various vegetation recovery types. We found that variations in early spring albedo within a single MODIS gridded pixel can be larger than 0.6. Since the frequency and severity of wildfires in Arctic and boreal systems is expected to increase in the coming decades, the dynamics of albedo in response to these rapid surface changes will increasingly impact the energy balance and contribute to other climate processes and physical feedback mechanisms. Surface radiation products derived from Landsat-8 data will thus play an important role in characterizing the carbon cycle and ecosystem processes of high latitude systems. PMID:29769751

Early spring post-fire snow albedo dynamics in high latitude boreal forests using Landsat-8 OLI data.

PubMed

Wang, Zhuosen; Erb, Angela M; Schaaf, Crystal B; Sun, Qingsong; Liu, Yan; Yang, Yun; Shuai, Yanmin; Casey, Kimberly A; Román, Miguel O

2016-11-01

Taking advantage of the improved radiometric resolution of Landsat-8 OLI which, unlike previous Landsat sensors, does not saturate over snow, the progress of fire recovery progress at the landscape scale (< 100m) is examined. High quality Landsat-8 albedo retrievals can now capture the true reflective and layered character of snow cover over a full range of land surface conditions and vegetation densities. This new capability particularly improves the assessment of post-fire vegetation dynamics across low- to high- burn severity gradients in Arctic and boreal regions in the early spring, when the albedos during recovery show the greatest variation. We use 30 m resolution Landsat-8 surface reflectances with concurrent coarser resolution (500m) MODIS high quality full inversion surface Bidirectional Reflectance Distribution Functions (BRDF) products to produce higher resolution values of surface albedo. The high resolution full expression shortwave blue sky albedo product performs well with an overall RMSE of 0.0267 between tower and satellite measures under both snow-free and snow-covered conditions. While the importance of post-fire albedo recovery can be discerned from the MODIS albedo product at regional and global scales, our study addresses the particular importance of early spring post-fire albedo recovery at the landscape scale by considering the significant spatial heterogeneity of burn severity, and the impact of snow on the early spring albedo of various vegetation recovery types. We found that variations in early spring albedo within a single MODIS gridded pixel can be larger than 0.6. Since the frequency and severity of wildfires in Arctic and boreal systems is expected to increase in the coming decades, the dynamics of albedo in response to these rapid surface changes will increasingly impact the energy balance and contribute to other climate processes and physical feedback mechanisms. Surface radiation products derived from Landsat-8 data will thus play an important role in characterizing the carbon cycle and ecosystem processes of high latitude systems.

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

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

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

Wavelet-based surrogate time series for multiscale simulation of heterogeneous catalysis

DOE PAGES

Savara, Aditya Ashi; Daw, C. Stuart; Xiong, Qingang; ...

2016-01-28

We propose a wavelet-based scheme that encodes the essential dynamics of discrete microscale surface reactions in a form that can be coupled with continuum macroscale flow simulations with high computational efficiency. This makes it possible to simulate the dynamic behavior of reactor-scale heterogeneous catalysis without requiring detailed concurrent simulations at both the surface and continuum scales using different models. Our scheme is based on the application of wavelet-based surrogate time series that encodes the essential temporal and/or spatial fine-scale dynamics at the catalyst surface. The encoded dynamics are then used to generate statistically equivalent, randomized surrogate time series, which canmore » be linked to the continuum scale simulation. As a result, we illustrate an application of this approach using two different kinetic Monte Carlo simulations with different characteristic behaviors typical for heterogeneous chemical reactions.« less

How Actuated Particles Effectively Capture Biomolecular Targets

PubMed Central

2017-01-01

Because of their high surface-to-volume ratio and adaptable surface functionalization, particles are widely used in bioanalytical methods to capture molecular targets. In this article, a comprehensive study is reported of the effectiveness of protein capture by actuated magnetic particles. Association rate constants are quantified in experiments as well as in Brownian dynamics simulations for different particle actuation configurations. The data reveal how the association rate depends on the particle velocity, particle density, and particle assembly characteristics. Interestingly, single particles appear to exhibit target depletion zones near their surface, caused by the high density of capture molecules. The depletion effects are even more limiting in cases with high particle densities. The depletion effects are overcome and protein capture rates are enhanced by applying dynamic particle actuation, resulting in an increase in the association rate constants by up to 2 orders of magnitude. PMID:28192952

Liouville master equation for multielectron dynamics: Neutralization of highly charged ions near a LiF surface

NASA Astrophysics Data System (ADS)

Wirtz, Ludger; Reinhold, Carlos O.; Lemell, Christoph; Burgdörfer, Joachim

2003-01-01

We present a simulation of the neutralization of highly charged ions in front of a lithium fluoride surface including the close-collision regime above the surface. The present approach employs a Monte Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from classical trajectory Monte Carlo calculations as well as quantum-mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface (“trampoline effect”). For Ne10+ we find that image acceleration is dominant and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutral or even as singly charged negative particles, irrespective of the charge state of the incoming ions.

Understanding the barriers to crystal growth: dynamical simulation of the dissolution and growth of urea from aqueous solution.

PubMed

Piana, Stefano; Gale, Julian D

2005-02-16

Both the dissolution and growth of a molecular crystalline material, urea, has been studied using dynamical atomistic simulation. The kinetic steps of dissolution and growth are clearly identified, and the activation energies for each possible step are calculated. Our molecular dynamics simulations indicate that crystal growth on the [001] face is characterized by a nucleation and growth mechanism. Nucleation on the [001] urea crystal face is predicted to occur at a very high rate, followed by rapid propagation of the steps. The rate-limiting step for crystallization is actually found to be the removal of surface defects, rather than the initial formation of the next surface layer. Through kinetic Monte Carlo modeling of the surface growth, it is found that this crystal face evolves via a rough surface topography, rather than a clean layer-by-layer mechanism.

Modeling the effect of dynamic surfaces on membrane penetration

NASA Astrophysics Data System (ADS)

van Lehn, Reid; Alexander-Katz, Alfredo

2011-03-01

The development of nanoscale materials for targeted drug delivery is an important current pursuit in materials science. One task of drug carriers is to release therapeutic agents within cells by bypassing the cell membrane to maximize the effectiveness of their payload and minimize bodily exposure. In this work, we use coarse-grained simulations to study nanoparticles (NPs) grafted with hydrophobic and hydrophilic ligands that rearrange in response to the amphiphilic lipid bilayer. We demonstrate that this dynamic surface permits the NP to spontaneously penetrate to the bilayer midplane when the surface ligands are near an order-disorder transition. We believe that this work will lead to the design of new drug carriers capable of non-specifically accessing cell interiors based solely on their dynamic surface properties. Our work is motivated by existing nanoscale systems such as micelles, or NPs grafted with highly mobile ligands or polymer brushes.

Interfacial gauge methods for incompressible fluid dynamics

DOE PAGES

Saye, R.

2016-06-10

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of "gauge freedom" to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work,more » high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena.« less

Film Levitation of Droplet Impact on Heated Nanotube Surfaces

NASA Astrophysics Data System (ADS)

Duan, Fei; Tong, Wei; Qiu, Lu

2017-11-01

Contact boiling of an impacting droplet impacting on a heated surface can be observed when the surface temperature is able to activate the nucleation and growth of vapor bubbles, the phenomena are related to nature and industrial application. The dynamic boiling patterns us is investigated when a single falling water droplet impacts on a heated titanium (Ti) surface covered with titanium oxide (TiO2) nanotubes. In the experiments, the droplets were generated from a flat-tipped needle connected to a syringe mounted on a syringe pump. The droplet diameter and velocity before impacting on the heated surface are measured by a high-speed camera with the Weber number is varied from 45 to 220. The dynamic wetting length, spreading diameter, levitation distance, and the associated parameter are measured. Interesting film levitation on titanium (Ti) surface has been revealed. The comparison of the phase diagrams on the nanotube surface and bare Ti surface suggests that the dynamic Leidenfrost point of the surface with the TiO2 nanotubes has been significantly delayed as compared to that on a bare Ti surface. The delay is inferred to result from the increase in the surface wettability and the capillary effect by the nanoscale tube structure. The further relation is discussed.

Enhanced charging kinetics of porous electrodes: surface conduction as a short-circuit mechanism.

PubMed

Mirzadeh, Mohammad; Gibou, Frederic; Squires, Todd M

2014-08-29

We use direct numerical simulations of the Poisson-Nernst-Planck equations to study the charging kinetics of porous electrodes and to evaluate the predictive capabilities of effective circuit models, both linear and nonlinear. The classic transmission line theory of de Levie holds for general electrode morphologies, but only at low applied potentials. Charging dynamics are slowed appreciably at high potentials, yet not as significantly as predicted by the nonlinear transmission line model of Biesheuvel and Bazant. We identify surface conduction as a mechanism which can effectively "short circuit" the high-resistance electrolyte in the bulk of the pores, thus accelerating the charging dynamics and boosting power densities. Notably, the boost in power density holds only for electrode morphologies with continuous conducting surfaces in the charging direction.

Steady- and unsteady-pressure measurements on a supercritical-wing model with oscillating control surfaces at subsonic and transonic speeds

NASA Technical Reports Server (NTRS)

Sandford, M. C.; Ricketts, R. H.

1983-01-01

A high aspect ratio supercritical wing with oscillating control surfaces is described. The semispan wing model was instrumented with 252 static pressure orifices and 164 in situ dynamic pressure gages for studying the effects of control surface position and sinusoidal motion on steady and unsteady pressures. Results from the present test (the third in a series of tests on this model) were obtained in the Langley Transonic Dynamics Tunnel at Mach numbers of 0.60, 0.78, and 0.86 and are presented in tabular form.

A parametric study of surface roughness and bonding mechanisms of aluminum alloys with epoxies: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Timilsina, Rajendra; Termaath, Stephanie

The marine environment is highly aggressive towards most materials. However, aluminium-magnesium alloys (Al-Mg, specifically, 5xxx series) have exceptionally long service life in such aggressive marine environments. For instance, an Al-Mg alloy, AA5083, is extensively used in naval structures because of its good mechanical strength, formability, seawater corrosion resistance and weldability. However, bonding mechanisms of these alloys with epoxies in a rough surface environment are not fully understood yet. It requires a rigorous investigation at molecular or atomic levels. We performed a molecular dynamics simulation to study an adherend surface preparation and surface bonding mechanisms of Al-Mg alloy (AA5083) with different epoxies by developing several computer models. Various distributions of surface roughness are introduced in the models and performed molecular dynamics simulations. Formation of a beta phase (Al3Mg2) , microstructures, bonding energies at the interface, bonding strengths and durability are investigated. Office of Naval Research.

Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

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

Lei, Huan; Baker, Nathan A.; Wu, Lei

2016-08-05

Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension,more » we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.« less

Decadal Trends and Common Dynamics of the Bio-Optical and Thermal Characteristics of the African Great Lakes

PubMed Central

Loiselle, Steven; Cózar, Andrés; Adgo, Enyew; Ballatore, Thomas; Chavula, Geoffrey; Descy, Jean Pierre; Harper, David M.; Kansiime, Frank; Kimirei, Ismael; Langenberg, Victor; Ma, Ronghua; Sarmento, Hugo; Odada, Eric

2014-01-01

The Great Lakes of East Africa are among the world’s most important freshwater ecosystems. Despite their importance in providing vital resources and ecosystem services, the impact of regional and global environmental drivers on this lacustrine system remains only partially understood. We make a systematic comparison of the dynamics of the bio-optical and thermal properties of thirteen of the largest African lakes between 2002 and 2011. Lake surface temperatures had a positive trend in all Great Lakes outside the latitude of 0° to 8° south, while the dynamics of those lakes within this latitude range were highly sensitive to global inter-annual climate drivers (i.e. El Niño Southern Oscillation). Lake surface temperature dynamics in nearly all lakes were found to be sensitive to the latitudinal position of the Inter Tropical Convergence Zone. Phytoplankton dynamics varied considerably between lakes, with increasing and decreasing trends. Intra-lake differences in both surface temperature and phytoplankton dynamics occurred for many of the larger lakes. This inter-comparison of bio-optical and thermal dynamics provides new insights into the response of these ecosystems to global and regional drivers. PMID:24699528

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

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

Greg Sitz

2011-08-12

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

Improvement of the Correlative AFM and ToF-SIMS Approach Using an Empirical Sputter Model for 3D Chemical Characterization.

PubMed

Terlier, T; Lee, J; Lee, K; Lee, Y

2018-02-06

Technological progress has spurred the development of increasingly sophisticated analytical devices. The full characterization of structures in terms of sample volume and composition is now highly complex. Here, a highly improved solution for 3D characterization of samples, based on an advanced method for 3D data correction, is proposed. Traditionally, secondary ion mass spectrometry (SIMS) provides the chemical distribution of sample surfaces. Combining successive sputtering with 2D surface projections enables a 3D volume rendering to be generated. However, surface topography can distort the volume rendering by necessitating the projection of a nonflat surface onto a planar image. Moreover, the sputtering is highly dependent on the probed material. Local variation of composition affects the sputter yield and the beam-induced roughness, which in turn alters the 3D render. To circumvent these drawbacks, the correlation of atomic force microscopy (AFM) with SIMS has been proposed in previous studies as a solution for the 3D chemical characterization. To extend the applicability of this approach, we have developed a methodology using AFM-time-of-flight (ToF)-SIMS combined with an empirical sputter model, "dynamic-model-based volume correction", to universally correct 3D structures. First, the simulation of 3D structures highlighted the great advantages of this new approach compared with classical methods. Then, we explored the applicability of this new correction to two types of samples, a patterned metallic multilayer and a diblock copolymer film presenting surface asperities. In both cases, the dynamic-model-based volume correction produced an accurate 3D reconstruction of the sample volume and composition. The combination of AFM-SIMS with the dynamic-model-based volume correction improves the understanding of the surface characteristics. Beyond the useful 3D chemical information provided by dynamic-model-based volume correction, the approach permits us to enhance the correlation of chemical information from spectroscopic techniques with the physical properties obtained by AFM.

Instantaneous phase mapping deflectometry for dynamic deformable mirror characterization

NASA Astrophysics Data System (ADS)

Trumper, Isaac; Choi, Heejoo

2017-09-01

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

A smoothed particle hydrodynamics model for droplet and film flow on smooth and rough fracture surfaces

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

Kordilla, Jannes; Tartakovsky, Alexandre M.; Geyer, Tobias

2013-09-01

Flow on fracture surfaces has been identified by many authors as an important flow process in unsaturated fractured rock formations. Given the complexity of flow dynamics on such small scales, robust numerical methods have to be employed in order to capture the highly dynamic interfaces and flow intermittency. In this work we present microscale free-surface flow simulations using a three-dimensional multiphase Smoothed Particle Hydrodynamics (SPH) code. Pairwise solid-fluid and fluid-fluid interaction forces are used to control the wetting behavior and cover a wide range of static and transient contact angles as well as Reynolds numbers encountered in droplet flow onmore » rock surfaces. We validate our model via comparison with existing empirical and semi-analyical solutions for droplet flow. We use the model to investigate the occurence of adsorbed trailing films of droplets under various flow conditions and its importance for the flow dynamics when films and droplets coexist. We show that flow velocities are higher on prewetted surfaces covered by a thin film which is qualitatively attributed to the enhanced dynamic wetting and dewetting at the trailing and advancing contact line.« less

Short time dynamics of water coalescence on a flat water pool

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

Lim, Su Jin; Gim, Bopil; Fezzaa, Kamel

2016-12-01

Coalescence is an important hydrodynamic event that frequently takes place in nature as well as in industry. Here we provide an experimental study on short time dynamics of water coalescence, particularly when a water droplet comes in contact with a flat water surface, by utilizing high-resolution high-penetration ultrafast X-ray microscopy. Our results demonstrate a possibility that an extreme curvature difference between a drop and a flat surface can significantly modify the hydrodynamics of water coalescence, which is unexpected in the existing theory. We suggest a plausible explanation for why coalescence can be modified by an extreme curvature difference.

Surface state-dominated photoconduction and THz-generation in topological Bi2Te2Se-nanowires

NASA Astrophysics Data System (ADS)

Seifert, Paul; Vaklinova, Kristina; Kern, Klaus; Burghard, Marko; Holleitner, Alexander

Topological insulators constitute a fascinating class of quantum materials with non-trivial, gapless states on the surface and trivial, insulating bulk states. In revealing the optoelectronic dynamics in the whole range from femto- to microseconds, we demonstrate that the long surface lifetime of Bi2Te2Se-nanowires allows to access the surface states by a pulsed photoconduction scheme and that there is a prevailing bolometric response of the surface states. The interplay of the surface state dynamics on the different timescales gives rise to a surprising physical property of Bi2Te2Se-nanowires: their pulsed photoconductance changes polarity as a function of laser power. Moreover, we show that single Bi2Te2Se-nanowires can be used as THz-generators for on-chip high-frequency circuits at room temperature. Our results open the avenue for single Bi2Te2Se-nanowires as active modules in optoelectronic high-frequency and THz-circuits. We acknowledge financial support by the ERC Grant NanoReal (n306754).

Single-bubble dynamics in pool boiling of one-component fluids

NASA Astrophysics Data System (ADS)

Xu, Xinpeng; Qian, Tiezheng

2014-06-01

We numerically investigate the pool boiling of one-component fluids with a focus on the effects of surface wettability on the single-bubble dynamics. We employed the dynamic van der Waals theory [Phys. Rev. E 75, 036304 (2007), 10.1103/PhysRevE.75.036304], a diffuse-interface model for liquid-vapor flows involving liquid-vapor transition in nonuniform temperature fields. We first perform simulations for bubbles on homogeneous surfaces. We find that an increase in either the contact angle or the surface superheating can enhance the bubble spreading over the heating surface and increase the bubble departure diameter as well and therefore facilitate the transition into film boiling. We then examine the dynamics of bubbles on patterned surfaces, which incorporate the advantages of both hydrophobic and hydrophilic surfaces. The central hydrophobic region increases the thermodynamic probability of bubble nucleation while the surrounding hydrophilic region hinders the continuous bubble spreading by pinning the contact line at the hydrophobic-hydrophilic intersection. This leads to a small bubble departure diameter and therefore prevents the transition from nucleate boiling into film boiling. With the bubble nucleation probability increased and the bubble departure facilitated, the efficiency of heat transfer on such patterned surfaces is highly enhanced, as observed experimentally [Int. J. Heat Mass Transfer 57, 733 (2013), 10.1016/j.ijheatmasstransfer.2012.10.080]. In addition, the stick-slip motion of contact line on patterned surfaces is demonstrated in one-component fluids, with the effect weakened by surface superheating.

Potential and limitations of satellite laser altimetry for monitoring water surface dynamics: ICESat for US lakes

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

Shu, Liu; Qigang, Jiang; Zhang, Xuesong

Elevation measurements from the Ice, Cloud and Land Elevation Satellite (ICESat) have been applied to monitor dynamics of lakes and other surface water bodies. Despite such potential, the true utility of ICESat--more generally, satellite laser altimetry--for tracking surface water dynamics over time has not been adequately assessed, especially in the continental or global contexts. Here, we analyzed ICESat elevation data for the conterminous United States and examined the potential and limitations of satellite laser altimetry in measuring water-level dynamics. Owing to a lack of spatially-explicit ground-based water-level data, we first resorted to high-fidelity land elevation data acquired by airborne lidarmore » to quantify ICESat’s ranging accuracy. We then performed trend and frequency analyses to evaluate how reliably ICESat could capture water-level dynamics over a range of temporal scales, as compared to in-situ gauge measurements. Our analyses showed that ICESat had a vertical ranging error of 0.16 m at the footprint level—a limit on the detectable range of water-level dynamics. The sparsity of data over time was identified as a major factor limiting the use of ICESat for water dynamics studies. Of all the US lakes, only 361 had quality ICESat measurements for more than two flight passes. Even for those lakes with sufficient temporal coverage, ICESat failed to capture the true interannual water-level dynamics in 68% of the cases. Our frequency analysis suggested that even with a repeat cycle of two months, ICESat could capture only 60% of the variations in water-level dynamics for at most 34 % of the US lakes. To capture 60% of the water-level variation for most of the US lakes, a weekly repeat cycle (e.g., less than 5 days) is needed – a requirement difficult to meet in current designs of spaceborne laser altimetry. Overall, our results highlight that current or near-future satellite laser missions, though with high ranging accuracies, are unlikely to fulfill the general needs in remotely monitoring water surface dynamics for lakes or reservoirs.« less

Convective dynamics - Panel report

NASA Technical Reports Server (NTRS)

Carbone, Richard; Foote, G. Brant; Moncrieff, Mitch; Gal-Chen, Tzvi; Cotton, William; Heymsfield, Gerald

1990-01-01

Aspects of highly organized forms of deep convection at midlatitudes are reviewed. Past emphasis in field work and cloud modeling has been directed toward severe weather as evidenced by research on tornadoes, hail, and strong surface winds. A number of specific issues concerning future thrusts, tactics, and techniques in convective dynamics are presented. These subjects include; convective modes and parameterization, global structure and scale interaction, convective energetics, transport studies, anvils and scale interaction, and scale selection. Also discussed are analysis workshops, four-dimensional data assimilation, matching models with observations, network Doppler analyses, mesoscale variability, and high-resolution/high-performance Doppler. It is also noted, that, classical surface measurements and soundings, flight-level research aircraft data, passive satellite data, and traditional photogrammetric studies are examples of datasets that require assimilation and integration.

Theoretical fluid dynamics

NASA Astrophysics Data System (ADS)

Shivamoggi, B. K.

This book is concerned with a discussion of the dynamical behavior of a fluid, and is addressed primarily to graduate students and researchers in theoretical physics and applied mathematics. A review of basic concepts and equations of fluid dynamics is presented, taking into account a fluid model of systems, the objective of fluid dynamics, the fluid state, description of the flow field, volume forces and surface forces, relative motion near a point, stress-strain relation, equations of fluid flows, surface tension, and a program for analysis of the governing equations. The dynamics of incompressible fluid flows is considered along with the dynamics of compressible fluid flows, the dynamics of viscous fluid flows, hydrodynamic stability, and dynamics of turbulence. Attention is given to the complex-variable method, three-dimensional irrotational flows, vortex flows, rotating flows, water waves, applications to aerodynamics, shock waves, potential flows, the hodograph method, flows at low and high Reynolds numbers, the Jeffrey-Hamel flow, and the capillary instability of a liquid jet.

Single-molecule resolution of protein dynamics on polymeric membrane surfaces: the roles of spatial and population heterogeneity.

PubMed

Langdon, Blake B; Mirhossaini, Roya B; Mabry, Joshua N; Sriram, Indira; Lajmi, Ajay; Zhang, Yanxia; Rojas, Orlando J; Schwartz, Daniel K

2015-02-18

Although polymeric membranes are widely used in the purification of protein pharmaceuticals, interactions between biomolecules and membrane surfaces can lead to reduced membrane performance and damage to the product. In this study, single-molecule fluorescence microscopy provided direct observation of bovine serum albumin (BSA) and human monoclonal antibody (IgG) dynamics at the interface between aqueous buffer and polymeric membrane materials including regenerated cellulose and unmodified poly(ether sulfone) (PES) blended with either polyvinylpyrrolidone (PVP), polyvinyl acetate-co-polyvinylpyrrolidone (PVAc-PVP), or polyethylene glycol methacrylate (PEGM) before casting. These polymer surfaces were compared with model surfaces composed of hydrophilic bare fused silica and hydrophobic trimethylsilane-coated fused silica. At extremely dilute protein concentrations (10(-3)-10(-7) mg/mL), protein surface exchange was highly dynamic with protein monomers desorbing from the surface within ∼1 s after adsorption. Protein oligomers (e.g., nonspecific dimers, trimers, or larger aggregates), although less common, remained on the surface for 5 times longer than monomers. Using newly developed super-resolution methods, we could localize adsorption sites with ∼50 nm resolution and quantify the spatial heterogeneity of the various surfaces. On a small anomalous subset of the adsorption sites, proteins adsorbed preferentially and tended to reside for significantly longer times (i.e., on "strong" sites). Proteins resided for shorter times overall on surfaces that were more homogeneous and exhibited fewer strong sites (e.g., PVAc-PVP/PES). We propose that strong surface sites may nucleate protein aggregation, initiated preferentially by protein oligomers, and accelerate ultrafiltration membrane fouling. At high protein concentrations (0.3-1.0 mg/mL), fewer strong adsorption sites were observed, and surface residence times were reduced. This suggests that at high concentrations, adsorbed proteins block strong sites from further protein adsorption. Importantly, this demonstrates that strong binding sites can be modified by changing solution conditions. Membrane surfaces are intrinsically heterogeneous; by employing single-molecule techniques, we have provided a new framework for understanding protein interactions with such surfaces.

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.

Dynamics and Novel Mechanisms of SN2 Reactions on ab Initio Analytical Potential Energy Surfaces.

PubMed

Szabó, István; Czakó, Gábor

2017-11-30

We describe a novel theoretical approach to the bimolecular nucleophilic substitution (S N 2) reactions that is based on analytical potential energy surfaces (PESs) obtained by fitting a few tens of thousands high-level ab initio energy points. These PESs allow computing millions of quasi-classical trajectories thereby providing unprecedented statistical accuracy for S N 2 reactions, as well as performing high-dimensional quantum dynamics computations. We developed full-dimensional ab initio PESs for the F - + CH 3 Y [Y = F, Cl, I] systems, which describe the direct and indirect, complex-forming Walden-inversion, the frontside attack, and the new double-inversion pathways as well as the proton-transfer channels. Reaction dynamics simulations on the new PESs revealed (a) a novel double-inversion S N 2 mechanism, (b) frontside complex formation, (c) the dynamics of proton transfer, (d) vibrational and rotational mode specificity, (e) mode-specific product vibrational distributions, (f) agreement between classical and quantum dynamics, (g) good agreement with measured scattering angle and product internal energy distributions, and (h) significant leaving group effect in accord with experiments.

An efficient approach to the analysis of rail surface irregularities accounting for dynamic train-track interaction and inelastic deformations

NASA Astrophysics Data System (ADS)

Andersson, Robin; Torstensson, Peter T.; Kabo, Elena; Larsson, Fredrik

2015-11-01

A two-dimensional computational model for assessment of rolling contact fatigue induced by discrete rail surface irregularities, especially in the context of so-called squats, is presented. Dynamic excitation in a wide frequency range is considered in computationally efficient time-domain simulations of high-frequency dynamic vehicle-track interaction accounting for transient non-Hertzian wheel-rail contact. Results from dynamic simulations are mapped onto a finite element model to resolve the cyclic, elastoplastic stress response in the rail. Ratcheting under multiple wheel passages is quantified. In addition, low cycle fatigue impact is quantified using the Jiang-Sehitoglu fatigue parameter. The functionality of the model is demonstrated by numerical examples.

Molecular Effects of Concentrated Solutes on Protein Hydration, Dynamics, and Electrostatics.

PubMed

Abriata, Luciano A; Spiga, Enrico; Peraro, Matteo Dal

2016-08-23

Most studies of protein structure and function are performed in dilute conditions, but proteins typically experience high solute concentrations in their physiological scenarios and biotechnological applications. High solute concentrations have well-known effects on coarse protein traits like stability, diffusion, and shape, but likely also perturb other traits through finer effects pertinent at the residue and atomic levels. Here, NMR and molecular dynamics investigations on ubiquitin disclose variable interactions with concentrated solutes that lead to localized perturbations of the protein's surface, hydration, electrostatics, and dynamics, all dependent on solute size and chemical properties. Most strikingly, small polar uncharged molecules are sticky on the protein surface, whereas charged small molecules are not, but the latter still perturb the internal protein electrostatics as they diffuse nearby. Meanwhile, interactions with macromolecular crowders are favored mainly through hydrophobic, but not through polar, surface patches. All the tested small solutes strongly slow down water exchange at the protein surface, whereas macromolecular crowders do not exert such strong perturbation. Finally, molecular dynamics simulations predict that unspecific interactions slow down microsecond- to millisecond-timescale protein dynamics despite having only mild effects on pico- to nanosecond fluctuations as corroborated by NMR. We discuss our results in the light of recent advances in understanding proteins inside living cells, focusing on the physical chemistry of quinary structure and cellular organization, and we reinforce the idea that proteins should be studied in native-like media to achieve a faithful description of their function. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Characterisation of High Grazing Angle X-band Sea-clutter Doppler Spectra

DTIC Science & Technology

2013-08-01

0397 2 Background The ocean surface is a highly complex dynamical system and relating Doppler spectra to surface conditions is a difficult problem...1966] then extended this theory to water and classified it as a ‘slightly rough’ surface. He showed that the scattering elements of primary importance...incidence field. This is the definition for the Bragg water -wave propagation number defined in the spatial frequency domain as kw = 2k0 cos θ, where

Deformation dynamics and spallation strength of aluminium under a single-pulse action of a femtosecond laser

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

Ashitkov, Sergei I; Komarov, P S; Ovchinnikov, A V

An interferometric method is developed and realised using a frequency-modulated pulse for diagnosing a dynamics of fast deformations with a spatial and temporal resolution under the action of a single laser pulse. The dynamics of a free surface of a submicron-thick aluminium film is studied under an action of the ultrashort compression pulse with the amplitude of up to 14 GPa, excited by a femtosecond laser heating of the target surface layer. The spallation strength of aluminium was determined at a record high deformation rate of 3 Multiplication-Sign 10{sup 9} s{sup -1}. (extreme light fields and their applications)

An experimental and theoretical study of structural damping in compliant foil bearings

NASA Technical Reports Server (NTRS)

Ku, C.-P. Roger

1994-01-01

This paper describes an experimental investigation into the dynamic characteristics of corrugated foil (bump foil) strips used in compliant surface foil bearings. This study provided and opportunity to quantify the structural damping of bump foil strips. The experimental data were compared to results obtained by a theoretical model developed earlier. The effects of bearing design parameters, such as static loads, dynamic displacement amplitudes, bump configurations, pivot locations, surface coatings, and lubricant were also evaluated. An understanding of the dynamic characteristics of bump foil strips resulting from this work offers designers a means for enhancing the design of high-performance compliant foil bearings.

Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions.

PubMed

Fu, Bina; Zhang, Dong H

2018-05-08

There has been great progress in the development of potential energy surfaces (PESs) and quantum dynamics calculations in the gas phase. The establishment of a fitting procedure for highly accurate PESs and new developments in quantum reactive scattering on reliable PESs allow accurate characterization of reaction dynamics beyond triatomic systems. This review will give the recent development in our group in constructing ab initio PESs based on neural networks and the time-dependent wave packet calculations for bimolecular reactions beyond three atoms. Bimolecular reactions of current interest to the community, namely, OH + H 2 , H + H 2 O, OH + CO, H + CH 4 , and Cl + CH 4 , are focused on. Quantum mechanical characterization of these reactions uncovers interesting dynamical phenomena with an unprecedented level of sophistication and has greatly advanced our understanding of polyatomic reaction dynamics.

Liouville master equation for multi-electron dynamics during ion-surface interactions

NASA Astrophysics Data System (ADS)

Wirtz, L.; Reinhold, C. O.; Lemell, C.; Burgdorfer, J.

2003-05-01

We present a simulation of the neutralization of highly charged ions in front of a LiF(100) surface including the close-collision regime above the surface. Our approach employs a Monte-Carlo solution of the Liouville master equation for the joint probability density of the ionic motion and the electronic population of the projectile and the target surface. It includes single as well as double particle-hole (de)excitation processes and incorporates electron correlation effects through the conditional dynamics of population strings. The input in terms of elementary one- and two-electron transfer rates is determined from CTMC calculations as well as quantum mechanical Auger calculations. For slow projectiles and normal incidence, the ionic motion depends sensitively on the interplay between image acceleration towards the surface and repulsion by an ensemble of positive hole charges in the surface (``trampoline effect"). For Ne10+ ions we find that image acceleration dominates and no collective backscattering high above the surface takes place. For grazing incidence, our simulation delineates the pathways to complete neutralization. In accordance with recent experimental observations, most ions are reflected as neutrals or even as singly charged negative particles, irrespective of the charge state of the incoming ion.

Quasi-Geostrophic Diagnosis of Mixed-Layer Dynamics Embedded in a Mesoscale Turbulent Field

NASA Astrophysics Data System (ADS)

Chavanne, C. P.; Klein, P.

2016-02-01

A new quasi-geostrophic model has been developed to diagnose the three-dimensional circulation, including the vertical velocity, in the upper ocean from high-resolution observations of sea surface height and buoyancy. The formulation for the adiabatic component departs from the classical surface quasi-geostrophic framework considered before since it takes into account the stratification within the surface mixed-layer that is usually much weaker than that in the ocean interior. To achieve this, the model approximates the ocean with two constant-stratification layers : a finite-thickness surface layer (or the mixed-layer) and an infinitely-deep interior layer. It is shown that the leading-order adiabatic circulation is entirely determined if both the surface streamfunction and buoyancy anomalies are considered. The surface layer further includes a diabatic dynamical contribution. Parameterization of diabatic vertical velocities is based on their restoring impacts of the thermal-wind balance that is perturbed by turbulent vertical mixing of momentum and buoyancy. The model skill in reproducing the three-dimensional circulation in the upper ocean from surface data is checked against the output of a high-resolution primitive-equation numerical simulation. Correlation between simulated and diagnosed vertical velocities are significantly improved in the mixed-layer for the new model compared to the classical surface quasi-geostrophic model, reaching 0.9 near the surface.

Efficient multidimensional free energy calculations for ab initio molecular dynamics using classical bias potentials

NASA Astrophysics Data System (ADS)

VandeVondele, Joost; Rothlisberger, Ursula

2000-09-01

We present a method for calculating multidimensional free energy surfaces within the limited time scale of a first-principles molecular dynamics scheme. The sampling efficiency is enhanced using selected terms of a classical force field as a bias potential. This simple procedure yields a very substantial increase in sampling accuracy while retaining the high quality of the underlying ab initio potential surface and can thus be used for a parameter free calculation of free energy surfaces. The success of the method is demonstrated by the applications to two gas phase molecules, ethane and peroxynitrous acid, as test case systems. A statistical analysis of the results shows that the entire free energy landscape is well converged within a 40 ps simulation at 500 K, even for a system with barriers as high as 15 kcal/mol.

Dynamic strength properties of the surface of an ultra-fine-grained aluminum alloy under conditions of high-speed erosion

NASA Astrophysics Data System (ADS)

Kazarinov, N. A.; Evstifeev, A. D.; Petrov, Yu. V.; Lashkov, V. A.

2016-05-01

The influence of severe plastic deformation on the material surface is investigated under highspeed erosion conditions. The AD1 aluminum alloy was tested with the structure changed by severe plastic torsional deformation.

Thermal effect of laser ablation on the surface of carbon fiber reinforced plastic during laser processing

NASA Astrophysics Data System (ADS)

Ohkubo, Tomomasa; Sato, Yuji; Matsunaga, Ei-ichi; Tsukamoto, Masahiro

2018-02-01

Although laser processing is widely used for many applications, the cutting quality of carbon fiber reinforced plastic (CFRP) decreases around the heat-affected zone (HAZ) during laser processing. Carbon fibers are exposed around the HAZ, and tensile strength decreases with increasing length of the HAZ. Some theoretical studies of thermal conductions that do not consider fluid dynamics have been performed; however, theoretical considerations that include the dynamics of laser ablation are scarce. Using removed mass and depth observed from experiments, the dynamics of laser ablation of CFRP with high-temperature and high-pressure of compressive gas is simulated herein. In this calculation, the mushroom-like shape of laser ablation is qualitatively simulated compared with experiments using a high-speed camera. Considering the removal temperature of the resin and the temperature distribution at each point on the surface, the simulation results suggest that a wide area of the resin is removed when the processing depth is shallow, and a rounded kerf is generated as the processing depth increases.

A New Approach for 3D Ocean Reconstruction from Limited Observations

NASA Astrophysics Data System (ADS)

Xiao, X.

2014-12-01

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

Water interactions with condensed organic phases: a combined experimental and theoretical study of molecular-level processes

NASA Astrophysics Data System (ADS)

Johansson, Sofia M.; Kong, Xiangrui; Thomson, Erik S.; Papagiannakopoulos, Panos; Pettersson, Jan B. C.; Lovrić, Josip; Toubin, Céline

2016-04-01

Water uptake on aerosol particles modifies their chemistry and microphysics with important implications for air quality and climate. A large fraction of the atmospheric aerosol consists of organic aerosol particles or inorganic particles with condensed organic components. Here, we combine laboratory studies using the environmental molecular beam (EMB) method1 with molecular dynamics (MD) simulations to characterize water interactions with organic surfaces in detail. The over-arching aim is to characterize the mechanisms that govern water uptake, in order to guide the development of physics-based models to be used in atmospheric modelling. The EMB method enables molecular level studies of interactions between gases and volatile surfaces at near ambient pressure,1 and the technique may provide information about collision dynamics, surface and bulk accommodation, desorption and diffusion kinetics. Molecular dynamics simulations provide complementary information about the collision dynamics and initial interactions between gas molecules and the condensed phase. Here, we focus on water interactions with condensed alcohol phases that serve as highly simplified proxies for systems in the environment. Gas-surface collisions are in general found to be highly inelastic and result in efficient surface accommodation of water molecules. As a consequence, surface accommodation of water can be safely assumed to be close to unity under typical ambient conditions. Bulk accommodation is inefficient on solid alcohol and the condensed materials appear to produce hydrophobic surface structures, with limited opportunities for adsorbed water to form hydrogen bonds with surface molecules. Accommodation is significantly more efficient on the dynamic liquid alcohol surfaces. The results for n-butanol (BuOH) are particularly intriguing where substantial changes in water accommodation taking place over a 10 K interval below and above the BuOH melting point.2 The governing mechanisms for the observed water accommodation are discussed based on the combined EMB and MD results. The studies illustrate that the detailed surface properties of the condensed organic phase may substantially modify water uptake, with potential implications for the properties and action of aerosols and clouds in the Earth system. References: 1. X.R. Kong, E. S. Thomson, P. Papagiannakopoulos, S.M. Johansson, and J.B.C. Pettersson, Water Accommodation on Ice and Organic Surfaces: Insights from Environmental Molecular Beam Experiments. J. Phys. Chem. B 118 (2014) 13378-13386. 2. P. Papagiannakopoulos, X. Kong, E. S. Thomson, N. Marković, and J. B. C. Pettersson, Surface Transformations and Water Uptake on Liquid and Solid Butanol near the Melting Temperature. J. Phys. Chem. C 117 (2013) 6678-6685.

Silica nano-particle super-hydrophobic surfaces: the effects of surface morphology and trapped air pockets on hydrodynamic drainage forces.

PubMed

Chan, Derek Y C; Uddin, Md Hemayet; Cho, Kwun L; Liaw, Irving I; Lamb, Robert N; Stevens, Geoffrey W; Grieser, Franz; Dagastine, Raymond R

2009-01-01

We used atomic force microscopy to study dynamic forces between a rigid silica sphere (radius approximately 45 microm) and a silica nano-particle super-hydrophobic surface (SNP-SHS) in aqueous electrolyte, in the presence and absence of surfactant. Characterization of the SNP-SHS surface in air showed a surface roughness of up to two microns. When in contact with an aqueous phase, the SNP-SHS traps large, soft and stable air pockets in the surface interstices. The inherent roughness of the SNP-SHS together with the trapped air pockets are responsible for the superior hydrophobic properties of SNP-SHS such as high equilibrium contact angle (> 140 degrees) of water sessile drops on these surfaces and low hydrodynamic friction as observed in force measurements. We also observed that added surfactants adsorbed at the surface of air pockets magnified hydrodynamic interactions involving the SNP-SHS. The dynamic forces between the same silica sphere and a laterally smooth mica surface showed that the fitted Navier slip lengths using the Reynolds lubrication model were an order of magnitude larger than the length scale of the sphere surface roughness. The surface roughness and the lateral heterogeneity of the SNP-SHS hindered attempts to characterize the dynamic response using the Reynolds lubrication model even when augmented with a Navier slip boundary.

Evolution of continental-scale drainage in response to mantle dynamics and surface processes: An example from the Ethiopian Highlands

NASA Astrophysics Data System (ADS)

Sembroni, Andrea; Molin, Paola; Pazzaglia, Frank J.; Faccenna, Claudio; Abebe, Bekele

2016-05-01

Ethiopia offers an excellent opportunity to study the effects and linkage between mantle dynamics and surface processes on landscape evolution. The Ethiopian Highlands (NW Ethiopia), characterized by a huge basaltic plateau, is part of the African Superswell, a wide region of dynamically-supported anomalously high topography related to the rising of the Afar plume. The initiation and steadiness of dynamic support beneath Ethiopia has been explored in several studies. However the presence, role, and timing of dynamic support beneath Ethiopia and its relationship with continental flood basalts volcanism and surface processes are poorly defined. Here, we present a geomorphological analysis of the Ethiopian Highlands supplying new constraints on the evolution of river network. We investigated the general topographic features (filtered topography, swath profiles, local relief) and the river network (river longitudinal profiles) of the study area. We also apply a knickpoint celerity model in order to provide a chronological framework to the evolution of the river network. The results trace the long-term progressive capture of the Ethiopian Highlands drainage system and confirm the long-term dynamic support of the area, documenting its impact on the contrasting development of the Blue Nile and Tekeze basins.

Evolution of continental-scale drainage in response to mantle dynamics and surface processes: an example from the Ethiopian Highlands.

NASA Astrophysics Data System (ADS)

Sembroni, Andrea; Molin, Paola; Pazzaglia, Frank J.; Faccenna, Claudio; Abebe, Bekele

2016-04-01

Ethiopia offers an excellent opportunity to study the effects and linkage between mantle dynamics and surface processes on landscape evolution. The Ethiopian Highlands (NW Ethiopia), characterized by a huge basaltic plateau, is part of the African Superswell, a wide region of dynamically-supported anomalously high topography related to the rising of the Afar plume. The initiation and steadiness of dynamic support beneath Ethiopia has been explored in several studies. However the presence, role, and timing of dynamic support beneath Ethiopia and its relationship with continental flood basalts volcanism and surface processes are poorly defined. Here, we present a geomorphological analysis of the Ethiopian Highlands supplying new constrains on the evolution of river network. We investigated the general topographic features (filtered topography, swath profiles, local relief) and the river network (river longitudinal profiles) of the study area. We also apply a knickpoint celerity model in order to provide a chronological framework to the evolution of the river network. The results trace the long-term progressive capture of the Ethiopian Highlands drainage system and confirm the long-term dynamic support of the area, documenting its impact on the contrasting development of the Blue Nile and Tekeze basins.

Single-Molecule Interfacial Electron Transfer

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

Lu, H. Peter

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static andmore » dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO 2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO 2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO 2 nanoparticle surfaces by using ultrafast single-molecule spectroscopy and electrochemical AFM metal tip scanning microscopy, focusing on understanding the interfacial electron transfer dynamics at specific nanoscale electron transfer sites with high-spatially and temporally resolved topographic-and-spectroscopic characterization at individual molecule basis, characterizing single-molecule rate processes, reaction driving force, and molecule-substrate electronic coupling. One of the most significant characteristics of our new approach is that we are able to interrogate the complex interfacial electron transfer dynamics by actively pin-point energetic manipulation of the surface interaction and electronic couplings, beyond the conventional excitation and observation.« less

Positive dwell time algorithm with minimum equal extra material removal in deterministic optical surfacing technology.

PubMed

Li, Longxiang; Xue, Donglin; Deng, Weijie; Wang, Xu; Bai, Yang; Zhang, Feng; Zhang, Xuejun

2017-11-10

In deterministic computer-controlled optical surfacing, accurate dwell time execution by computer numeric control machines is crucial in guaranteeing a high-convergence ratio for the optical surface error. It is necessary to consider the machine dynamics limitations in the numerical dwell time algorithms. In this paper, these constraints on dwell time distribution are analyzed, and a model of the equal extra material removal is established. A positive dwell time algorithm with minimum equal extra material removal is developed. Results of simulations based on deterministic magnetorheological finishing demonstrate the necessity of considering machine dynamics performance and illustrate the validity of the proposed algorithm. Indeed, the algorithm effectively facilitates the determinacy of sub-aperture optical surfacing processes.

Monte Carlo wave packet study of negative ion mediated vibrationally inelastic scattering of NO from the metal surface

NASA Astrophysics Data System (ADS)

Li, Shenmin; Guo, Hua

2002-09-01

The scattering dynamics of vibrationally excited NO from a metal surface is investigated theoretically using a dissipative model that includes both the neutral and negative ion states. The Liouville-von Neumann equation is solved numerically by a Monte Carlo wave packet method, in which the wave packet is allowed to "jump" between the neutral and negative ion states in a stochastic fashion. It is shown that the temporary population of the negative ion state results in significant changes in vibrational dynamics, which eventually lead to vibrationally inelastic scattering of NO. Reasonable agreement with experiment is obtained with empirical potential energy surfaces. In particular, the experimentally observed facile multiquantum relaxation of the vibrationally highly excited NO is reproduced. The simulation also provides interesting insight into the scattering dynamics.

Pulsating gliding transition in the dynamics of levitating liquid nitrogen droplets

NASA Astrophysics Data System (ADS)

Snezhko, Alexey; Ben Jacob, Eshel; Aranson, Igor S.

2008-04-01

Hot surfaces can cause levitation of small liquid droplets if the temperature is kept above the Leidenfrost point (220 °C for water) due to the pressure formed because of rapid evaporation. Here, we demonstrate a new class of pulsating-gliding dynamic transitions in a special setting of the Leidenfrost effect at room temperatures and above a viscous fluid for droplets of liquid nitrogen. A whole range of highly dynamic patterns unfolds when droplets of liquid nitrogen are poured on the surface of another, more viscous liquid at room temperature. We also discovered that the levitating droplets induce vortex motion in the supporting viscous liquid. Depending on the viscosity of the supporting liquid, the nitrogen droplets either adopt an oscillating (pulsating) star-like shape with different azimuthal symmetries (from 2-9 petals) or glide on the surface with random trajectories. Thus, by varying the viscosity of the supporting liquid, we achieve controlled morphology and dynamics of Leidenfrost droplets.

Biaxially mechanical tuning of 2-D reversible and irreversible surface topologies through simultaneous and sequential wrinkling.

PubMed

Yin, Jie; Yagüe, Jose Luis; Boyce, Mary C; Gleason, Karen K

2014-02-26

Controlled buckling is a facile means of structuring surfaces. The resulting ordered wrinkling topologies provide surface properties and features desired for multifunctional applications. Here, we study the biaxially dynamic tuning of two-dimensional wrinkled micropatterns under cyclic mechanical stretching/releasing/restretching simultaneously or sequentially. A biaxially prestretched PDMS substrate is coated with a stiff polymer deposited by initiated chemical vapor deposition (iCVD). Applying a mechanical release/restretch cycle in two directions loaded simultaneously or sequentially to the wrinkled system results in a variety of dynamic and tunable wrinkled geometries, the evolution of which is investigated using in situ optical profilometry, numerical simulations, and theoretical modeling. Results show that restretching ordered herringbone micropatterns, created through sequential release of biaxial prestrain, leads to reversible and repeatable surface topography. The initial flat surface and the same wrinkled herringbone pattern are obtained alternatively after cyclic release/restretch processes, owing to the highly ordered structure leaving no avenue for trapping irregular topological regions during cycling as further evidenced by the uniformity of strains distributions and negligible residual strain. Conversely, restretching disordered labyrinth micropatterns created through simultaneous release shows an irreversible surface topology whether after sequential or simultaneous restretching due to creation of irregular surface topologies with regions of highly concentrated strain upon formation of the labyrinth which then lead to residual strains and trapped topologies upon cycling; furthermore, these trapped topologies depend upon the subsequent strain histories as well as the cycle. The disordered labyrinth pattern varies after each cyclic release/restretch process, presenting residual shallow patterns instead of achieving a flat state. The ability to dynamically tune the highly ordered herringbone patterning through mechanical stretching or other actuation makes these wrinkles excellent candidates for tunable multifunctional surfaces properties such as reflectivity, friction, anisotropic liquid flow or boundary layer control.

Is the boundary layer of an ionic liquid equally lubricating at higher temperature?

PubMed

Hjalmarsson, Nicklas; Atkin, Rob; Rutland, Mark W

2016-04-07

Atomic force microscopy has been used to study the effect of temperature on normal forces and friction for the room temperature ionic liquid (IL) ethylammonium nitrate (EAN), confined between mica and a silica colloid probe at 25 °C, 50 °C, and 80 °C. Force curves revealed a strong fluid dynamic influence at room temperature, which was greatly reduced at elevated temperatures due to the reduced liquid viscosity. A fluid dynamic analysis reveals that bulk viscosity is manifested at large separation but that EAN displays a nonzero slip, indicating a region of different viscosity near the surface. At high temperatures, the reduction in fluid dynamic force reveals step-like force curves, similar to those found at room temperature using much lower scan rates. The ionic liquid boundary layer remains adsorbed to the solid surface even at high temperature, which provides a mechanism for lubrication when fluid dynamic lubrication is strongly reduced. The friction data reveals a decrease in absolute friction force with increasing temperature, which is associated with increased thermal motion and reduced viscosity of the near surface layers but, consistent with the normal force data, boundary layer lubrication was unaffected. The implications for ILs as lubricants are discussed in terms of the behaviour of this well characterised system.

Mean Dynamic Topography of the Arctic Ocean

NASA Technical Reports Server (NTRS)

Farrell, Sinead Louise; Mcadoo, David C.; Laxon, Seymour W.; Zwally, H. Jay; Yi, Donghui; Ridout, Andy; Giles, Katherine

2012-01-01

ICESat and Envisat altimetry data provide measurements of the instantaneous sea surface height (SSH) across the Arctic Ocean, using lead and open water elevation within the sea ice pack. First, these data were used to derive two independent mean sea surface (MSS) models by stacking and averaging along-track SSH profiles gathered between 2003 and 2009. The ICESat and Envisat MSS data were combined to construct the high-resolution ICEn MSS. Second, we estimate the 5.5-year mean dynamic topography (MDT) of the Arctic Ocean by differencing the ICEn MSS with the new GOCO02S geoid model, derived from GRACE and GOCE gravity. Using these satellite-only data we map the major features of Arctic Ocean dynamical height that are consistent with in situ observations, including the topographical highs and lows of the Beaufort and Greenland Gyres, respectively. Smaller-scale MDT structures remain largely unresolved due to uncertainties in the geoid at short wavelengths.

Dual interferometer for dynamic measurement of corneal topography

NASA Astrophysics Data System (ADS)

Micali, Jason D.; Greivenkamp, John E.

2016-08-01

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

Dynamic of cold-atom tips in anharmonic potentials

PubMed Central

Menold, Tobias; Federsel, Peter; Rogulj, Carola; Hölscher, Hendrik; Fortágh, József

2016-01-01

Background: Understanding the dynamics of ultracold quantum gases in an anharmonic potential is essential for applications in the new field of cold-atom scanning probe microscopy. Therein, cold atomic ensembles are used as sensitive probe tips to investigate nanostructured surfaces and surface-near potentials, which typically cause anharmonic tip motion. Results: Besides a theoretical description of this anharmonic tip motion, we introduce a novel method for detecting the cold-atom tip dynamics in situ and real time. In agreement with theory, the first measurements show that particle interactions and anharmonic motion have a significant impact on the tip dynamics. Conclusion: Our findings will be crucial for the realization of high-sensitivity force spectroscopy with cold-atom tips and could possibly allow for the development of advanced spectroscopic techniques such as Q-control. PMID:28144505

Site-level model intercomparison of high latitude and high altitude soil thermal dynamics in tundra and barren landscapes

NASA Astrophysics Data System (ADS)

Ekici, A.; Chadburn, S.; Chaudhary, N.; Hajdu, L. H.; Marmy, A.; Peng, S.; Boike, J.; Burke, E.; Friend, A. D.; Hauck, C.; Krinner, G.; Langer, M.; Miller, P. A.; Beer, C.

2015-07-01

Modeling soil thermal dynamics at high latitudes and altitudes requires representations of physical processes such as snow insulation, soil freezing and thawing and subsurface conditions like soil water/ice content and soil texture. We have compared six different land models: JSBACH, ORCHIDEE, JULES, COUP, HYBRID8 and LPJ-GUESS, at four different sites with distinct cold region landscape types, to identify the importance of physical processes in capturing observed temperature dynamics in soils. The sites include alpine, high Arctic, wet polygonal tundra and non-permafrost Arctic, thus showing how a range of models can represent distinct soil temperature regimes. For all sites, snow insulation is of major importance for estimating topsoil conditions. However, soil physics is essential for the subsoil temperature dynamics and thus the active layer thicknesses. This analysis shows that land models need more realistic surface processes, such as detailed snow dynamics and moss cover with changing thickness and wetness, along with better representations of subsoil thermal dynamics.

Fermi arc plasmons in Weyl semimetals

NASA Astrophysics Data System (ADS)

Song, Justin C. W.; Rudner, Mark S.

2017-11-01

In the recently discovered Weyl semimetals, the Fermi surface may feature disjoint, open segments—the so-called Fermi arcs—associated with topological states bound to exposed crystal surfaces. Here we show that the collective dynamics of electrons near such surfaces sharply departs from that of a conventional three-dimensional metal. In magnetic systems with broken time reversal symmetry, the resulting Fermi arc plasmons (FAPs) are chiral, with dispersion relations featuring open, hyperbolic constant frequency contours. As a result, a large range of surface plasmon wave vectors can be supported at a given frequency, with corresponding group velocity vectors directed along a few specific collimated directions. Fermi arc plasmons can be probed using near-field photonics techniques, which may be used to launch highly directional, focused surface plasmon beams. The unusual characteristics of FAPs arise from the interplay of bulk and surface Fermi arc carrier dynamics and give a window into the unusual fermiology of Weyl semimetals.

Behavior of severely supercooled water drops impacting on superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Maitra, Tanmoy; Antonini, Carlo; Tiwari, Manish K.; Mularczyk, Adrian; Imeri, Zulkufli; Schoch, Philippe; Poulikakos, Dimos

2014-11-01

Surface icing, commonplace in nature and technology, has broad implications to daily life. To prevent surface icing, superhydrophobic surfaces/coatings with rationally controlled roughness features (both at micro and nano-scale) are considered to be a promising candidate. However, to fabricate/synthesize a high performance icephobic surface or coating, understanding the dynamic interaction between water and the surface during water drop impact in supercooled state is necessary. In this work, we investigate the water/substrate interaction using drop impact experiments down to -17°C. It is found that the resulting increased viscous effect of water at low temperature significantly affects all stages of drop dynamics such as maximum spreading, contact time and meniscus penetration into the superhydrophobic texture. Most interestingly, the viscous effect on the meniscus penetration into roughness feature leads to clear change in the velocity threshold for rebounding to sticking transition by 25% of supercooled drops. Swiss National Science Foundation (SNF) Grant 200021_135479.

Ultrasound-induced oscillations of gas bubbles in contact with gelatin gel surfaces

NASA Astrophysics Data System (ADS)

Fukui, Sosuke; Ando, Keita

2017-11-01

Ultrasound-induced dynamics of gas bubbles in the vicinity of deformable boundaries are studied experimentally, as a simplified model of sonoporation in medicine. In our experiment, 28-kHz underwater ultrasound was irradiated to a gas bubble nuclei (of radius from 60 μm to 200 μm) sitting at gel surfaces (of gelatin concentration from 6 wt% to 16 wt%) and the bubble dynamics were recorded by a high-speed camera. The repeated deformation of the gel surface was found to be in phase with volumetric oscillation of the bubble. A liquid jet, which can appear toward the collapse phase in the bubble oscillation in volume, produced localized surface deformation, which is an important observation in the context of sonoporation. We characterize the maximum displacement of the gel surface with varying the bubble nuclei radius (in comparison to the resonant radius fixed approximately at 117 μm). We also examine the phase difference between the ultrasound and the bubble dynamics under the influence of the deformable boundary. The Research Grant of Keio Leading-edge Laboratory of Science & Technology.

Effects of spoiler surfaces on the aeroelastic behavior of a low-aspect-ratio rectangular wing

NASA Technical Reports Server (NTRS)

Cole, Stanley R.

1990-01-01

An experimental research study to determine the effectiveness of spoiler surfaces in suppressing flutter onset for a low-aspect-ratio, rectangular wing was conducted in the Langley Transonic Dynamics Tunnel (TDT). The wing model used in this flutter test consisted of a rigid wing mounted to the wind-tunnel wall by a flexible, rectangular beam. The flexible beam was connected to the wing root and cantilever mounted to the wind-tunnel wall. The wing had a 1.5 aspect ratio based on wing semispan and a NACA 64A010 airfoil shape. The spoiler surfaces consisted of thin, rectangular aluminum plates that were vertically mounted to the wing surface. The spoiler surface geometry and location on the wing surface were varied to determine the effects of these parameters on the classical flutter of the wing model. Subsonically, the experiment showed that spoiler surfaces increased the flutter dynamic pressure with each successive increase in spoiler height or width. This subsonic increase in flutter dynamic pressure was approximately 15 percent for the maximum height spoiler configuration and for the maximum width spoiler configuration. At transonic Mach numbers, the flutter dynamic pressure conditions were increased even more substantially than at subsonic Mach numbers for some of the smaller spoiler surfaces. But greater than a certain spoiler size (in terms of either height or width) the spoilers forced a torsional instability in the transonic regime that was highly Mach number dependent. This detrimental torsional instability was found at dynamic pressures well below the expected flutter conditions. Variations in the spanwise location of the spoiler surfaces on the wing showed little effect on flutter. Flutter analysis was conducted for the basic configuration (clean wing with all spoiler surface mass properties included). The analysis correlated well with the clean wing experimental flutter results.

Surface vacancies concentration of CeO2(1 1 1) using kinetic Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Mattiello, S.; Kolling, S.; Heiliger, C.

2016-01-01

Kinetic Monte Carlo simulations (kMC) are useful tools for the investigation of the dynamics of surface properties. Within this method we investigate the oxygen vacancy concentration of \\text{Ce}{{\\text{O}}2}(1 1 1) at ultra high vacuum conditions (UHV). In order to achieve first principles calculations the input for the simulations, i.e. energy barriers for the microscopic processes, we use density functional theory (DFT) results from literature. We investigate the possibility of ad- and desorption of oxygen on ceria as well as the diffusion of oxygen vacancies to and from the subsurface. In particular, we focus on the vacancy surface concentration as well as on the ratio of the number of subsurface vacancies to the number of vacancies at the surface. The comparison of our dynamically obtained results to the experimental findings leads to several issues. In conclusion, we can claim a substantial incompatibility of the experimental results and the dynamical calculation using DFT inputs.

Groundwater–surface water mixing shifts ecological assembly processes and stimulates organic carbon turnover

DOE PAGES

Stegen, James C.; Fredrickson, James K.; Wilkins, Michael J.; ...

2016-04-07

Environmental transition zones are associated with geochemical gradients that overcome energy limitations to microbial metabolism, resulting in biogeochemical hot spots and moments. Riverine systems where groundwater mixes with surface water (the hyporheic zone) are spatially complex and temporally dynamic, making development of predictive models challenging. Spatial and temporal variations in hyporheic zone microbial communities are a key, but understudied, component of riverine biogeochemical function. To investigate the coupling among groundwater-surface water mixing, microbial communities, and biogeochemistry we applied ecological theory, aqueous biogeochemistry, DNA sequencing, and ultra-high resolution organic carbon profiling to field samples collected across times and locations representing amore » broad range of mixing conditions. Mixing of groundwater and surface water resulted in a shift from transport-driven stochastic dynamics to a deterministic microbial structure associated with elevated biogeochemical rates. While the dynamics of the hyporheic make predictive modeling a challenge, we provide new knowledge that can improve the tractability of such models.« less

Charge Dynamics in near-Surface, Variable-Density Ensembles of Nitrogen-Vacancy Centers in Diamond.

PubMed

Dhomkar, Siddharth; Jayakumar, Harishankar; Zangara, Pablo R; Meriles, Carlos A

2018-06-13

Although the spin properties of superficial shallow nitrogen-vacancy (NV) centers have been the subject of extensive scrutiny, considerably less attention has been devoted to studying the dynamics of NV charge conversion near the diamond surface. Using multicolor confocal microscopy, here we show that near-surface point defects arising from high-density ion implantation dramatically increase the ionization and recombination rates of shallow NVs compared to those in bulk diamond. Further, we find that these rates grow linearly, not quadratically, with laser intensity, indicative of single-photon processes enabled by NV state mixing with other defect states. Accompanying these findings, we observe NV ionization and recombination in the dark, likely the result of charge transfer to neighboring traps. Despite the altered charge dynamics, we show that one can imprint rewritable, long-lasting patterns of charged-initialized, near-surface NVs over large areas, an ability that could be exploited for electrochemical biosensing or to optically store digital data sets with subdiffraction resolution.

Characterizing observed circulation patterns within a bay using HF radar and numerical model simulations

NASA Astrophysics Data System (ADS)

O'Donncha, Fearghal; Hartnett, Michael; Nash, Stephen; Ren, Lei; Ragnoli, Emanuele

2015-02-01

In this study, High Frequency Radar (HFR), observations in conjunction with numerical model simulations investigate surface flow dynamics in a tidally-active, wind-driven bay; Galway Bay situated on the West coast of Ireland. Comparisons against ADCP sensor data permit an independent assessment of HFR and model performance, respectively. Results show root-mean-square (rms) differences in the range 10 - 12cm/s while model rms equalled 12 - 14cm/s. Subsequent analysis focus on a detailed comparison of HFR and model output. Harmonic analysis decompose both sets of surface currents based on distinct flow process, enabling a correlation analysis between the resultant output and dominant forcing parameters. Comparisons of barotropic model simulations and HFR tidal signal demonstrate consistently high agreement, particularly of the dominant M2 tidal signal. Analysis of residual flows demonstrate considerably poorer agreement, with the model failing to replicate complex flows. A number of hypotheses explaining this discrepancy are discussed, namely: discrepancies between regional-scale, coastal-ocean models and globally-influenced bay-scale dynamics; model uncertainties arising from highly-variable wind-driven flows across alarge body of water forced by point measurements of wind vectors; and the high dependence of model simulations on empirical wind-stress coefficients. The research demonstrates that an advanced, widely-used hydro-environmental model does not accurately reproduce aspects of surface flow processes, particularly with regards wind forcing. Considering the significance of surface boundary conditions in both coastal and open ocean dynamics, the viability of using a systematic analysis of results to improve model predictions is discussed.

A New Strategy for Humidity Independent Oxide Chemiresistors: Dynamic Self-Refreshing of In2 O3 Sensing Surface Assisted by Layer-by-Layer Coated CeO2 Nanoclusters.

PubMed

Yoon, Ji-Wook; Kim, Jun-Sik; Kim, Tae-Hyung; Hong, Young Jun; Kang, Yun Chan; Lee, Jong-Heun

2016-08-01

The humidity dependence of the gas sensing characteristics of metal oxide semiconductors has been one of the greatest obstacles for gas sensor applications during the last five decades because ambient humidity dynamically changes with the environmental conditions. Herein, a new and novel strategy is reported to eliminate the humidity dependence of the gas sensing characteristics of oxide chemiresistors via dynamic self-refreshing of the sensing surface affected by water vapor chemisorption. The sensor resistance and gas response of pure In2 O3 hollow spheres significantly change and deteriorate in humid atmospheres. In contrast, the humidity dependence becomes negligible when an optimal concentration of CeO2 nanoclusters is uniformly loaded onto In2 O3 hollow spheres via layer-by-layer (LBL) assembly. Moreover, In2 O3 sensors LBL-coated with CeO2 nanoclusters show fast response/recovery, low detection limit (500 ppb), and high selectivity to acetone even in highly humid conditions (relative humidity 80%). The mechanism underlying the dynamic refreshing of the In2 O3 sensing surfaces regardless of humidity variation is investigated in relation to the role of CeO2 and the chemical interaction among CeO2 , In2 O3 , and water vapor. This strategy can be widely used to design high performance gas sensors including disease diagnosis via breath analysis and pollutant monitoring. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Analysis of leaf surfaces using scanning ion conductance microscopy.

PubMed

Walker, Shaun C; Allen, Stephanie; Bell, Gordon; Roberts, Clive J

2015-05-01

Leaf surfaces are highly complex functional systems with well defined chemistry and structure dictating the barrier and transport properties of the leaf cuticle. It is a significant imaging challenge to analyse the very thin and often complex wax-like leaf cuticle morphology in their natural state. Scanning electron microscopy (SEM) and to a lesser extent Atomic force microscopy are techniques that have been used to study the leaf surface but their remains information that is difficult to obtain via these approaches. SEM is able to produce highly detailed and high-resolution images needed to study leaf structures at the submicron level. It typically operates in a vacuum or low pressure environment and as a consequence is generally unable to deal with the in situ analysis of dynamic surface events at submicron scales. Atomic force microscopy also possess the high-resolution imaging required and can follow dynamic events in ambient and liquid environments, but can over exaggerate small features and cannot image most leaf surfaces due to their inherent roughness at the micron scale. Scanning ion conductance microscopy (SICM), which operates in a liquid environment, provides a potential complementary analytical approach able to address these issues and which is yet to be explored for studying leaf surfaces. Here we illustrate the potential of SICM on various leaf surfaces and compare the data to SEM and atomic force microscopy images on the same samples. In achieving successful imaging we also show that SICM can be used to study the wetting of hydrophobic surfaces in situ. This has potentially wider implications than the study of leaves alone as surface wetting phenomena are important in a range of fundamental and applied studies. © 2015 The Authors Journal of Microscopy © 2015 Royal Microscopical Society.

Interferometer for measuring dynamic corneal topography

NASA Astrophysics Data System (ADS)

Micali, Jason Daniel

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

An Isopycnal Box Model with predictive deep-ocean structure for biogeochemical cycling applications

NASA Astrophysics Data System (ADS)

Goodwin, Philip

2012-07-01

To simulate global ocean biogeochemical tracer budgets a model must accurately determine both the volume and surface origins of each water-mass. Water-mass volumes are dynamically linked to the ocean circulation in General Circulation Models, but at the cost of high computational load. In computationally efficient Box Models the water-mass volumes are simply prescribed and do not vary when the circulation transport rates or water mass densities are perturbed. A new computationally efficient Isopycnal Box Model is presented in which the sub-surface box volumes are internally calculated from the prescribed circulation using a diffusive conceptual model of the thermocline, in which upwelling of cold dense water is balanced by a downward diffusion of heat. The volumes of the sub-surface boxes are set so that the density stratification satisfies an assumed link between diapycnal diffusivity, κd, and buoyancy frequency, N: κd = c/(Nα), where c and α are user prescribed parameters. In contrast to conventional Box Models, the volumes of the sub-surface ocean boxes in the Isopycnal Box Model are dynamically linked to circulation, and automatically respond to circulation perturbations. This dynamical link allows an important facet of ocean biogeochemical cycling to be simulated in a highly computationally efficient model framework.

Free-Surface flow dynamics and its effect on travel time distribution in unsaturated fractured zones - findings from analogue percolation experiments

NASA Astrophysics Data System (ADS)

Noffz, Torsten; Kordilla, Jannes; Dentz, Marco; Sauter, Martin

2017-04-01

Flow in unsaturated fracture networks constitutes a high potential for rapid mass transport and can therefore possibly contributes to the vulnerability of aquifer systems. Numerical models are generally used to predict flow and transport and have to reproduce various complex effects of gravity-driven flow dynamics. However, many classical volume-effective modelling approaches often do not grasp the non-linear free surface flow dynamics and partitioning behaviour at fracture intersections in unsaturated fracture networks. Better process understanding can be obtained by laboratory experiments, that isolate single aspects of the mass partitioning process, which influence travel time distributions and allow possible cross-scale applications. We present a series of percolation experiments investigating partitioning dynamics of unsaturated multiphase flow at an individual horizontal fracture intersection. A high precision multichannel dispenser is used to establish gravity-driven free surface flow on a smooth and vertical PMMA (poly(methyl methacrylate)) surface at rates ranging from 1.5 to 4.5 mL/min to obtain various flow modes (droplets; rivulets). Cubes with dimensions 20 x 20 x 20 cm are used to create a set of simple geometries. A digital balance provides continuous real-time cumulative mass bypassing the network. The influence of variable flow rate, atmospheric pressure and temperature on the stability of flow modes is shown in single-inlet experiments. Droplet and rivulet flow are delineated and a transition zone exhibiting mixed flow modes can be determined. Furthermore, multi-inlet setups with constant total inflow rates are used to reduce variance and the effect of erratic free-surface flow dynamics. Investigated parameters include: variable aperture widths df, horizontal offsets dv of the vertical fracture surface and alternating injection methods for both droplet and rivulet flow. Repetitive structures with several horizontal fractures extend arrival times but also complexity and variance. Finally, impacts of variable geometric features and flow modes on partitioning dynamics are highlighted by normalized fracture inflow rates. For higher flow rates, i.e. rivulet flows dominates, the effectiveness of filling horizontal fractures strongly increases. We demonstrate that the filling can be described by plug flow, which transitions into a Washburn-type flow at later times, and derive an analytical solution for the case of rivulet flows. Droplet flow dominated flow experiments exhibit a high bypass efficiency, which cannot be described by plug-flow, however, they also transition into a Washburn stage.

The dynamics of a surface plasma generated by an independent source in the field of laser emission

NASA Astrophysics Data System (ADS)

Kovalev, A. S.; Popov, A. M.; Seleznev, B. V.; Feoktistov, V. A.

1986-09-01

A study is made of the evolution of a plasma formation generated by a high-power short pulse of an Nd laser on a metal surface, with the relatively weak emission of a CO2 laser focused on the surface. The thresholds of a sustained breakdown plasma are measured as a function of the plasma-generating pulse energy. The dynamics of plasma front propagation along the target surface and in the direction opposite to the laser beam direction is investigated. It is shown that the use of an additional laser with an energy less than that of the CO2 laser by 2-3 orders of magnitude makes it possible to generate a surface plasma capable of absorbing and transferring to the target a significantly greater fraction of the CO2 laser energy.

Using Amphiphilic Nanostructures to Enable Long-Range Ensemble Coalescence and Surface Rejuvenation in Dropwise Condensation

DTIC Science & Technology

2012-01-01

in high-humidity environments. Nature-inspired superhydrophobic surfaces have been actively explored to enhance heat and mass transfer rates by...challenge with superhydrophobic surfaces, as observed in nature on the lotus leaf21 and on synthetic surfaces,22,23 is that they are often rendered...Dynamics. Rev. Mod. Phys. 1985, 57, 827–863. 2. Kim, S. H. Fabrication of Superhydrophobic Surfaces. J. Adhes. Sci. Technol. 2008, 22, 235–250. 3

Numerical Simulation of Rolling-Airframes Using a Multi-Level Cartesian Method

NASA Technical Reports Server (NTRS)

Murman, Scott M.; Aftosmis, Michael J.; Berger, Marsha J.; Kwak, Dochan (Technical Monitor)

2002-01-01

A supersonic rolling missile with two synchronous canard control surfaces is analyzed using an automated, inviscid, Cartesian method. Sequential-static and time-dependent dynamic simulations of the complete motion are computed for canard dither schedules for level flight, pitch, and yaw maneuver. The dynamic simulations are compared directly against both high-resolution viscous simulations and relevant experimental data, and are also utilized to compute dynamic stability derivatives. The results show that both the body roll rate and canard dither motion influence the roll-averaged forces and moments on the body. At the relatively, low roll rates analyzed in the current work these dynamic effects are modest, however the dynamic computations are effective in predicting the dynamic stability derivatives which can be significant for highly-maneuverable missiles.

Droplet impact on soft viscoelastic surfaces.

PubMed

Chen, Longquan; Bonaccurso, Elmar; Deng, Peigang; Zhang, Haibo

2016-12-01

In this work, we experimentally investigate the impact of water droplets onto soft viscoelastic surfaces with a wide range of impact velocities. Several impact phenomena, which depend on the dynamic interaction between the droplets and viscoelastic surfaces, have been identified and analyzed. At low We, complete rebound is observed when the impact velocity is between a lower and an upper threshold, beyond which droplets are deposited on the surface after impact. At intermediate We, entrapment of an air bubble inside the impinging droplets is found on soft surfaces, while a bubble entrapment on the surface is observed on rigid surfaces. At high We, partial rebound is only identified on the most rigid surface at We≳92. Rebounding droplets behave similarly to elastic drops rebounding on superhydrophobic surfaces and the impact process is independent of surface viscoelasticity. Further, surface viscoelasticity does not influence drop spreading after impact-as the surfaces behave like rigid surfaces-but it does affect drop recoiling. Also, the postimpact drop oscillation on soft viscoelastic surfaces is influenced by dynamic wettability of these surfaces. Comparing sessile drop oscillation with a damped harmonic oscillator allows us to conclude that surface viscoelasticity affects the damping coefficient and liquid surface tension sets the spring constant of the system.

Application of 3D Laser Scanning Technology in Inspection and Dynamic Reserves Detection of Open-Pit Mine

NASA Astrophysics Data System (ADS)

Hu, Zhumin; Wei, Shiyu; Jiang, Jun

2017-10-01

The traditional open-pit mine mining rights verification and dynamic reserve detection means rely on the total station and RTK to collect the results of the turning point coordinates of mining surface contours. It resulted in obtaining the results of low precision and large error in the means that is limited by the traditional measurement equipment accuracy and measurement methods. The three-dimensional scanning technology can obtain the three-dimensional coordinate data of the surface of the measured object in a large area at high resolution. This paper expounds the commonly used application of 3D scanning technology in the inspection and dynamic reserve detection of open mine mining rights.

Dynamic Pattern Formation in Electron-Beam-Induced Etching [Emergent formation of dynamic topographic patterns in electron beam induced etching

DOE PAGES

Martin, Aiden A.; Bahm, Alan; Bishop, James; ...

2015-12-15

Here, we report highly ordered topographic patterns that form on the surface of diamond, span multiple length scales, and have a symmetry controlled by the precursor gas species used in electron-beam-induced etching (EBIE). The pattern formation dynamics reveals an etch rate anisotropy and an electron energy transfer pathway that is overlooked by existing EBIE models. Therefore, we, modify established theory such that it explains our results and remains universally applicable to EBIE. Furthermore, the patterns can be exploited in controlled wetting, optical structuring, and other emerging applications that require nano- and microscale surface texturing of a wide band-gap material.

State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

PubMed

Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

2013-10-07

The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

[3D visualization and analysis of vocal fold dynamics].

PubMed

Bohr, C; Döllinger, M; Kniesburges, S; Traxdorf, M

2016-04-01

Visual investigation methods of the larynx mainly allow for the two-dimensional presentation of the three-dimensional structures of the vocal fold dynamics. The vertical component of the vocal fold dynamics is often neglected, yielding a loss of information. The latest studies show that the vertical dynamic components are in the range of the medio-lateral dynamics and play a significant role within the phonation process. This work presents a method for future 3D reconstruction and visualization of endoscopically recorded vocal fold dynamics. The setup contains a high-speed camera (HSC) and a laser projection system (LPS). The LPS projects a regular grid on the vocal fold surfaces and in combination with the HSC allows a three-dimensional reconstruction of the vocal fold surface. Hence, quantitative information on displacements and velocities can be provided. The applicability of the method is presented for one ex-vivo human larynx, one ex-vivo porcine larynx and one synthetic silicone larynx. The setup introduced allows the reconstruction of the entire visible vocal fold surfaces for each oscillation status. This enables a detailed analysis of the three dimensional dynamics (i. e. displacements, velocities, accelerations) of the vocal folds. The next goal is the miniaturization of the LPS to allow clinical in-vivo analysis in humans. We anticipate new insight on dependencies between 3D dynamic behavior and the quality of the acoustic outcome for healthy and disordered phonation.

Spatially Distributed Assimilation of Remotely Sensed Leaf Area Index and Potential Evapotranspiration for Hydrologic Modeling in Wetland Landscapes

EPA Science Inventory

Evapotranspiration (ET), a highly dynamic flux in wetland landscapes, regulates the accuracy of surface/sub-surface runoff simulation in a hydrologic model. However, considerable uncertainty in simulating ET-related processes remains, including our limited ability to incorporate ...

Nocturnal Near-Surface Temperature, but not Flow Dynamics, can be Predicted by Microtopography in a Mid-Range Mountain Valley

NASA Astrophysics Data System (ADS)

Pfister, Lena; Sigmund, Armin; Olesch, Johannes; Thomas, Christoph K.

2017-11-01

We investigate nocturnal flow dynamics and temperature behaviour near the surface of a 170-m long gentle slope in a mid-range mountain valley. In contrast to many existing studies focusing on locations with significant topographic variations, gentle slopes cover a greater spatial extent of the Earth's surface. Air temperatures were measured using the high-resolution distributed-temperature-sensing method within a two-dimensional fibre-optic array in the lowest metre above the surface. The main objectives are to characterize the spatio-temporal patterns in the near-surface temperature and flow dynamics, and quantify their responses to the microtopography and land cover. For the duration of the experiment, including even clear-sky nights with weak winds and strong radiative forcing, the classical cold-air drainage predicted by theory could not be detected. In contrast, we show that the airflow for the two dominant flow modes originates non-locally. The most abundant flow mode is characterized by vertically-decoupled layers featuring a near-surface flow perpendicular to the slope and strong stable stratification, which contradicts the expectation of a gravity-driven downslope flow of locally produced cold air. Differences in microtopography and land cover clearly affect spatio-temporal temperature perturbations. The second most abundant flow mode is characterized by strong mixing, leading to vertical coupling with airflow directed down the local slope. Here variations of microtopography and land cover lead to negligible near-surface temperature perturbations. We conclude that spatio-temporal temperature perturbations, but not flow dynamics, can be predicted by microtopography, which complicates the prediction of advective-heat components and the existence and dynamics of cold-air pools in gently sloped terrain in the absence of observations.

Live Imaging of Kv7.2/7.3 Cell Surface Dynamics at the Axon Initial Segment: High Steady-State Stability and Calpain-Dependent Excitotoxic Downregulation Revealed.

PubMed

Benned-Jensen, Tau; Christensen, Rasmus Kordt; Denti, Federico; Perrier, Jean-Francois; Rasmussen, Hanne Borger; Olesen, Søren-Peter

2016-02-17

The voltage-gated K(+) channels Kv7.2 and Kv7.3 are located at the axon initial segment (AIS) and exert strong control over action potential generation. Therefore, changes in their localization or cell surface numbers are likely to influence neuronal signaling. However, nothing is known about the cell surface dynamics of Kv7.2/7.3 at steady state or during short-term neuronal stimulation. This is primarily attributable to their membrane topology, which hampers extracellular epitope tagging. Here we circumvent this limitation by fusing an extra phluorin-tagged helix to the N terminus of human Kv7.3. This seven transmembrane chimera, named super ecliptic phluorin (SEP)-TAC-7.3, functions and traffics as a wild-type (WT) channel. We expressed SEP-TAC-7.3 in dissociated rat hippocampal neurons to examine the lateral mobility, surface numbers, and localization of AIS Kv7.2/7.3 heteromers using live imaging. We discovered that they are extraordinarily stable and exhibit a very low surface mobility both during steady state and neuronal stimulation. In the latter case, we also found that neither localization nor cell surface numbers were changed. However, at high glutamate loads, we observed a rapid irreversible endocytosis of Kv7.2/7.3, which required the activation of NR2B-containing NMDA receptors, Ca(2+) influx, and calpain activation. This excitotoxic mechanism may be specific to ankyrin G-bound AIS proteins because Nav1.2 channels, but not AIS GABAA receptors, were also endocytosed. In conclusion, we have, for the first time, characterized the cell surface dynamics of a full-length Kv7 channel using a novel chimeric strategy. This approach is likely also applicable to other Kv channels and thus of value for the additional characterization of this ion channel subfamily. The voltage-gated K(+) channels Kv7.2 and Kv7.3 exert strong control over action potential generation, but little is known about their cell surface dynamics. Using a novel phluorin-based approach, we here show that these channels are highly stable at steady state and different types of neuronal stimulation. However, at high glutamate loads, they undergo a rapid calpain-dependent endocytosis that likely represents an early response during excitotoxic states. Copyright © 2016 the authors 0270-6474/16/362261-06$15.00/0.

Effect of water table dynamics on land surface hydrologic memory

NASA Astrophysics Data System (ADS)

Lo, Min-Hui; Famiglietti, James S.

2010-11-01

The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.

Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Nakajima, Kaoru; Nakanishi, Shunto; Chval, Zdeněk; Lísal, Martin; Kimura, Kenji

2016-11-01

Surface structure of equimolar mixture of 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([C2C1Im][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2C1Im][BF4]) is studied using high-resolution Rutherford backscattering spectroscopy (HRBS) and molecular dynamics (MD) simulations. Both HRBS and MD simulations show enrichment of [Tf2N] in the first molecular layer although the degree of enrichment observed by HRBS is more pronounced than that predicted by the MD simulation. In the subsurface region, MD simulation shows a small depletion of [Tf2N] while HRBS shows a small enrichment here. This discrepancy is partially attributed to the artifact of the MD simulations. Since the number of each ion is fixed in a finite-size simulation box, surface enrichment of particular ion results in its artificial depletion in the subsurface region.

Linear ultrafast dynamics of plasmon and magnetic resonances in nanoparticles

NASA Astrophysics Data System (ADS)

Lazzarini, Carlo Maria; Tadzio, Levato; Fitzgerald, Jamie M.; Sánchez-Gil, José A.; Giannini, Vincenzo

2017-12-01

In this study we present an analytical description of the ultrafast localized surface plasmon and magnetic resonance dynamics in a single nanoparticle (Ag or Si), driven by an ultrashort (fs time scale) Gaussian pulse. Three possible scenarios have been found depending on the incident field, i.e., pulse duration much shorter than, similar to, and much longer than the localized surface plasmon resonance (LSPR) lifetime. A rich physics arises for τpulse<τLSPR , even in the linear regime. The surface plasmon dynamics is manifested as (i) a temporal delay of the surface plasmon excitation with regard to the freely propagating pulse and as (ii) a negative exponential tail after the exciting pulse is over. In addition, for sub-fs pulses clear oscillations in the near-field decay have been observed. A similar scenario has been observed considering a nonabsorbing Si sphere. Nanoparticle resonance dynamics may lead to a wealth of new phenomena and applications in nanophotonics such as multipole order resonance interference, pulse-induced delay or temporal shaping on the fs scale, high harmonic generation, attosecond near-field pulse sources, and electron acceleration from metasurface or 3D engineered nanostructures.

Atomistic and molecular effects in electric double layers at high surface charges

DOE PAGES

Templeton, Jeremy Alan; Lee, Jonathan; Mani, Ali

2015-06-16

Here, the Poisson–Boltzmann theory for electrolytes near a charged surface is known to be invalid due to unaccounted physics associated with high ion concentration regimes. In order to investigate this regime, fluids density functional theory (f-DFT) and molecular dynamics (MD) simulations were used to determine electric surface potential as a function of surface charge. Based on these detailed computations, for electrolytes with nonpolar solvent, the surface potential is shown to depend quadratically on the surface charge in the high charge limit. We demonstrate that modified Poisson–Boltzmann theories can model this limit if they are augmented with atomic packing densities providedmore » by MD. However, when the solvent is a highly polar molecule water an intermediate regime is identified in which a constant capacitance is realized. Simulation results demonstrate the mechanism underlying this regime, and for the salt water system studied here, it persists throughout the range of physically realistic surface charge densities so the potential’s quadratic surface charge dependence is not obtained.« less

Interactions of polymer surfaces and thin films

NASA Astrophysics Data System (ADS)

Zeng, Hongbo

2007-12-01

Characterization of the adhesion, tribological properties and dynamics of polymer surfaces has been of great interest for many years since polymers are commonly used as adhesive and lubricant coatings to produce both high and low adhesion or friction. Improving our fundamental understanding of the interactions of polymer surfaces at the molecular level is needed to develop further techniques in materials science and chemical engineering. The objectives of my research were to correlate the nano- and micro-scale properties of various polymer thin film and surface phenomena: adhesion, adhesion hysteresis, friction, lubrication, surface deformations, coalescence, spreading, and wear, and identify the fundamental physical forces and mechanisms at the molecular and micro-scales. I studied the adhesion of polymer films at temperatures ranging from below to above the glass transition temperature, Tg. The adhesion hysteresis was found to peak somewhere around Tg, but to also depend on the load, contact time and detachment rate. The results revealed some new scaling relations for the dynamic (rate-dependent) adhesion forces and effective surface energies of polymers. I studied the way polymer surfaces deform during adhesion (coalescence), spreading (wetting) and separation (detachment, rupture, fracture and failure) processes, and characterized the differences (and transition) between liquid-like and solid-like behavior during these processes, e.g., the transition from liquid-to-viscoelastic-to-ductile-to-brittle behavior. Complex and novel transient (dynamic) surface shape changes were found to occur during transitions that involved highly-ordered or disordered fingers, ripples, waves or cracks. A full picture has emerged for the transition from viscous liquid-like to brittle solid-like behavior of adhering and detaching interfaces. Finally, I developed a new experiment technique whereby an electric field can be applied across the two surfaces in a Surface Force Apparatus for the first time, and two types of experiments were performed to measure the normal and/or lateral forces between two surfaces under an E-field.

Static and dynamic crystalline lens accommodation evaluated using quantitative 3-D OCT.

PubMed

Gambra, Enrique; Ortiz, Sergio; Perez-Merino, Pablo; Gora, Michalina; Wojtkowski, Maciej; Marcos, Susana

2013-01-01

Custom high-resolution high-speed anterior segment spectral domain Optical Coherence Tomography (OCT) provided with automatic quantification and distortion correction algorithms was used to characterize three-dimensionally (3-D) the human crystalline lens in vivo in four subjects, for accommodative demands between 0 to 6 D in 1 D steps. Anterior and posterior lens radii of curvature decreased with accommodative demand at rates of 0.73 and 0.20 mm/D, resulting in an increase of the estimated optical power of the eye of 0.62 D per diopter of accommodative demand. Dynamic fluctuations in crystalline lens radii of curvature, anterior chamber depth and lens thickness were also estimated from dynamic 2-D OCT images (14 Hz), acquired during 5-s of steady fixation, for different accommodative demands. Estimates of the eye power from dynamical geometrical measurements revealed an increase of the fluctuations of the accommodative response from 0.07 D to 0.47 D between 0 and 6 D (0.044 D per D of accommodative demand). A sensitivity analysis showed that the fluctuations of accommodation were driven by dynamic changes in the lens surfaces, particularly in the posterior lens surface.

Static and dynamic crystalline lens accommodation evaluated using quantitative 3-D OCT

PubMed Central

Gambra, Enrique; Ortiz, Sergio; Perez-Merino, Pablo; Gora, Michalina; Wojtkowski, Maciej; Marcos, Susana

2013-01-01

Custom high-resolution high-speed anterior segment spectral domain Optical Coherence Tomography (OCT) provided with automatic quantification and distortion correction algorithms was used to characterize three-dimensionally (3-D) the human crystalline lens in vivo in four subjects, for accommodative demands between 0 to 6 D in 1 D steps. Anterior and posterior lens radii of curvature decreased with accommodative demand at rates of 0.73 and 0.20 mm/D, resulting in an increase of the estimated optical power of the eye of 0.62 D per diopter of accommodative demand. Dynamic fluctuations in crystalline lens radii of curvature, anterior chamber depth and lens thickness were also estimated from dynamic 2-D OCT images (14 Hz), acquired during 5-s of steady fixation, for different accommodative demands. Estimates of the eye power from dynamical geometrical measurements revealed an increase of the fluctuations of the accommodative response from 0.07 D to 0.47 D between 0 and 6 D (0.044 D per D of accommodative demand). A sensitivity analysis showed that the fluctuations of accommodation were driven by dynamic changes in the lens surfaces, particularly in the posterior lens surface. PMID:24049680

Dynamic analysis of spiral bevel and hypoid gears with high-order transmission errors

NASA Astrophysics Data System (ADS)

Yang, J. J.; Shi, Z. H.; Zhang, H.; Li, T. X.; Nie, S. W.; Wei, B. Y.

2018-03-01

A new gear surface modification methodology based on curvature synthesis is proposed in this study to improve the transmission performance. The generated high-order transmission error (TE) for spiral bevel and hypoid gears is proved to reduce the vibration of geared-rotor system. The method is comprised of the following steps: Firstly, the fully conjugate gear surfaces with pinion flank modified according to the predesigned relative transmission movement are established based on curvature correction. Secondly, a 14-DOF geared-rotor system model considering backlash nonlinearity is used to evaluate the effect of different orders of TE on the dynamic performance a hypoid gear transmission system. For case study, numerical simulation is performed to illustrate the dynamic response of hypoid gear pair with parabolic, fourth-order and sixth-order transmission error derived. The results show that the parabolic TE curve has higher peak to peak amplitude compared to the other two types of TE. Thus, the excited dynamic response also shows larger amplitude at response peaks. Dynamic responses excited by fourth and sixth order TE also demonstrate distinct response components due to their different TE period which is expected to generate different sound quality or other acoustic characteristics.

Use of advanced earth observation tools for the analyses of recent surface changes in Kalahari pans and Namibian coastal lagoons

NASA Astrophysics Data System (ADS)

Behling, Robert; Milewski, Robert; Chabrillat, Sabine; Völkel, Jörg

2016-04-01

The remote sensing analyses in the BMBF-SPACES collaborative project Geoarchives - Signals of Climate and Landscape Change preserved in Southern African Geoarchives - focuses on the use of recent and upcoming Earth Observation Tools for the study of climate and land use changes and its impact on the ecosystem. It aims at demonstrating the potential of recently available advanced optical remote sensing imagery with its extended spectral coverage and temporal resolution for the identification and mapping of sediment features associated with paleo-environmental archives as well as their recent dynamic. In this study we focus on the analyses of two ecosystems of major interest, the Kalahari salt pans as well as the lagoons at Namibia's west coast, that present high dynamic caused by combined hydrological and surface processes linked to climatic events. Multitemporal remote sensing techniques allow us to derive the recent surface dynamic of the salt pans and also provide opportunities to get a detailed understanding of the spatiotemporal development of the coastal lagoons. Furthermore spaceborne hyperspectral analysis can give insight to the current surface mineralogy of the salt pans on a physical basis and provide the intra pan distribution of evaporites. The soils and sediments of the Kalahari salt pans such as the Omongwa pan are a potentially significant storage of global carbon and also function as an important terrestrial climate archive. Thus far the surface distribution of evaporites have been only assessed mono-temporally and on a coarse regional scale, but the dynamic of the salt pans, especially the formation of evaporites, is still uncertain and poorly understood. For the salt pan analyses a change detection is applied using the Iterative-reweighted Multivariate Alteration Detection (IR-MAD) method to identify and investigate surface changes based on a Landsat time-series covering the period 1984-2015. Furthermore the current spatial distribution of evaporites is obtained using of EO-1 Hyperion hyperspectral imagery linked with geochemical field data. Results reveal a highly heterogeneous dynamic of the pan surface, which seems to be associated with varying surface crust types, halite or gypsum dominated. The lagoons at Namibia's west coast such as of Sandwich Harbour and Walvis Bay, are important habitats and also serve as a natural barrier to protect shipping and ports on an otherwise inhospitable coastline. Several studies have shown that these lagoons are highly dynamic and are known to have altered their shape in historical time. These changes occur due to sediment transport forced by aeolian processes or either by longshore or cross-shore drifts. A profound understanding of the spatiotemporal variations in the sand spits is of high relevance. In the lagoon environment the Landsat time-series is used to separate sand spits from open water. This way, changes in morphology of the sand spit are identified over time. The results reveal the presence of long-term and short-term changes as well as the presence of stable parts in the sand spits. These findings are linked to temporal patterns of forcing processes such as wind, tidal and ocean current data.

Enhanced Arctic Mean Sea Surface and Mean Dynamic Topography including retracked CryoSat-2 Data

NASA Astrophysics Data System (ADS)

Andersen, O. B.; Jain, M.; Stenseng, L.; Knudsen, P.

2014-12-01

A reliable mean sea surface (MSS) is essential to derive a good mean dynamic topography (MDT) and for the estimation of short and long-term changes in the sea surface. The lack of satellite radar altimetry observations above 82 degrees latitude means that existing mean sea surface models have been unreliable in the Arctic Ocean. We here present the latest DTU mean sea surface and mean dynamic topography models combining conventional altimetry with retracked CryoSat-2 data to improve the reliability in the Arctic Ocean. For the derivation of a mean dynamic topography the ESA GOCE derived geoid model have been used to constrain the longer wavelength. We present the retracking of C2 SAR data using various retrackes and how we have been able to combine data from various retrackers under various sea ice conditions. DTU13MSS and DTU13MDT are the newest state of the art global high-resolution models including CryoSat-2 data to extend the satellite radar altimetry coverage up to 88 degrees latitude and through combination with a GOCE geoid model completes coverage all the way to the North Pole. Furthermore the SAR and SARin capability of CryoSat-2 dramatically increases the amount of useable sea surface returns in sea-ice covered areas compared to conventional radar altimeters like ENVISAT and ERS-1/2. With the inclusion of CryoSat-2 data the new mean sea surface is improved by more than 20 cm above 82 degrees latitude compared with the previous generation of mean sea surfaces.

Ordered water structure at hydrophobic graphite interfaces observed by 4D, ultrafast electron crystallography

PubMed Central

Yang, Ding-Shyue; Zewail, Ahmed H.

2009-01-01

Interfacial water has unique properties in various functions. Here, using 4-dimensional (4D), ultrafast electron crystallography with atomic-scale spatial and temporal resolution, we report study of structure and dynamics of interfacial water assembly on a hydrophobic surface. Structurally, vertically stacked bilayers on highly oriented pyrolytic graphite surface were determined to be ordered, contrary to the expectation that the strong hydrogen bonding of water on hydrophobic surfaces would dominate with suppressed interfacial order. Because of its terrace morphology, graphite plays the role of a template. The dynamics is also surprising. After the excitation of graphite by an ultrafast infrared pulse, the interfacial ice structure undergoes nonequilibrium “phase transformation” identified in the hydrogen-bond network through the observation of structural isosbestic point. We provide the time scales involved, the nature of ice-graphite structural dynamics, and relevance to properties related to confined water. PMID:19246378

Coadsorbate-Induced Reversal of Solid-Liquid Interface Dynamics.

PubMed

Rahn, Björn; Wen, Rui; Deuchler, Lukas; Stremme, Johannes; Franke, Andreas; Pehlke, Eckhard; Magnussen, Olaf M

2018-05-22

Coadsorbed anions are well-known to influence surface reactivity and dynamics at solid-liquid interfaces. Here we demonstrate that the chemical nature of these spectator species can entirely determine the microscopic dynamic behavior. Quantitative in situ video-STM data on the surface diffusion of adsorbed sulfur atoms on Cu(100) electrodes in aqueous solution covered by bromide and chloride spectators, respectively, reveal in both cases a strong exponential potential dependence, but with opposite sign. This reversal is highly surprising in view of the isostructural adsorbate arrangement in the two systems. Detailed DFT studies suggest an anion-induced difference in the sulfur diffusion mechanism, specifically an exchange diffusion on the Br-covered surface. Experimental evidence for the latter is provided by the observation of Cu vacancy formation in the Br system, which can be rationalized by a side reaction of the sulfur exchange diffusion. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Well-tempered metadynamics as a tool for characterizing multi-component, crystalline molecular machines.

PubMed

Ilott, Andrew J; Palucha, Sebastian; Hodgkinson, Paul; Wilson, Mark R

2013-10-10

The well-tempered, smoothly converging form of the metadynamics algorithm has been implemented in classical molecular dynamics simulations and used to obtain an estimate of the free energy surface explored by the molecular rotations in the plastic crystal, octafluoronaphthalene. The biased simulations explore the full energy surface extremely efficiently, more than 4 orders of magnitude faster than unbiased molecular dynamics runs. The metadynamics collective variables used have also been expanded to include the simultaneous orientations of three neighboring octafluoronaphthalene molecules. Analysis of the resultant three-dimensional free energy surface, which is sampled to a very high degree despite its significant complexity, demonstrates that there are strong correlations between the molecular orientations. Although this correlated motion is of limited applicability in terms of exploiting dynamical motion in octafluoronaphthalene, the approach used is extremely well suited to the investigation of the function of crystalline molecular machines.

Prediction of Viking lander camera image quality

NASA Technical Reports Server (NTRS)

Huck, F. O.; Burcher, E. E.; Jobson, D. J.; Wall, S. D.

1976-01-01

Formulations are presented that permit prediction of image quality as a function of camera performance, surface radiance properties, and lighting and viewing geometry. Predictions made for a wide range of surface radiance properties reveal that image quality depends strongly on proper camera dynamic range command and on favorable lighting and viewing geometry. Proper camera dynamic range commands depend mostly on the surface albedo that will be encountered. Favorable lighting and viewing geometries depend mostly on lander orientation with respect to the diurnal sun path over the landing site, and tend to be independent of surface albedo and illumination scattering function. Side lighting with low sun elevation angles (10 to 30 deg) is generally favorable for imaging spatial details and slopes, whereas high sun elevation angles are favorable for measuring spectral reflectances.

Theoretical and Experimental Studies in Reactive Scattering.

DTIC Science & Technology

1986-08-11

dynamics 3. Three-dimensional reaction dynamics 4. Anisotropic potentials for He + C02, OCS, CS2 .. 5. Production of a high intensity-high energy beam of...involving beams of He atoms, H atoms and metastable H molecules aimed at the determination of potential energy surfaces involving these systems. 2... energy of 0.3 ’, Kcal/mole below the top of the barrier, the reaction probability from ground S"t vibrational state reagent to ground vibrational

Plate Like Convection with Viscous Strain Weakening and Corresponding Surface Deformation Pattern

NASA Astrophysics Data System (ADS)

Fuchs, L.; Becker, T. W.

2017-12-01

How plate tectonic surface motions are generated by mantle convection on Earth and possibly other terrestrial type planets has recently become more readily accessible with fully dynamic convection computations. However, it remains debated how plate-like the behavior in such models truly is, and in particular how the well plate boundary dynamics are captured in models which typically exclude the effects of deformation history and memory. Here, we analyze some of the effects of viscous strain weakening on plate behavior and the interactions between interior convection dynamics and surface deformation patterns. We use the finite element code CitcomCU to model convection in a 3D Cartesian model setup. The models are internally heated, with an Arrhenius-type temperature dependent viscosity including plastic yielding and viscous strain weakening (VSW) and healing (VSWH). VSW can mimic first order features of more complex damage mechanisms such as grain-size dependent rheology. Besides plate diagnostic parameters (Plateness, Mobility, and Toroidal: Poloidal ratio) to analyze the tectonic behavior our models, we also explore how "plate boundaries" link to convective patterns. In a first model series, we analyze general surface deformation patterns without VSW. In the early stages, deformation patterns are clearly co-located with up- and downwelling limbs of convection. Along downwellings strain-rates are high and localized, whereas upwellings tend to lead to broad zones of high deformation. At a more advanced stage, however, the plates' interior is highly deformed due to continuous strain accumulation and resurfaced inherited strain. Including only VSW leads to more localized deformation along downwellings. However, at a more advanced stage plate-like convection fails due an overall weakening of the material. This is prevented including strain healing. Deformation pattern at the surface more closely coincide with the internal convection patterns. The average surface deformation is reduced significantly and mainly governed by the location of the up- and downwellings. VSWH thereby affects plate dynamics due to two main properties: the intensity of weakening with increasing strain and the strain healing rate. As both increase, mobility increases as well and strain becomes more localized at the downwellings.

Quantifying Dynamic Changes on Surface of Comet 67P/Churyumov-Gerasimenko Using High-Resolution Photoclinometry DTMs

NASA Astrophysics Data System (ADS)

Tang, Y.; Birch, S.; Hayes, A.; Kirk, R. L.; Kutsop, N. W. S.; Squyres, S. W.

2017-12-01

Observations from ESA's Rosetta spacecraft of comet 67P/Churyumov-Gerasimenko (67P) have provided insights into the geological processes that act to modify the surface of a small, primitive body. The landscapes of 67P are shaped by both large scale violent changes, such as cliff collapses and jet events, as well as smaller and more subtle changes such as the formation of pits and ripples within the larger-scale granular deposits. Explosive jets are located through triangulating the same jet in multiple images. They appear to originate from locations close to numerous newly formed, small-scale pits, which were only observed after known jet events (for example, the jet observed on March 11th, 2015, in image N20150311T053737597ID30F22). This implies a possible link between these two dynamical processes. We generated high-resolution photoclinometric digital terrain models (DTM) of the surface of 67P (at 1.5m/pixel) in locations where recent jet events were observed and over surfaces where newly formed pits are observed. A comparison of DTMs generated of the surface both before and after the appearance of the pits provides insight to the magnitude of dynamical changes, including the volume of the ejected material. By tracking the change in the surface topography at such high resolution, we constrain both the volume of materials that are ejected from the surface during the jet event, and of materials that are retained in nearby deposits. By studying these events and their aftermath, it will be possible to formulate numerical models as to the formation of the jets and explain why and how they occur. We will use this information in conjunction with numerical modeling of the large-scale global transport of sedimentary materials on 67P, to facilitate a better understanding of cometary landscape evolution.

Dynamics of ice nucleation on water repellent surfaces.

PubMed

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

2012-02-14

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

Accurate prediction of complex free surface flow around a high speed craft using a single-phase level set method

NASA Astrophysics Data System (ADS)

Broglia, Riccardo; Durante, Danilo

2017-11-01

This paper focuses on the analysis of a challenging free surface flow problem involving a surface vessel moving at high speeds, or planing. The investigation is performed using a general purpose high Reynolds free surface solver developed at CNR-INSEAN. The methodology is based on a second order finite volume discretization of the unsteady Reynolds-averaged Navier-Stokes equations (Di Mascio et al. in A second order Godunov—type scheme for naval hydrodynamics, Kluwer Academic/Plenum Publishers, Dordrecht, pp 253-261, 2001; Proceedings of 16th international offshore and polar engineering conference, San Francisco, CA, USA, 2006; J Mar Sci Technol 14:19-29, 2009); air/water interface dynamics is accurately modeled by a non standard level set approach (Di Mascio et al. in Comput Fluids 36(5):868-886, 2007a), known as the single-phase level set method. In this algorithm the governing equations are solved only in the water phase, whereas the numerical domain in the air phase is used for a suitable extension of the fluid dynamic variables. The level set function is used to track the free surface evolution; dynamic boundary conditions are enforced directly on the interface. This approach allows to accurately predict the evolution of the free surface even in the presence of violent breaking waves phenomena, maintaining the interface sharp, without any need to smear out the fluid properties across the two phases. This paper is aimed at the prediction of the complex free-surface flow field generated by a deep-V planing boat at medium and high Froude numbers (from 0.6 up to 1.2). In the present work, the planing hull is treated as a two-degree-of-freedom rigid object. Flow field is characterized by the presence of thin water sheets, several energetic breaking waves and plungings. The computational results include convergence of the trim angle, sinkage and resistance under grid refinement; high-quality experimental data are used for the purposes of validation, allowing to compare the hydrodynamic forces and the attitudes assumed at different velocities. A very good agreement between numerical and experimental results demonstrates the reliability of the single-phase level set approach for the predictions of high Froude numbers flows.

Madrean pine-oak forest in Arizona: past dynamics, present problems

Treesearch

Andrew M. Barton

2008-01-01

This paper synthesizes research on presettlement dynamics and modern disruption of Madrean pine-oak forests in Arizona. In response to surface fires characteristic of presettlement times, pines were fire resistant, exhibiting high top-survival, whereas oaks were fire resilient, exhibiting lower top-survival but pronounced resprouting. Thus, low-severity fire favors...

From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H 2O ↔ HX + OH [X = F, Cl, and O( 3P)] Reactions

DOE PAGES

Li, Jun; Jiang, Bin; Song, Hongwei; ...

2015-04-17

Here, we survey the recent advances in theoretical understanding of quantum state resolved dynamics, using the title reactions as examples. It is shown that the progress was made possible by major developments in two areas. First, an accurate analytical representation of many high-level ab initio points over a large configuration space can now be made with high fidelity and the necessary permutation symmetry. The resulting full-dimensional global potential energy surfaces enable dynamical calculations using either quasi-classical trajectory or more importantly quantum mechanical methods. The second advance is the development of accurate and efficient quantum dynamical methods, which are necessary formore » providing a reliable treatment of quantum effects in reaction dynamics such as tunneling, resonances, and zero-point energy. The powerful combination of the two advances has allowed us to achieve a quantitatively accurate characterization of the reaction dynamics, which unveiled rich dynamical features such as steric steering, strong mode specificity, and bond selectivity. The dependence of reactivity on reactant modes can be rationalized by the recently proposed sudden vector projection model, which attributes the mode specificity and bond selectivity to the coupling of reactant modes with the reaction coordinate at the relevant transition state. The deeper insights provided by these theoretical studies have advanced our understanding of reaction dynamics to a new level.« less

Direct measurement of the propagation velocity of defects using coherent X-rays

DOE PAGES

Ulbrandt, Jeffrey G.; Rainville, Meliha G.; Wagenbach, Christa; ...

2016-03-28

The properties of artificially grown thin films are often strongly affected by the dynamic relationships between surface growth processes and subsurface structure. Coherent mixing of X-ray signals promises to provide an approach to better understand such processes. Here, we demonstrate the continuously variable mixing of surface and bulk scattering signals during realtime studies of sputter deposition of a-Si and a-WSi2 films by controlling the X-ray penetration and escape depths in coherent grazing-incidence small-angle X-ray scattering. Under conditions where the X-ray signal comes from both the growth surface and the thin film bulk, oscillations in temporal correlations arise from coherent interferencemore » between scattering from stationary bulk features and from the advancing surface. We also observe evidence that elongated bulk features propagate upwards at the same velocity as the surface. Moreover, a highly surface-sensitive mode is demonstrated that can access the surface dynamics independently of the subsurface structure.« less

Evaporation dynamics of completely wetting drops on geometrically textured surfaces

NASA Astrophysics Data System (ADS)

Mekhitarian, Loucine; Sobac, Benjamin; Dehaeck, Sam; Haut, Benoît; Colinet, Pierre

2017-10-01

This study deals with the evaporation dynamics of completely wetting and highly volatile drops deposited on geometrically textured but chemically homogeneous surfaces. The texturation consists in a cylindrical pillars array with a square pitch. The triple line dynamics and the drop shape are characterized by an interferometric method. A parametric study is realized by varying the radius and the height of the pillars (at fixed interpillar distance), allowing to distinguish three types of dynamics: i) an evaporation-dominated regime with a receding triple line; ii) a spreading-dominated regime with an initially advancing triple line; iii) a cross-over region with strong pinning effects. The overall picture is in qualitative agreement with a mathematical model showing that the selected regime mostly depends on the value of a dimensionless parameter comparing the time scales for evaporation and spreading into the substrate texture.

Some new results concerning the dynamic behavior of annular turbulent seals

NASA Technical Reports Server (NTRS)

Massmann, H.; Nordmann, R.

1985-01-01

The dynamic characteristics of annular turbulent seals applied in high pressure turbopumps can be described by stiffness, damping, and inertia coefficients. An improved procedure is presented for determining these parameters by using measurements made with newly developed test equipment. The dynamic system seal, consisting of the fluid between the cylindrical surfaces of the rotating shaft and the housing, is excited by test forces (input), and the relative motion between the surfaces (output) is measured. Transformation of the input and output time signals into the frequency domain leads to frequency response functions. An analytical model, depending on the seal parameters, is fitted to the measured data in order to identify the dynamic coefficients. Some new results are reported that show the dependencies of these coefficients with respect to the axial and radial Reynolds numbers and the geometrical data of the seal.

Hydration dynamics promote bacterial coexistence on rough surfaces

PubMed Central

Wang, Gang; Or, Dani

2013-01-01

Identification of mechanisms that promote and maintain the immense microbial diversity found in soil is a central challenge for contemporary microbial ecology. Quantitative tools for systematic integration of complex biophysical and trophic processes at spatial scales, relevant for individual cell interactions, are essential for making progress. We report a modeling study of competing bacterial populations cohabiting soil surfaces subjected to highly dynamic hydration conditions. The model explicitly tracks growth, motion and life histories of individual bacterial cells on surfaces spanning dynamic aqueous networks that shape heterogeneous nutrient fields. The range of hydration conditions that confer physical advantages for rapidly growing species and support competitive exclusion is surprisingly narrow. The rapid fragmentation of soil aqueous phase under most natural conditions suppresses bacterial growth and cell dispersion, thereby balancing conditions experienced by competing populations with diverse physiological traits. In addition, hydration fluctuations intensify localized interactions that promote coexistence through disproportional effects within densely populated regions during dry periods. Consequently, bacterial population dynamics is affected well beyond responses predicted from equivalent and uniform hydration conditions. New insights on hydration dynamics could be considered in future designs of soil bioremediation activities, affect longevity of dry food products, and advance basic understanding of bacterial diversity dynamics and its role in global biogeochemical cycles. PMID:23051694

Dimensionality of Carbon Nanomaterials Determines the Binding and Dynamics of Amyloidogenic Peptides: Multiscale Theoretical Simulations

PubMed Central

Hine, Nicholas D. M.; Mostofi, Arash A.; Yarovsky, Irene

2013-01-01

Experimental studies have demonstrated that nanoparticles can affect the rate of protein self-assembly, possibly interfering with the development of protein misfolding diseases such as Alzheimer's, Parkinson's and prion disease caused by aggregation and fibril formation of amyloid-prone proteins. We employ classical molecular dynamics simulations and large-scale density functional theory calculations to investigate the effects of nanomaterials on the structure, dynamics and binding of an amyloidogenic peptide apoC-II(60-70). We show that the binding affinity of this peptide to carbonaceous nanomaterials such as C60, nanotubes and graphene decreases with increasing nanoparticle curvature. Strong binding is facilitated by the large contact area available for π-stacking between the aromatic residues of the peptide and the extended surfaces of graphene and the nanotube. The highly curved fullerene surface exhibits reduced efficiency for π-stacking but promotes increased peptide dynamics. We postulate that the increase in conformational dynamics of the amyloid peptide can be unfavorable for the formation of fibril competent structures. In contrast, extended fibril forming peptide conformations are promoted by the nanotube and graphene surfaces which can provide a template for fibril-growth. PMID:24339760

Rupture dynamics along dipping thrust faults: free surface interaction and the case of Tohoku earthquake

NASA Astrophysics Data System (ADS)

Festa, Gaetano; Scala, Antonio; Vilotte, Jean-Pierre

2017-04-01

To address the influence of the free surface interaction on rupture propagating along subduction zones, we numerically investigate dynamic interactions, involving coupling between normal and shear tractions, between in-plane rupture propagating along dipping thrust faults and a free surface for different structural and geometrical conditions. When the rupture occurs along reverse fault with a dip angle different from 90° the symmetry is broken as an effect of slip-induced normal stress perturbations and a larger ground motion is evidenced on the hanging wall. The ground motion is amplified by multiple reflections of waves trapped between the fault and the free surface. This effect is shown to occur when the rupture tip lies on the vertical below the intersection between the S-wave front and the surface that is when waves along the surface start to interact with the rupture front. This interaction is associated with a finite region where the rupture advances in a massive regime preventing the shrinking of the process zone and the emission of high-frequency radiation. The smaller the dip angle the larger co-seismic slip in the shallow part as an effect of the significant break of symmetry. Radiation from shallow part is still depleted in high frequencies due to the massive propagating regime and the interaction length dominating the rupture dynamics. Instantaneous shear response to normal traction perturbations may lead to unstable solutions as in the case of bimaterial rupture. A parametric study has been performed to analyse the effects of a regularised shear traction response to normal traction variations. Finally the case of Tohoku earthquake is considered and we present 2D along-dip numerical results. At first order the larger slip close to the trench can be ascribed to the break of symmetry and the interaction with free surface. When shear/normal coupling is properly regularised the signal from the trench is depleted in high frequencies whereas during deep propagation high-frequency radiations emerge associated to geometrical and structural complexities or to frictional strength asperities.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Effects of incoming surface wind conditions on the wake characteristics and dynamic wind loads acting on a wind turbine model

NASA Astrophysics Data System (ADS)

Tian, Wei; Ozbay, Ahmet; Hu, Hui

2014-12-01

An experimental investigation was conducted to examine the effects of incoming surface wind conditions on the wake characteristics and dynamic wind loads acting on a wind turbine model. The experimental study was performed in a large-scale wind tunnel with a scaled three-blade Horizontal Axial Wind Turbine model placed in two different types of Atmospheric Boundary Layer (ABL) winds with distinct mean and turbulence characteristics. In addition to measuring dynamic wind loads acting on the model turbine by using a force-moment sensor, a high-resolution Particle Image Velocimetry system was used to achieve detailed flow field measurements to characterize the turbulent wake flows behind the model turbine. The measurement results reveal clearly that the discrepancies in the incoming surface winds would affect the wake characteristics and dynamic wind loads acting on the model turbine dramatically. The dynamic wind loads acting on the model turbine were found to fluctuate much more significantly, thereby, much larger fatigue loads, for the case with the wind turbine model sited in the incoming ABL wind with higher turbulence intensity levels. The turbulent kinetic energy and Reynolds stress levels in the wake behind the model turbine were also found to be significantly higher for the high turbulence inflow case, in comparison to those of the low turbulence inflow case. The flow characteristics in the turbine wake were found to be dominated by the formation, shedding, and breakdown of various unsteady wake vortices. In comparison with the case with relatively low turbulence intensities in the incoming ABL wind, much more turbulent and randomly shedding, faster dissipation, and earlier breakdown of the wake vortices were observed for the high turbulence inflow case, which would promote the vertical transport of kinetic energy by entraining more high-speed airflow from above to re-charge the wake flow and result in a much faster recovery of the velocity deficits in the turbine wake.

An experiment on the dynamics of ion implantation and sputtering of surfaces

NASA Astrophysics Data System (ADS)

Wright, G. M.; Barnard, H. A.; Kesler, L. A.; Peterson, E. E.; Stahle, P. W.; Sullivan, R. M.; Whyte, D. G.; Woller, K. B.

2014-02-01

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface.

Local stability of galactic discs in modified dynamics

NASA Astrophysics Data System (ADS)

Shenavar, Hossein; Ghafourian, Neda

2018-04-01

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

An experiment on the dynamics of ion implantation and sputtering of surfaces.

PubMed

Wright, G M; Barnard, H A; Kesler, L A; Peterson, E E; Stahle, P W; Sullivan, R M; Whyte, D G; Woller, K B

2014-02-01

A major impediment towards a better understanding of the complex plasma-surface interaction is the limited diagnostic access to the material surface while it is undergoing plasma exposure. The Dynamics of ION Implantation and Sputtering Of Surfaces (DIONISOS) experiment overcomes this limitation by uniquely combining powerful, non-perturbing ion beam analysis techniques with a steady-state helicon plasma exposure chamber, allowing for real-time, depth-resolved in situ measurements of material compositions during plasma exposure. Design solutions are described that provide compatibility between the ion beam analysis requirements in the presence of a high-intensity helicon plasma. The three primary ion beam analysis techniques, Rutherford backscattering spectroscopy, elastic recoil detection, and nuclear reaction analysis, are successfully implemented on targets during plasma exposure in DIONISOS. These techniques measure parameters of interest for plasma-material interactions such as erosion/deposition rates of materials and the concentration of plasma fuel species in the material surface.

Calculations of Helium Bubble Evolution in the PISCES Experiments with Cluster Dynamics

NASA Astrophysics Data System (ADS)

Blondel, Sophie; Younkin, Timothy; Wirth, Brian; Lasa, Ane; Green, David; Canik, John; Drobny, Jon; Curreli, Davide

2017-10-01

Plasma surface interactions in fusion tokamak reactors involve an inherently multiscale, highly non-equilibrium set of phenomena, for which current models are inadequate to predict the divertor response to and feedback on the plasma. In this presentation, we describe the latest code developments of Xolotl, a spatially-dependent reaction diffusion cluster dynamics code to simulate the divertor surface response to fusion-relevant plasma exposure. Xolotl is part of a code-coupling effort to model both plasma and material simultaneously; the first benchmark for this effort is the series of PISCES linear device experiments. We will discuss the processes leading to surface morphology changes, which further affect erosion, as well as how Xolotl has been updated in order to communicate with other codes. Furthermore, we will show results of the sub-surface evolution of helium bubbles in tungsten as well as the material surface displacement under these conditions.

Lubricant-infused micro/nano-structured surfaces with tunable dynamic omniphobicity at high temperatures

DOE PAGES

Daniel, Daniel; Mankin, Max N.; Belisle, Rebecca A.; ...

2013-06-10

Omniphobic surfaces that can repel fluids at temperatures higher than 100 °C are rare. Most state-of- the-art liquid-repellent materials are based on the lotus effect, where a thin air layer is maintained throughout micro/nanotextures leading to high mobility of liquids. However, such behavior eventually fails at elevated temperatures when the surface tension of test liquids decreases significantly. Here, we demonstrate a class of lubricant-infused structured surfaces that can maintain a robust omniphobic state even for low-surface-tension liquids at temperatures up to at least 200 °C. We also demonstrate how liquid mobility on such surfaces can be tuned by a factormore » of 1000.« less

High-resolution climate and land surface interactions modeling over Belgium: current state and decennial scale projections

NASA Astrophysics Data System (ADS)

Jacquemin, Ingrid; Henrot, Alexandra-Jane; Beckers, Veronique; Berckmans, Julie; Debusscher, Bos; Dury, Marie; Minet, Julien; Hamdi, Rafiq; Dendoncker, Nicolas; Tychon, Bernard; Hambuckers, Alain; François, Louis

2016-04-01

The interactions between land surface and climate are complex. Climate changes can affect ecosystem structure and functions, by altering photosynthesis and productivity or inducing thermal and hydric stresses on plant species. These changes then impact socio-economic systems, through e.g., lower farming or forestry incomes. Ultimately, it can lead to permanent changes in land use structure, especially when associated with other non-climatic factors, such as urbanization pressure. These interactions and changes have feedbacks on the climate systems, in terms of changing: (1) surface properties (albedo, roughness, evapotranspiration, etc.) and (2) greenhouse gas emissions (mainly CO2, CH4, N2O). In the framework of the MASC project (« Modelling and Assessing Surface Change impacts on Belgian and Western European climate »), we aim at improving regional climate model projections at the decennial scale over Belgium and Western Europe by combining high-resolution models of climate, land surface dynamics and socio-economic processes. The land surface dynamics (LSD) module is composed of a dynamic vegetation model (CARAIB) calculating the productivity and growth of natural and managed vegetation, and an agent-based model (CRAFTY), determining the shifts in land use and land cover. This up-scaled LSD module is made consistent with the surface scheme of the regional climate model (RCM: ALARO) to allow simulations of the RCM with a fully dynamic land surface for the recent past and the period 2000-2030. In this contribution, we analyze the results of the first simulations performed with the CARAIB dynamic vegetation model over Belgium at a resolution of 1km. This analysis is performed at the species level, using a set of 17 species for natural vegetation (trees and grasses) and 10 crops, especially designed to represent the Belgian vegetation. The CARAIB model is forced with surface atmospheric variables derived from the monthly global CRU climatology or ALARO outputs (from a 4 km resolution simulation) for the recent past and the decennial projections. Evidently, these simulations lead to a first analysis of the impact of climate change on carbon stocks (e.g., biomass, soil carbon) and fluxes (e.g., gross and net primary productivities (GPP and NPP) and net ecosystem production (NEP)). The surface scheme is based on two land use/land cover databases, ECOPLAN for the Flemish region and, for the Walloon region, the COS-Wallonia database and the Belgian agricultural statistics for agricultural land. Land use and land cover are fixed through time (reference year: 2007) in these simulations, but a first attempt of coupling between CARAIB and CRAFTY will be made to establish dynamic land use change scenarios for the next decades. A simulation with variable land use would allow an analysis of land use change impacts not only on crop yields and the land carbon budget, but also on climate relevant parameters, such as surface albedo, roughness length and evapotranspiration towards a coupling with the RCM.

The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

NASA Astrophysics Data System (ADS)

Nguyen, Duc; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Girolami, Gregory S.; Lyding, Joseph; Gruebele, Martin

2014-11-01

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1-2 nm diameter cooperatively rearranging regions or "clusters" occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB2 has a very high bulk glass transition temperature Tg, and we observe no three-state hopping or sequential two-state hopping previously seen on lower Tg glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how "mixed" features can show up in surface dynamics of glasses.

Theoretical study of high temperature behavior of Pb and Pb-base alloy surfaces

NASA Astrophysics Data System (ADS)

Landa, Alexander Ilyich

1998-11-01

A recent study of a Pb-Bi-Ni alloy reported a strong co-segregation of Bi and Ni at the alloy surface. The nature of this surface phenomenon has been studied by means of modern ab initio and classical simulation techniques. It was useful to begin by a study of the underlying binaries. We have performed ab initio calculations of the segregation profiles at the (111), (100) and (110) surfaces of random Pbsb{95}Bisb{05} alloys by means of the coherent potential approximation within the context of a tight-binding linear muffin-tin-orbitals method. We have found the segregation profiles to be oscillatory (this effect is most pronounced for the (111) surface) with a strong preference for Bi to segregate to the first atom layer. We have performed Monte Carlo simulations, employing Finnis-Sinclair-type empirical many-body potentials and computed the solubility limits of Pb-Bi and Pb-Ni alloys, as well as the segregation profiles at the (111) surfaces of Pbsb{95}Bisb{05} and Pb-Ni alloys. For Pb-Bi alloys, the concentration profiles have also been found to be oscillatory. Calculations on Pb-Ni showed that within the solubility limit of Ni in Pb, Ni did not segregate to the Pb(111) outermost surface layer. In the ternary Pbsb{95}Bisb{05}{+}Ni alloy ab initio calculations detected a tendency for Ni to segregate to the subsurface from layer due its strong interaction with Bi. Calculations on Pb-Bi-Ni showed strong segregation of Ni to the subsurface atom layer, accompanied by co-segregation of Bi to several of the outermost atom layers. We have also focused our attention on the high temperature behavior of the pure Pb(110) metal surface. Molecular dynamics simulations incorporating a many-body potential have been used to investigate the atomic structure and dynamics of the Pb(110) surface in the range from room temperature up to the bulk melting point. The surface starts to disorder approximately at 360 K via the generation of vacancies and the formation of an adlayer. At about 520 K, the onset of a quasiliquid region at the surface has been observed. The disordering of the surface beyond 520 K was described as premelting with a gradually developing liquid-like film, the thickness of which increased proportionally to 1n(1-T/Tsb{M}) as the bulk melting temperature (Tsb{M}) was approached. The dynamics of the equilibrium crystal-melt interface at the bulk melting point has been also studied: the interface exhibits fluctuating atomic-scale (111) facets, and, the two outermost quasiliquid layers retain a considerable degree of short range order (surface layering). The roughening transition on the Pb(110) surface has been studied using a combination of lattice-gas Monte Carlo and molecular-dynamics methods in conjunction with the same many-body glue potential. Lattice-gas Monte Carlo simulations yield a roughening transition temperature or approximately Tsbsp{R}{LGMC}≈ 1100 K. Molecular-dynamics simulations. which account for surface relaxation and lattice vibrations, detected the roughening transition at Tsbsp{R}{MD}≈ 545 K, above the high-resolution low-energy diffraction measurements of Tsbsp{R}{EXP} ≈ 415 K. The anisotropic body-centered solid-on-solid model has been used in the interpretation of these results. The time scale of local roughening was estimated approximately {˜}0.6 ns at the calculated roughening transition temperature. (Abstract shortened by UMI.)

The Dynamic Tensile Behavior of Railway Wheel Steel at High Strain Rates

NASA Astrophysics Data System (ADS)

Jing, Lin; Han, Liangliang; Zhao, Longmao; Zhang, Ying

2016-11-01

The dynamic tensile tests on D1 railway wheel steel at high strain rates were conducted using a split Hopkinson tensile bar (SHTB) apparatus, compared to quasi-static tests. Three different types of specimens, which were machined from three different positions (i.e., the rim, web and hub) of a railway wheel, were prepared and examined. The rim specimens were checked to have a higher yield stress and ultimate tensile strength than those web and hub specimens under both quasi-static and dynamic loadings, and the railway wheel steel was demonstrated to be strain rate dependent in dynamic tension. The dynamic tensile fracture surfaces of all the wheel steel specimens are cup-cone-shaped morphology on a macroscopic scale and with the quasi-ductile fracture features on the microscopic scale.

Spherical harmonics based descriptor for neural network potentials: Structure and dynamics of Au147 nanocluster.

PubMed

Jindal, Shweta; Chiriki, Siva; Bulusu, Satya S

2017-05-28

We propose a highly efficient method for fitting the potential energy surface of a nanocluster using a spherical harmonics based descriptor integrated with an artificial neural network. Our method achieves the accuracy of quantum mechanics and speed of empirical potentials. For large sized gold clusters (Au 147 ), the computational time for accurate calculation of energy and forces is about 1.7 s, which is faster by several orders of magnitude compared to density functional theory (DFT). This method is used to perform the global minimum optimizations and molecular dynamics simulations for Au 147 , and it is found that its global minimum is not an icosahedron. The isomer that can be regarded as the global minimum is found to be 4 eV lower in energy than the icosahedron and is confirmed from DFT. The geometry of the obtained global minimum contains 105 atoms on the surface and 42 atoms in the core. A brief study on the fluxionality in Au 147 is performed, and it is concluded that Au 147 has a dynamic surface, thus opening a new window for studying its reaction dynamics.

Gloss discrimination and eye movements

NASA Astrophysics Data System (ADS)

Phillips, Jonathan B.; Ferwerda, James A.; Nunziata, Ann

2010-02-01

Human observers are able to make fine discriminations of surface gloss. What cues are they using to perform this task? In previous studies, we identified two reflection-related cues-the contrast of the reflected image (c, contrast gloss) and the sharpness of reflected image (d, distinctness-of-image gloss)--but these were for objects rendered in standard dynamic range (SDR) images with compressed highlights. In ongoing work, we are studying the effects of image dynamic range on perceived gloss, comparing high dynamic range (HDR) images with accurate reflections and SDR images with compressed reflections. In this paper, we first present the basic findings of this gloss discrimination study then present an analysis of eye movement recordings that show where observers were looking during the gloss discrimination task. The results indicate that: 1) image dynamic range has significant influence on perceived gloss, with surfaces presented in HDR images being seen as glossier and more discriminable than their SDR counterparts; 2) observers look at both light source highlights and environmental interreflections when judging gloss; and 3) both of these results are modulated by surface geometry and scene illumination.

Spherical harmonics based descriptor for neural network potentials: Structure and dynamics of Au147 nanocluster

NASA Astrophysics Data System (ADS)

Jindal, Shweta; Chiriki, Siva; Bulusu, Satya S.

2017-05-01

We propose a highly efficient method for fitting the potential energy surface of a nanocluster using a spherical harmonics based descriptor integrated with an artificial neural network. Our method achieves the accuracy of quantum mechanics and speed of empirical potentials. For large sized gold clusters (Au147), the computational time for accurate calculation of energy and forces is about 1.7 s, which is faster by several orders of magnitude compared to density functional theory (DFT). This method is used to perform the global minimum optimizations and molecular dynamics simulations for Au147, and it is found that its global minimum is not an icosahedron. The isomer that can be regarded as the global minimum is found to be 4 eV lower in energy than the icosahedron and is confirmed from DFT. The geometry of the obtained global minimum contains 105 atoms on the surface and 42 atoms in the core. A brief study on the fluxionality in Au147 is performed, and it is concluded that Au147 has a dynamic surface, thus opening a new window for studying its reaction dynamics.

Glacial Lake Growth and Associated Glacier Dynamics: Case Study from the Himalayas, Andes, Alaska and New Zealand

NASA Astrophysics Data System (ADS)

Binger, D. J.; Haritashya, U. K.; Kargel, J. S.; Shugar, D. H.

2016-12-01

Glacial lake growth and associated glacier dynamics: Case study from the Himalayas, Andes, Alaska and New Zealand David J. Binger1, Umesh K. Haritashya1 and Jeffrey S. Kargel21University of Dayton, Dayton, OH 2University of Arizona, Tucson, AZ As a result of climate change most of the world's alpine glaciers are undergoing measurable retreat and dynamic changes. The result of accelerated melting has led to the formation and growth of potentially dangerous glacial lakes. In this study, alpine glaciers and associated lakes from the Himalayas, Andes, Alaska and New Zealand, showing similar geomorphological settings were analyzed to compare differences in regional proglacial lake growth and its relationship with glacier dynamics. Specifically, we analyzed the surface area growth of the lakes, retreat of glacier terminus, changes in glacier velocity, surface temperature and potential glacial lake outburst flood triggers. Using Landsat and ASTER satellite images, Cosi - Corr software, and in house thermal mapping, 10 glaciers were analyzed and compared. Results show a substantial increase in proglacial lake surface area, accelerated velocity and significant calving of the glaciers. Glacier surface temperatures varied by location, with some remaining constant and others 2°C - 4°C increases; although increased surface temperature did not always show a direct correlation with increasing retreat rate. Lakes with high rates of surface area growth paired with glaciers with increased velocity and calving could prove to be unsustainable and lead to an increased risk for glacial lake outburst floods. Overall, result show the changing dynamics of the alpine glaciers in different mountain regions and the growth of their proglacial lakes.

Effects of surface motion and electron-hole pair excitations in CO2 dissociation and scattering on Ni(100)

NASA Astrophysics Data System (ADS)

Luo, Xuan; Zhou, Xueyao; Jiang, Bin

2018-05-01

The energy transfer between different channels is an important aspect in chemical reactions at surfaces. We investigate here in detail the energy transfer dynamics in a prototypical system, i.e., reactive and nonreactive scattering of CO2 on Ni(100), which is related to heterogeneous catalytic processes with Ni-based catalysts for CO2 reduction. On the basis of our earlier nine-dimensional potential energy surface for CO2/Ni(100), dynamical calculations have been done using the generalized Langevin oscillator (GLO) model combined with local density friction approximation (LDFA), in which the former accounts for the surface motion and the latter accounts for the low-energy electron-hole pair (EHP) excitation. In spite of its simplicity, it is found that the GLO model yields quite satisfactory results, including the significant energy loss and product energy disposal, trapping, and steering dynamics, all of which agree well with the ab initio molecular dynamics ones where many surface atoms are explicitly involved with high computational cost. However, the GLO model fails to describe the reactivity enhancement due to the lattice motion because it intrinsically does not incorporate the variance of barrier height on the surface atom displacement. On the other hand, in LDFA, the energy transferred to EHPs is found to play a minor role and barely alter the dynamics, except for slightly reducing the dissociation probabilities. In addition, vibrational state-selected dissociative sticking probabilities are calculated and previously observed strong mode specificity is confirmed. Our work suggests that further improvement of the GLO model is needed to consider the lattice-induced barrier lowering.

Large eddy simulation of a boundary layer with concave streamwise curvature

NASA Technical Reports Server (NTRS)

Lund, Thomas S.

1993-01-01

One of the most exciting recent developments in the field of large eddy simulation (LES) is the dynamic subgrid-scale model. The dynamic model concept is a general procedure for evaluating model constants by sampling a band of the smallest scales actually resolved in the simulation. To date, the procedure has been used primarily in conjunction with the Smagorinsky model. The dynamic procedure has the advantage that the value of the model constant need not be specified a priori, but rather is calculated as a function of space and time as the simulation progresses. This feature makes the dynamic model especially attractive for flows in complex geometries where it is difficult or impossible to calibrate model constants. The dynamic model was highly successful in benchmark tests involving homogeneous and channel flows. Having demonstrated the potential of the dynamic model in these simple flows, the overall direction of the LES effort at CTR shifted toward an evaluation of the model in more complex situations. The current test cases are basic engineering-type flows for which Reynolds averaged approaches were unable to model the turbulence to within engineering accuracy. Flows currently under investigation include a backward-facing step, wake behind a circular cylinder, airfoil at high angles of attack, separated flow in a diffuser, and boundary layer over a concave surface. Preliminary results from the backward-facing step and cylinder wake simulations are encouraging. Progress on the LES of a boundary layer on a concave surface is discussed. Although the geometry of a concave wall is not very complex, the boundary layer that develops on its surface is difficult to model due to the presence of streamwise Taylor-Gortler vortices. These vortices arise as a result of a centrifugal instability associated with the convex curvature.

Identifying Hydrogeological Controls of Catchment Low-Flow Dynamics Using Physically Based Modelling

NASA Astrophysics Data System (ADS)

Cochand, F.; Carlier, C.; Staudinger, M.; Seibert, J.; Hunkeler, D.; Brunner, P.

2017-12-01

Identifying key catchment characteristics and processes which control the hydrological response under low-flow conditions is important to assess the catchments' vulnerability to dry periods. In the context of a Swiss Federal Office for the Environment (FOEN) project, the low-flow behaviours of two mountainous catchments were investigated. These neighboring catchments are characterized by the same meteorological conditions, but feature completely different river flow dynamics. The Roethenbach is characterized by high peak flows and low mean flows. Conversely, the Langete is characterized by relatively low peak flows and high mean flow rates. To understand the fundamentally different behaviour of the two catchments, a physically-based surface-subsurface flow HydroGeoSphere (HGS) model for each catchment was developed. The main advantage of a physically-based model is its ability to realistically reproduce processes which play a key role during low-flow periods such as surface-subsurface interactions or evapotranspiration. Both models were calibrated to reproduce measured groundwater heads and the surface flow dynamics. Subsequently, the calibrated models were used to explore the fundamental physics that control hydrological processes during low-flow periods. To achieve this, a comparative sensitivity analysis of model parameters of both catchments was carried out. Results show that the hydraulic conductivity of the bedrock (and weathered bedrock) controls the catchment water dynamics in both models. Conversely, the properties of other geological formations such as alluvial aquifer or soil layer hydraulic conductivity or porosity play a less important role. These results change significantly our perception of the streamflow catchment dynamics and more specifically the way to assess catchment vulnerability to dry period. This study suggests that by analysing catchment scale bedrock properties, the catchment dynamics and the vulnerability to dry period may be assessed.

Surface-initiated phase transition in solid hydrogen under the high-pressure compression

NASA Astrophysics Data System (ADS)

Lei, Haile; Lin, Wei; Wang, Kai; Li, Xibo

2018-03-01

The large-scale molecular dynamics simulations have been performed to understand the microscopic mechanism governing the phase transition of solid hydrogen under the high-pressure compression. These results demonstrate that the face-centered-cubic-to-hexagonal close-packed phase transition is initiated first at the surfaces at a much lower pressure than in the volume and then extends gradually from the surface to volume in the solid hydrogen. The infrared spectra from the surface are revealed to exhibit a different pressure-dependent feature from those of the volume during the high-pressure compression. It is thus deduced that the weakening intramolecular H-H bonds are always accompanied by hardening surface phonons through strengthening the intermolecular H2-H2 coupling at the surfaces with respect to the counterparts in the volume at high pressures. This is just opposite to the conventional atomic crystals, in which the surface phonons are softening. The high-pressure compression has further been predicted to force the atoms or molecules to spray out of surface to degrade the pressure. These results provide a glimpse of structural properties of solid hydrogen at the early stage during the high-pressure compression.

Quantification of surface water volume changes in the Mackenzie Delta using satellite multi-mission data

NASA Astrophysics Data System (ADS)

Normandin, Cassandra; Frappart, Frédéric; Lubac, Bertrand; Bélanger, Simon; Marieu, Vincent; Blarel, Fabien; Robinet, Arthur; Guiastrennec-Faugas, Léa

2018-02-01

Quantification of surface water storage in extensive floodplains and their dynamics are crucial for a better understanding of global hydrological and biogeochemical cycles. In this study, we present estimates of both surface water extent and storage combining multi-mission remotely sensed observations and their temporal evolution over more than 15 years in the Mackenzie Delta. The Mackenzie Delta is located in the northwest of Canada and is the second largest delta in the Arctic Ocean. The delta is frozen from October to May and the recurrent ice break-up provokes an increase in the river's flows. Thus, this phenomenon causes intensive floods along the delta every year, with dramatic environmental impacts. In this study, the dynamics of surface water extent and volume are analysed from 2000 to 2015 by combining multi-satellite information from MODIS multispectral images at 500 m spatial resolution and river stages derived from ERS-2 (1995-2003), ENVISAT (2002-2010) and SARAL (since 2013) altimetry data. The surface water extent (permanent water and flooded area) peaked in June with an area of 9600 km2 (±200 km2) on average, representing approximately 70 % of the delta's total surface. Altimetry-based water levels exhibit annual amplitudes ranging from 4 m in the downstream part to more than 10 m in the upstream part of the Mackenzie Delta. A high overall correlation between the satellite-derived and in situ water heights (R > 0.84) is found for the three altimetry missions. Finally, using altimetry-based water levels and MODIS-derived surface water extents, maps of interpolated water heights over the surface water extents are produced. Results indicate a high variability of the water height magnitude that can reach 10 m compared to the lowest water height in the upstream part of the delta during the flood peak in June. Furthermore, the total surface water volume is estimated and shows an annual variation of approximately 8.5 km3 during the whole study period, with a maximum of 14.4 km3 observed in 2006. The good agreement between the total surface water volume retrievals and in situ river discharges (R = 0.66) allows for validation of this innovative multi-mission approach and highlights the high potential to study the surface water extent dynamics.

Theoretical Studies of the Structure and the Dynamics on Clean and Chemisorbed Metal Surfaces

NASA Astrophysics Data System (ADS)

Yang, Liqiu

Molecular dynamics (MD) and lattice dynamics (LD) techniques are employed to investigate several phenomena related to the structure and vibrations at metal surfaces. The MD simulations are performed with the many-body interaction potentials obtained using the Embedded-Atom Method (EAM). As specific examples, we present the results for Ag(100) at 300 K and Cu(100) at 150 K, 300 K, and 600 K. The calculated frequencies and polarizations of all surface modes and resonances at the high-symmetry points in the two-dimensional Brillouin zone are in good agreement with available data, as well as, existing lattice dynamics results with force constants obtained from first-principles calculations. Our calculated surface relaxation is also in reasonable agreement with the data. We also test a much simpler lattice dynamics model with nearest neighbor central force interactions, and conclude that it can reproduce the main features of the phonon modes, but only when adjustable surface parameters are used. Additionally, the temperature dependent studies of the phonon line-widths and the mean-square displacement (MSD) of surface atoms are indicative of enhanced surface anharmonicity. On several chemisorbed metal surfaces, for which force constants are not available from first-principles calculations or the EAM, we perform lattice dynamics studies of phonon dispersion curves using simple force-constant models. These studies provide reliable mean-square displacement of surface atoms and can distinguish between possible reconstruction patterns, the results being insensitive to the exact values of the surface parameters. On c(2 times 2)S-Ni(100), it is found that the parallel component of the mean-square displacement for sulfur is around 50% larger than the vertical component, but for the mean-square displacement of oxygen atoms in the system c(2 times 2)O-Ni(100), the opposite is the case. As regards surface reconstruction, for both p(2 times 1)O-Ag(110) and p(2 times 1)O-Ni(110) surfaces, it is concluded that a substrate missing-row type reconstruction is induced by the adsorbates, but the local symmetry is C_{2v} with oxygen atoms at the long-bridge sites for the former and C_{s} with (110) being the only symmetry axis for the latter. In the above theoretical analysis, close contacts are made to many available experimental results such as surface phonon dispersion curves, interlayer relaxations, and Debye -Waller factors and adsorbate-substrate bond lengths.

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

PubMed

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

2017-06-27

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

Effect of hydrodynamics and surface roughness on the electrochemical behaviour of carbon steel in CSG produced water

NASA Astrophysics Data System (ADS)

Eyu, Gaius Debi; Will, Geoffrey; Dekkers, Willem; MacLeod, Jennifer

2015-12-01

The influence of fluid flow, surface roughness and immersion time on the electrochemical behaviour of carbon steel in coal seam gas produced water under static and hydrodynamic conditions has been studied. The disc electrode surface morphology before and after the corrosion test was characterized using scanning electron microscopy (SEM). The corrosion product was examined using X-ray photoelectron spectroscopy (XPS) and X-ray diffractometry (XRD).The results show that the anodic current density increased with increasing surface roughness and consequently a decrease in corrosion surface resistance. Under dynamic flow conditions, the corrosion rate increased with increasing rotating speed due to the high mass transfer coefficient and formation of non-protective akaganeite β-FeO(OH) and goethite α-FeO(OH) corrosion scale at the electrode surface. The corrosion rate was lowest at 0 rpm. The corrosion rate decreased in both static and dynamic conditions with increasing immersion time. The decrease in corrosion rate is attributed to the deposition of corrosion products on the electrode surface. SEM results revealed that the rougher surface exhibited a great tendency toward pitting corrosion.

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

USGS Publications Warehouse

Gesch, Dean B.

2009-01-01

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

The effect of periodic wavy profile on suppressing window multipactor under arbitrary electromagnetic mode

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

Chang, C., E-mail: chang@slac.stanford.edu; Key Laboratory of Physical Electronics and Devices of the Ministry of Education, Xi'an Jiaotong University, Xi'an, Shaanxi 710049; Liu, Y. S.

2015-01-05

The three-dimensional periodic ripple profile with each unit of rotational symmetric surface is proposed to suppress multipactor for arbitrary electromagnetic mode with any polarization. The field distribution and multipactor electron dynamics on the wavy surface are studied to illustrate the multipactor inhibition mechanism. High power microwave experiment was conducted to demonstrate the effect of wavy surface on significantly improving the window power capacity.

Triggering factor evolution and dynamic process simulation of the Formosa Highway dip-slope failure, northern Taiwan

NASA Astrophysics Data System (ADS)

Huang, Mei-Jen; Chiang, Yi-Lin; Chang, Ho-Shyang; Chang, Kuo-Jen

2013-04-01

Taiwan, due to the high seismicity and high annual rainfall, numerous landslides triggered every year and severe impacts affect the island. Accordingly, if the new-built construction does not take into account this threaten, tremendous disasters will occur. On April 25th 2010, Formosa Freeway dip-slope failure caused four deaths, resulted from artificial slope cutting and rock-bot supporting system weakening. This research integrates high resolution Digital Terrain Model (DTM) and numerical simulation to evaluate the triggering mechanism and dynamic process of the landslide. First of all, to access the landslide geometry, the morphology of the event before and after landslide is constructed from high resolution DTM by means of aerial photos. The slid and the deposit volumes of the landslide are thus estimated accordingly. Only part of the surface of separation between slide block and slide slope is exposed. Based on the exposed planar strata/sliding surface, situated on the upper part of the slope, by means of extrapolating part of the plane to mimic the entire slide surface. From DTMs, the slide block is approximately 0.15 million cubic meters. The extrapolated planar surface serves as sliding surface for the numerical models. For numerical model preparation, the particle clusters produced by isotropic stress and the porosity are take into account. To ensure the production range should cover the entire slid mass from the source area, the particle clusters represent the slid block is been rotated, scaled and translated to the source area. Then, part of the particles are been eliminated if it is situated outside the upper and lower surface from the DTM before and after landslide. According to the geological map, the model of the particles to mimic the slide block can be divided into two parts: 1) the underneath interbedded sandstone and shale which may soften by water 2) the supposed upper layer composed of sandstone. Furthermore, set up a layer of particles to simulate ground anchor. The advantages of DTM collocate PFC3d are that real terrain can be represented on the model, and can be simulated the complete landslide process dynamically. Comparing with continuum mechanic analysis that only provides state of instability, but by using discrete element method it can provide the dynamical process of sliding include trajectory, velocity change, sliding distance and also accumulation patterns after landslide and know the affected areas from the disaster event. Results shows: 1) the peak and the residual frictional angle of the sliding surface should be small than 14 and 4 degree, respectively, in the condition of 30% effective resistance of rock-bolt remains. 2)The maximum sliding speed could be as high as 15.34 m/s, caused thus hazard event.

Modeling local extinction in turbulent combustion using an embedding method

NASA Astrophysics Data System (ADS)

Knaus, Robert; Pantano, Carlos

2012-11-01

Local regions of extinction in diffusion flames, called ``flame holes,'' can reduce the efficiency of combustion and increase the production of certain pollutants. At sufficiently high speeds, a flame may also be lifted from the rim of the burner to a downstream location that may be stable. These two phenomena share a common underlying mechanism of propagation related to edge-flame dynamics where chemistry and fluid mechanics are equally important. We present a formulation that describes the formation, propagation, and growth of flames holes on the stoichiometric surface using edge flame dynamics. The boundary separating the flame from the quenched region is modeled using a progress variable defined on the moving stoichiometric surface that is embedded in the three-dimensional space using an extension algorithm. This Cartesian problem is solved using a high-order finite-volume WENO method extended to this nonconservative problem. This algorithm can track the dynamics of flame holes in a turbulent reacting-shear layer and model flame liftoff without requiring full chemistry calculations.

Critical capillary channel flow

NASA Astrophysics Data System (ADS)

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

The main subject are numerical studies on capillary channel flow, based on results of the sounding rocket experiments TEXUS 41/42. The flow through a capillary channel is established by a gear pump at the outlet. The channel, consists of two parallel glass plates with a width of 25 mm, a gap of 10 mm and a length of 12 mm. The meniscus of a compensation tube maintains a constant system pressure. Steady and dynamic pressure effects in the system force the surfaces to bend inwards. A maximum flow rate is achieved when the free surface collapses and gas ingestion occurs at the outlet. This critical flow rate depends on the channel geometry, the flow regime and the liquid properties. The aim of the experiments is the determination of the free surface shape and to find the maximum flow rate. In order to study the unsteady liquid loop behaviour, a dimensionless transient model was developed. It is based on the unsteady Bernoulli equation, the unsteady continuity equation and geometrical conditions for the surface curvature and the flow cross-section. The pressure is related to the curvature of the free liquid surface by the dimensionless Gauss-Laplace equation with two principal radii. The experimental and evaluated contour data shows good agreement for a sequence of transient flow rate perturbations. The surface oscillation frequencies and amplitudes can be predicted with quite high accuracy. The dynamic of the pump is defined by the increase of the flow rate in a time period. To study the unsteady system behavior in the "worst case", we use a perturbations related to the natural frequency of the oscillating liquid. In the case of steady flow at maximum flow rate, when the "choking" effect occurs, the surfaces collapse and cause gas ingestion into the channel. This effect is related to the Speed Index. At the critical flow rate the Speed Index reaches the value Sca = 1, in analogy to the Mach Number. Unsteady choking does not necessarily cause surface collapse. We show, that temporarily Speed Index values exceeding One may be achieved for a perfectly stable supercritical dynamic flow. As a supercritical criterion for the dynamic free surface stability we define a Dynamic Index D considering the local capillary pressure and the convective pressure, which is a function of the local velocity. The Dynamic Index is below One for stable flow while D = 1 indicates surface collapse. This studies result in a stability diagram, which defines the limits of flow dynamics and the maximum unsteady flow rate. It may serve as a road map for open capillary channel flow control.

Measuring Long-Range 13C– 13C Correlations on a Surface under Natural Abundance Using Dynamic Nuclear Polarization-Enhanced Solid-State Nuclear Magnetic Resonance [Measuring Long Range 13C– 13C Correlations on Surface under Natural Abundance Using DNP-enhanced Solid-state NMR

DOE PAGES

Kobayashi, Takeshi; Slowing, Igor I.; Pruski, Marek

2017-10-13

Here, we report that spatial (<1 nm) proximity between different molecules in solid bulk materials and, for the first time, different moieties on the surface of a catalyst, can be established without isotope enrichment by means of homonuclear CHHC solid-state nuclear magnetic resonance experiment. This 13C– 13C correlation measurement, which hitherto was not possible for natural-abundance solids, was enabled by the use of dynamic nuclear polarization. Importantly, it allows the study of long-range correlations in a variety of materials with high resolution.

Measuring Long-Range 13C– 13C Correlations on a Surface under Natural Abundance Using Dynamic Nuclear Polarization-Enhanced Solid-State Nuclear Magnetic Resonance [Measuring Long Range 13C– 13C Correlations on Surface under Natural Abundance Using DNP-enhanced Solid-state NMR

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

Kobayashi, Takeshi; Slowing, Igor I.; Pruski, Marek

Here, we report that spatial (<1 nm) proximity between different molecules in solid bulk materials and, for the first time, different moieties on the surface of a catalyst, can be established without isotope enrichment by means of homonuclear CHHC solid-state nuclear magnetic resonance experiment. This 13C– 13C correlation measurement, which hitherto was not possible for natural-abundance solids, was enabled by the use of dynamic nuclear polarization. Importantly, it allows the study of long-range correlations in a variety of materials with high resolution.

Water surface modeling from a single viewpoint video.

PubMed

Li, Chuan; Pickup, David; Saunders, Thomas; Cosker, Darren; Marshall, David; Hall, Peter; Willis, Philip

2013-07-01

We introduce a video-based approach for producing water surface models. Recent advances in this field output high-quality results but require dedicated capturing devices and only work in limited conditions. In contrast, our method achieves a good tradeoff between the visual quality and the production cost: It automatically produces a visually plausible animation using a single viewpoint video as the input. Our approach is based on two discoveries: first, shape from shading (SFS) is adequate to capture the appearance and dynamic behavior of the example water; second, shallow water model can be used to estimate a velocity field that produces complex surface dynamics. We will provide qualitative evaluation of our method and demonstrate its good performance across a wide range of scenes.

Communication: Hot-atom abstraction dynamics of hydrogen from tungsten surfaces: The role of surface structure

NASA Astrophysics Data System (ADS)

Galparsoro, Oihana; Busnengo, Heriberto Fabio; Juaristi, Joseba Iñaki; Crespos, Cédric; Alducin, Maite; Larregaray, Pascal

2017-09-01

Adiabatic and non-adiabatic quasiclassical molecular dynamics simulations are performed to investigate the role of the crystal face on hot-atom abstraction of H adsorbates by H scattering from covered W(100) and W(110). On both cases, hyperthermal diffusion is strongly affected by the energy dissipated into electron-hole pair excitations. As a result, the hot-atom abstraction is highly reduced in favor of adsorption at low incidence energy and low coverages, i.e., when the mean free path of the hyperthermal H is typically larger. Qualitatively, this reduction is rather similar on both surfaces, despite at such initial conditions, the abstraction process involves more subsurface penetration on W(100) than on W(110).

Enhancing the Arctic Mean Sea Surface and Mean Dynamic Topography with CryoSat-2 Data

NASA Astrophysics Data System (ADS)

Stenseng, Lars; Andersen, Ole B.; Knudsen, Per

2014-05-01

A reliable mean sea surface (MSS) is essential to derive a good mean dynamic topography (MDT) and for the estimation of short and long-term changes in the sea surface. The lack of satellite radar altimetry observations above 82 degrees latitude means that existing mean sea surface models have been unreliable in the Arctic Ocean. We here present the latest DTU mean sea surface and mean dynamic topography models that includes CryoSat-2 data to improve the reliability in the Arctic Ocean. In an attempt to extrapolate across the gap above 82 degrees latitude the previously models included ICESat data, gravimetrical geoids, ocean circulation models and various combinations hereof. Unfortunately cloud cover and the short periods of operation has a negative effect on the number of ICESat sea surface observations. DTU13MSS and DTU13MDT are the new generation of state of the art global high-resolution models that includes CryoSat-2 data to extend the satellite radar altimetry coverage up to 88 degrees latitude. Furthermore the SAR and SARin capability of CryoSat-2 dramatically increases the amount of useable sea surface returns in sea-ice covered areas compared to conventional radar altimeters like ENVISAT and ERS-1/2. With the inclusion of CryoSat-2 data the new mean sea surface is improved by more than 20 cm above 82 degrees latitude compared with the previous generation of mean sea surfaces.

Comparative surface dynamics of amorphous and semicrystalline polymer films

PubMed Central

Becker, James S.; Brown, Ryan D.; Killelea, Daniel R.; Yuan, Hanqiu; Sibener, S. J.

2011-01-01

The surface dynamics of amorphous and semicrystalline polymer films have been measured using helium atom scattering. Time-of-flight data were collected to resolve the elastic and inelastic scattering components in the diffuse scattering of neutral helium atoms from the surface of a thin poly(ethylene terephthalate) film. Debye–Waller attenuation was observed for both the amorphous and semicrystalline phases of the polymer by recording the decay of elastically scattered helium atoms with increasing surface temperature. Thermal attenuation measurements in the specular scattering geometry yielded perpendicular mean-square displacements of 2.7•10-4 Å2 K-1 and 3.1•10-4 Å2 K-1 for the amorphous and semicrystalline surfaces, respectively. The semicrystalline surface was consistently ∼15% softer than the amorphous across a variety of perpendicular momentum transfers. The Debye–Waller factors were also measured at off-specular angles to characterize the parallel mean-square displacements, which were found to increase by an order of magnitude over the perpendicular mean-square displacements for both surfaces. In contrast to the perpendicular motion, the semicrystalline state was ∼25% stiffer than the amorphous phase in the surface plane. These results were uniquely accessed through low-energy neutral helium atom scattering due to the highly surface-sensitive and nonperturbative nature of these interactions. The goal of tailoring the chemical and physical properties of complex advanced materials requires an improved understanding of interfacial dynamics, information that is obtainable through atomic beam scattering methods. PMID:20713734

Tunable vertical-cavity surface-emitting laser with feedback to implement a pulsed neural model. 2. High-frequency effects and optical coupling.

PubMed

Romariz, Alexandre R S; Wagner, Kelvin H

2007-07-20

The operation of an optoelectronic dynamic neural model implementation is extended to higher frequencies. A simplified model of thermal effects in vertical-cavity surface-emitting lasers correctly predicts the qualitative changes in the nonlinear mapping implementation with frequency. Experiments and simulations show the expected resonance properties of this model neuron, along with the possibility of other dynamic effects in addition to the ones observed in the original FitzHugh-Nagumo equations. Results of optical coupling between two similar pulsing artificial neurons are also presented.

Time-dependent dynamical behavior of surface tension on rotating fluids under microgravity environment

NASA Technical Reports Server (NTRS)

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

1988-01-01

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

Incipient plasticity and indentation response of MgO surfaces using molecular dynamics

NASA Astrophysics Data System (ADS)

Tran, Anh-Son; Hong, Zheng-Han; Chen, Ming-Yuan; Fang, Te-Hua

2018-05-01

The mechanical characteristics of magnesium oxide (MgO) based on nanoindentation are studied using molecular dynamics (MD) simulation. The effects of indenting speed and temperature on the structural deformation and loading-unloading curve are investigated. Results show that the strained surface of the MgO expands to produce a greater relaxation of atoms in the surroundings of the indent. The dislocation propagation and pile-up for MgO occur more significantly with the increasing temperature from 300 K to 973 K. In addition, with increasing temperature, the high strained atoms with a great perturbation appearing at the groove location.

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium.

PubMed

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-12-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Molecular Dynamics Modeling and Simulation of Diamond Cutting of Cerium

NASA Astrophysics Data System (ADS)

Zhang, Junjie; Zheng, Haibing; Shuai, Maobing; Li, Yao; Yang, Yang; Sun, Tao

2017-07-01

The coupling between structural phase transformations and dislocations induces challenges in understanding the deformation behavior of metallic cerium at the nanoscale. In the present work, we elucidate the underlying mechanism of cerium under ultra-precision diamond cutting by means of molecular dynamics modeling and simulations. The molecular dynamics model of diamond cutting of cerium is established by assigning empirical potentials to describe atomic interactions and evaluating properties of two face-centered cubic cerium phases. Subsequent molecular dynamics simulations reveal that dislocation slip dominates the plastic deformation of cerium under the cutting process. In addition, the analysis based on atomic radial distribution functions demonstrates that there are trivial phase transformations from the γ-Ce to the δ-Ce occurred in both machined surface and formed chip. Following investigations on machining parameter dependence reveal the optimal machining conditions for achieving high quality of machined surface of cerium.

Range expansion through fragmented landscapes under a variable climate

PubMed Central

Bennie, Jonathan; Hodgson, Jenny A; Lawson, Callum R; Holloway, Crispin TR; Roy, David B; Brereton, Tom; Thomas, Chris D; Wilson, Robert J

2013-01-01

Ecological responses to climate change may depend on complex patterns of variability in weather and local microclimate that overlay global increases in mean temperature. Here, we show that high-resolution temporal and spatial variability in temperature drives the dynamics of range expansion for an exemplar species, the butterfly Hesperia comma. Using fine-resolution (5 m) models of vegetation surface microclimate, we estimate the thermal suitability of 906 habitat patches at the species' range margin for 27 years. Population and metapopulation models that incorporate this dynamic microclimate surface improve predictions of observed annual changes to population density and patch occupancy dynamics during the species' range expansion from 1982 to 2009. Our findings reveal how fine-scale, short-term environmental variability drives rates and patterns of range expansion through spatially localised, intermittent episodes of expansion and contraction. Incorporating dynamic microclimates can thus improve models of species range shifts at spatial and temporal scales relevant to conservation interventions. PMID:23701124

Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules

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

Jiang, Bin; Department of Chemical Physics, University of Science and Technology of China, Hefei 230026; Guo, Hua, E-mail: hguo@unm.edu

Recently, we reported the first highly accurate nine-dimensional global potential energy surface (PES) for water interacting with a rigid Ni(111) surface, built on a large number of density functional theory points [B. Jiang and H. Guo, Phys. Rev. Lett. 114, 166101 (2015)]. Here, we investigate site-specific reaction probabilities on this PES using a quasi-seven-dimensional quantum dynamical model. It is shown that the site-specific reactivity is largely controlled by the topography of the PES instead of the barrier height alone, underscoring the importance of multidimensional dynamics. In addition, the full-dimensional dissociation probability is estimated by averaging fixed-site reaction probabilities with appropriatemore » weights. To validate this model and gain insights into the dynamics, additional quasi-classical trajectory calculations in both full and reduced dimensions have also been performed and important dynamical factors such as the steering effect are discussed.« less

High and low torque handpieces: cutting dynamics, enamel cracking and tooth temperature.

PubMed

Watson, T F; Flanagan, D; Stone, D G

2000-06-24

The aim of these experiments was to compare the cutting dynamics of high-speed high-torque (speed-increasing) and high-speed low-torque (air-turbine) handpieces and evaluate the effect of handpiece torque and bur type on sub-surface enamel cracking. Temperature changes were also recorded in teeth during cavity preparation with high and low torque handpieces with diamond and tungsten carbide (TC) burs. The null hypothesis of this study was that high torque handpieces cause more damage to tooth structure during cutting and lead to a rise in temperature within the pulp-chamber. Images of the dynamic interactions between burs and enamel were recorded at video rate using a confocal microscope. Central incisors were mounted on a specially made servomotor driven stage for cutting with a type 57 TC bur. The two handpiece types were used with simultaneous recording of cutting load and rate. Sub-surface enamel cracking caused by the use of diamond and TC burs with high and low torque was also examined. Lower third molars were sectioned horizontally to remove the cusp tips and then the two remaining crowns cemented together with cyanoacrylate adhesive, by their flat surfaces. Axial surfaces of the crowns were then prepared with the burs and handpieces. The teeth were then separated and the original sectioned surface examined for any cracks using a confocal microscope. Heat generation was measured using thermocouples placed into the pulp chambers of extracted premolars, with diamond and TC burs/high-low torque handpiece variables, when cutting occlusal and cervical cavities. When lightly loaded the two handpiece types performed similarly. However, marked differences in cutting mechanisms were noted when increased forces were applied to the handpieces with, generally, an increase in cutting rate. The air turbine could not cope with steady heavy loads, tending to stall. 'Rippling' was seen in the interface as this stall developed, coinciding with the bur 'clearing' itself. No differences were noted between different handpieces and burs, in terms of sub-surface enamel cracking. Similarly, no differences were recorded for temperature rise during cavity preparation. Differences in cutting mechanisms were seen between handpieces with high and low torque, especially when the loads and cutting rates were increased. The speed increasing handpiece was better able to cope with increased loading. Nevertheless, there was no evidence of increased tooth cracking or heating with this type handpiece, indicating that these do not have any deleterious effects on the tooth.

Combustion dynamics of low vapour pressure nanofuel droplets

NASA Astrophysics Data System (ADS)

Pandey, Khushboo; Chattopadhyay, Kamanio; Basu, Saptarshi

2017-07-01

Multiscale combustion dynamics, shape oscillations, secondary atomization, and precipitate formation have been elucidated for low vapour pressure nanofuel [n-dodecane seeded with alumina nanoparticles (NPs)] droplets. Dilute nanoparticle loading rates (0.1%-1%) have been considered. Contrary to our previous studies of ethanol-water blend (high vapour pressure fuel), pure dodecane droplets do not exhibit internal boiling after ignition. However, variation in surface tension due to temperature causes shape deformations for pure dodecane droplets. In the case of nanofuels, intense heat release from the enveloping flame leads to the formation of micron-size aggregates (of alumina NPS) which serve as nucleation sites promoting heterogeneous boiling. Three boiling regimes (A, B, and C) have been identified with varying bubble dynamics. We have deciphered key mechanisms responsible for the growth, transport, and rupture of the bubbles. Bubble rupture causes ejections of liquid droplets termed as secondary atomization. Ejection of small bubbles (mode 1) resembles the classical vapour bubble collapse mechanism near a flat free surface. However, large bubbles induce severe shape deformations as well as bulk oscillations. Rupture of large bubbles results in high speed liquid jet formation which undergoes Rayleigh-Plateau tip break-up. Both modes contribute towards direct fuel transfer from the droplet surface to flame envelope bypassing diffusion limitations. Combustion lifetime of nanofuel droplets consequently has two stages: stage I (where bubble dynamics are dominant) and stage II (formation of gelatinous mass due to continuous fuel depletion; NP agglomeration). In the present work, variation of flame dynamics and spatio-temporal heat release (HR) have been analysed using high speed OH* chemiluminescence imaging. Fluctuations in droplet shape and flame heat release are found to be well correlated. Droplet flame is bifurcated in two zones (I and II). Flame response is manifested in two frequency ranges: (i) buoyant flame flickering and (ii) auxiliary frequencies arising from high intensity secondary ejections due to bubble ruptures. Addition of alumina NPs enhances the heat absorption rate and ensures the rapid transfer of fuel parcels (detached daughter droplets) from droplet surface to flame front through secondary ejections. Therefore, average HR shows an increasing trend with particle loading rate (PLR). The perikinetic agglomeration model is used to explain the formation of gelatinous sheath during the last phase of droplet burning. Gelatinous mass formed results in bubble entrapment. SEM images of combustion precipitates show entrapped bubble cavities along with surface and sub-surface blowholes. Morphology of combustion precipitate shows a strong variation with PLRs. We have established the coupling mechanisms among heat release, shape oscillations, and secondary atomizations that underline the combustion behaviour of such low vapour pressure nanofuels.

Predictive Finite Rate Model for Oxygen-Carbon Interactions at High Temperature

NASA Astrophysics Data System (ADS)

Poovathingal, Savio

An oxidation model for carbon surfaces is developed to predict ablation rates for carbon heat shields used in hypersonic vehicles. Unlike existing empirical models, the approach used here was to probe gas-surface interactions individually and then based on an understanding of the relevant fundamental processes, build a predictive model that would be accurate over a wide range of pressures and temperatures, and even microstructures. Initially, molecular dynamics was used to understand the oxidation processes on the surface. The molecular dynamics simulations were compared to molecular beam experiments and good qualitative agreement was observed. The simulations reproduced cylindrical pitting observed in the experiments where oxidation was rapid and primarily occurred around a defect. However, the studies were limited to small systems at low temperatures and could simulate time scales only of the order of nanoseconds. Molecular beam experiments at high surface temperature indicated that a majority of surface reaction products were produced through thermal mechanisms. Since the reactions were thermal, they occurred over long time scales which were computationally prohibitive for molecular dynamics to simulate. The experiments provided detailed dynamical data on the scattering of O, O2, CO, and CO2 and it was found that the data from molecular beam experiments could be used directly to build a model. The data was initially used to deduce surface reaction probabilities at 800 K. The reaction probabilities were then incorporated into the direct simulation Monte Carlo (DSMC) method. Simulations were performed where the microstructure was resolved and dissociated oxygen convected and diffused towards it. For a gas-surface temperature of 800 K, it was found that despite CO being the dominant surface reaction product, a gas-phase reaction forms significant CO2 within the microstructure region. It was also found that surface area did not play any role in concentration of reaction products because the reaction probabilities were in the diffusion dominant regime. The molecular beam data at different surface temperatures was then used to build a finite rate model. Each reaction mechanism and all rate parameters of the new model were determined individually based on the molecular beam data. Despite the experiments being performed at near vacuum conditions, the finite rate model developed using the data could be used at pressures and temperatures relevant to hypersonic conditions. The new model was implemented in a computational fluid dynamics (CFD) solver and flow over a hypersonic vehicle was simulated. The new model predicted similar overall mass loss rates compared to existing models, however, the individual species production rates were completely different. The most notable difference was that the new model (based on molecular beam data) predicts CO as the oxidation reaction product with virtually no CO2 production, whereas existing models predict the exact opposite trend. CO being the dominant oxidation product is consistent with recent high enthalpy wind tunnel experiments. The discovery that measurements taken in molecular beam facilities are able to determine individual reaction mechanisms, including dependence on surface coverage, opens up an entirely new way of constructing ablation models.

Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces.

PubMed

Causa, F; Della Moglie, R; Iaccino, E; Mimmi, S; Marasco, D; Scognamiglio, P L; Battista, E; Palmieri, C; Cosenza, C; Sanguigno, L; Quinto, I; Scala, G; Netti, P A

2013-01-01

There is a growing interest in identifying biomacromolecules such as proteins and peptides to functionalize metallic surfaces through noncovalent binding. One method for functionalizing materials without fundamentally changing their inherent structure is using biorecognition moieties. Here, we proved a general route to select a biomolecule adhesive motif for surface functionalization by comprehensively screening phage displayed peptides. In particular, we selected a genetically engineered M13 bacteriophage and a linear dodecapeptide derived from its pIII domain for recognizing gold surfaces in a specific and selective manner. In the phage context, we demonstrated the adhesive motif was capable to adsorb on gold in a preferential way with a morphological and viscoelastic signature of the adsorbed layer as evidenced by QCM-D and AFM investigations. Out of the phage context, the linear dodecapeptide is reproducibly found to adhere to the gold surface, and by quantitative SPR measurements, high affinity constants (K(eq)~10(6)M(-1), binding energy ~-8 kcal/mol) were determined. We proved that the interactions occurring at gold interface were mainly hydrophobic as a consequence of high frequency of hydrophobic residues in the peptide sequence. Moreover, by CD, molecular dynamics and steered molecular dynamics, we demonstrated that the molecular flexibility only played a minor role in the peptide adsorption. Such noncovalent but specific modification of inorganic surfaces through high affinity biomolecule adsorption represents a general strategy to modulate the functionality of multipurpose metallic surfaces. Copyright © 2012 Elsevier Inc. All rights reserved.

Feedback mechanisms between snow and atmospheric mercury: Results and observations from field campaigns on the Antarctic plateau.

PubMed

Spolaor, Andrea; Angot, Hélène; Roman, Marco; Dommergue, Aurélien; Scarchilli, Claudio; Vardè, Massimiliano; Del Guasta, Massimo; Pedeli, Xanthi; Varin, Cristiano; Sprovieri, Francesca; Magand, Olivier; Legrand, Michel; Barbante, Carlo; Cairns, Warren R L

2018-04-01

The Antarctic Plateau snowpack is an important environment for the mercury geochemical cycle. We have extensively characterized and compared the changes in surface snow and atmospheric mercury concentrations that occur at Dome C. Three summer sampling campaigns were conducted between 2013 and 2016. The three campaigns had different meteorological conditions that significantly affected mercury deposition processes and its abundance in surface snow. In the absence of snow deposition events, the surface mercury concentration remained stable with narrow oscillations, while an increase in precipitation results in a higher mercury variability. The Hg concentrations detected confirm that snowfall can act as a mercury atmospheric scavenger. A high temporal resolution sampling experiment showed that surface concentration changes are connected with the diurnal solar radiation cycle. Mercury in surface snow is highly dynamic and it could decrease by up to 90% within 4/6 h. A negative relationship between surface snow mercury and atmospheric concentrations has been detected suggesting a mutual dynamic exchange between these two environments. Mercury concentrations were also compared with the Br concentrations in surface and deeper snow, results suggest that Br could have an active role in Hg deposition, particularly when air masses are from coastal areas. This research presents new information on the presence of Hg in surface and deeper snow layers, improving our understanding of atmospheric Hg deposition to the snow surface and the possible role of re-emission on the atmospheric Hg concentration. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fabrication of phytic acid sensor based on mixed phytase-lipid Langmuir-Blodgett films.

PubMed

Caseli, Luciano; Moraes, Marli L; Zucolotto, Valtencir; Ferreira, Marystela; Nobre, Thatyane M; Zaniquelli, Maria Elisabete D; Rodrigues Filho, Ubirajara P; Oliveira, Osvaldo N

2006-09-26

This paper reports the surface activity of phytase at the air-water interface, its interaction with lipid monolayers, and the construction of a new phytic acid biosensor on the basis of the Langmuir-Blodgett (LB) technique. Phytase was inserted in the subphase solution of dipalmitoylphosphatidylglycerol (DPPG) Langmuir monolayers, and its incorporation to the air-water interface was monitored with surface pressure measurements. Phytase was able to incorporate into DPPG monolayers even at high surface pressures, ca. 30 mN/m, under controlled ionic strength, pH, and temperature. Mixed Langmuir monolayers of phytase and DPPG were characterized by surface pressure-area and surface potential-area isotherms, and the presence of the enzyme provided an expansion in the monolayers (when compared to the pure lipid at the interface). The enzyme incorporation also led to significant changes in the equilibrium surface compressibility (in-plane elasticity), especially in liquid-expanded and liquid-condensed regions. The dynamic surface elasticity for phytase-containing interfaces was investigated using harmonic oscillation and axisymmetric drop shape analysis. The insertion of the enzyme at DPPG monolayers caused an increase in the dynamic surface elasticity at 30 mN m(-)(1), indicating a strong interaction between the enzyme and lipid molecules at a high-surface packing. Langmuir-Blodgett (LB) films containing 35 layers of mixed phytase-DPPG were characterized by ultraviolet-visible and fluorescence spectroscopy and crystal quartz microbalance nanogravimetry. The ability in detecting phytic acid was studied with voltammetric measurements.

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

NASA Astrophysics Data System (ADS)

Lee, Seung-Mahn

2003-10-01

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

Dynamical resonances in the fluorine atom reaction with the hydrogen molecule.

PubMed

Yang, Xueming; Zhang, Dong H

2008-08-01

[Reaction: see text]. The concept of transition state has played a crucial role in the field of chemical kinetics and reaction dynamics. Resonances in the transition state region are important in many chemical reactions at reaction energies near the thresholds. Detecting and characterizing isolated reaction resonances, however, have been a major challenge in both experiment and theory. In this Account, we review the most recent developments in the study of reaction resonances in the benchmark F + H 2 --> HF + H reaction. Crossed molecular beam scattering experiments on the F + H 2 reaction have been carried out recently using the high-resolution, highly sensitive H-atom Rydberg tagging technique with HF rovibrational states almost fully resolved. Pronounced forward scattering for the HF (nu' = 2) product has been observed at the collision energy of 0.52 kcal/mol in the F + H 2 (j = 0) reaction. Quantum dynamical calculations based on two new potential energy surfaces, the Xu-Xie-Zhang (XXZ) surface and the Fu-Xu-Zhang (FXZ) surface, show that the observed forward scattering of HF (nu' = 2) in the F + H 2 reaction is caused by two Feshbach resonances (the ground resonance and first excited resonance). More interestingly, the pronounced forward scattering of HF (nu' = 2) at 0.52 kcal/mol is enhanced considerably by the constructive interference between the two resonances. In order to probe the resonance potential more accurately, the isotope substituted F + HD --> HF + D reaction has been studied using the D-atom Rydberg tagging technique. A remarkable and fast changing dynamical picture has been mapped out in the collision energy range of 0.3-1.2 kcal/mol for this reaction. Quantum dynamical calculations based on the XXZ surface suggest that the ground resonance on this potential is too high in comparison with the experimental results of the F + HD reaction. However, quantum scattering calculations on the FXZ surface can reproduce nearly quantitatively the resonance picture of the F + HD reaction observed in the experiment. It is clear that the dynamics of the F + HD reaction below the threshold was dominated by the ground resonance state. Furthermore, the forward scattering HF (nu' = 3) channel from the F + H 2 ( j = 0) reaction was investigated and was attributed mainly to a slow-down mechanism over the centrifugal exit barrier, with small contributions from a shape resonance mechanism in a narrow collision energy range. A striking effect of the reagent rotational excitation on resonance was also observed in F + H 2 ( j = 1), in comparison with F + H 2 ( j = 0). From these concerted experimental and theoretical studies, a clear physical picture of the reaction resonances in this benchmark reaction has emerged, providing a textbook example of dynamical resonances in elementary chemical reactions.

Dynamics of Charge Carriers in Silicon Nanowire Photoconductors Revealed by Photo Hall Effect Measurements.

PubMed

Chen, Kaixiang; Zhao, Xiaolong; Mesli, Abdelmadjid; He, Yongning; Dan, Yaping

2018-04-24

Photoconductors have extraordinarily high gain in quantum efficiency, but the origin of the gain has remained in dispute for decades. In this work, we employ photo Hall effect to reveal the gain mechanisms by probing the dynamics of photogenerated charge carriers in silicon nanowire photoconductors. The results reveal that a large number of photogenerated minority electrons are localized in the surface depletion region and surface trap states. The same number of excess hole counterparts is left in the nanowire conduction channel, resulting in the fact that excess holes outnumber the excess electrons in the nanowire conduction channel by orders of magnitude. The accumulation of the excess holes broadens the conduction channel by narrowing down the depletion region, which leads to the experimentally observed high photo gain.

Mechanism of equivalent electric dipole oscillation for high-order harmonic generation from grating-structured solid-surface by femtosecond laser pulse

NASA Astrophysics Data System (ADS)

Wang, Yang; Song, Hai-Ying; Liu, H. Y.; Liu, Shi-Bing

2017-07-01

We theoretically study high-order harmonic generation (HHG) from relativistically driven overdense plasma targets with rectangularly grating-structured surfaces by femtosecond laser pulses. Our particle-in-cell (PIC) simulations show that, under the conditions of low laser intensity and plasma density, the harmonics emit principally along small angles deviating from the target surface. Further investigation of the surface electron dynamics reveals that the electron bunches are formed by the interaction between the laser field and the target surface, giving rise to the oscillation of equivalent electric-dipole (OEED), which enhances specific harmonic orders. Our work helps understand the mechanism of harmonic emissions from grating targets and the distinction from the planar harmonic scheme.

Dynamic recrystallization in friction surfaced austenitic stainless steel coatings

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

Puli, Ramesh, E-mail: rameshpuli2000@gmail.com; Janaki Ram, G.D.

2012-12-15

Friction surfacing involves complex thermo-mechanical phenomena. In this study, the nature of dynamic recrystallization in friction surfaced austenitic stainless steel AISI 316L coatings was investigated using electron backscattered diffraction and transmission electron microscopy. The results show that the alloy 316L undergoes discontinuous dynamic recrystallization under conditions of moderate Zener-Hollomon parameter during friction surfacing. - Highlights: Black-Right-Pointing-Pointer Dynamic recrystallization in alloy 316L friction surfaced coatings is examined. Black-Right-Pointing-Pointer Friction surfacing leads to discontinuous dynamic recrystallization in alloy 316L. Black-Right-Pointing-Pointer Strain rates in friction surfacing exceed 400 s{sup -1}. Black-Right-Pointing-Pointer Estimated grain size matches well with experimental observations in 316L coatings.

Unsteady pressure and structural response measurements of an elastic supercritical wing

NASA Technical Reports Server (NTRS)

Eckstrom, Clinton V.; Seidel, David A.; Sandford, Maynard C.

1988-01-01

Results are presented which define unsteady flow conditions associated with high dynamic response experienced on a high aspect ratio elastic supercritical wing at transonic test conditions while being tested in the NASA Langley Transonic Dynamics Tunnel. The supercritical wing, designed for a cruise Mach number of 0.80, experienced the high dynamic response in the Mach number range from 0.90 to 0.94 with the maximum response occurring at a Mach number of approximately 0.92. At the maximum wing response condition the forcing function appears to be the oscillatory chordwise movement of strong shocks located on both the wing upper and lower surfaces in conjunction with the flow separating and reattaching in the trailing edge region.

Unsteady pressure and structural response measurements on an elastic supercritical wing

NASA Technical Reports Server (NTRS)

Eckstrom, Clinton V.; Seidel, David A.; Sandford, Maynard C.

1988-01-01

Results are presented which define unsteady flow conditions associated with high dynamic response experienced on a high aspect ratio elastic supercritical wing at transonic test conditions while being tested in the NASA Langley Transonic Dynamics Tunnel. The supercritical wing, designed for a cruise Mach number of 0.80, experienced the high dynamic response in the Mach number range from 0.90 to 0.94 with the maximum response occurring at a Mach number of approximately 0.92. At the maximum wing response condition the forcing function appears to be the oscillatory chordwise movement of strong shocks located on both the wing upper and lower surfaces in conjuction with the flow separating and reattaching in the trailing edge region.

Gordon Research Conference on High Temperature Chemistry (1982), Tilton School, Tilton, New Hampshire, July 26-30, 1982.

DTIC Science & Technology

1982-08-01

Session on Recent Advances in High Temperature Chemistry’ Thursday. July 29 Ab Initio Calculations of Molecular W. Weltner, Discussion Leader Structure...atomic fluorescence 13 R. Schoonmaker, Oberlin College: "Scattering of molecular beams from surfaces, dynamics of gas-surface interactions and the...Air Force Geophys. Lab., Ianscom, AFB ,iA Group V1310, lela Park, Cleveland, OH 44112 01731 Saboungi, Marie-Louise off campus Myers, Clifford and

Investigations of charged particle motion on the surfaces of dusty, airless solar system bodies (Invited)

NASA Astrophysics Data System (ADS)

Dove, A.; Colwell, J. E.

2013-12-01

Dynamic charging conditions exist on the dusty surfaces of planetary bodies such as the Moon, asteroids, and the moons of Mars. On these so-called 'airless bodies', the motions of dust particles above the surface become complex due to grain-grain and grain-plasma interactions. For example, tribocharging and other charge transfer processes can occur due to relative dust grain movements, and charged dust grains immersed in plasma interact with local electromagnetic forces. This is thought to lead to effects such as the lunar 'horizon glow,' (Rennilson and Criswell, 1974, The Moon, 10) and potential dusty 'fountains' above the lunar surface (Stubbs et al., 2006, Adv. Sp. Res., 37). Regolith grains can be mobilized by impacts or other mechanical disturbances, or simply by the Coulomb force acting on grains. Previous work has increased our theoretical understanding of the behavior of charged particles in these low-gravity environments (i.e. Poppe and Horanyi, 2010, JGR, A115; Colwell et al., 2007, Rev. Geophys., 45 (and references therein)). Experimental work has also analyzed grain surface charging due to plasma or tribocharging (Sickafoose et al., 2001, JGR, 106) and the motion of grains on surfaces in the presence of an electric field (Wang et al., 2009, JGR, 114). Occasionally, there is disagreement between theoretical predictions and observations. We present the results of new laboratory experiments aimed at understanding particle charging and the dynamics of charged particles on the surfaces of airless bodies. In the initial experiments, we analyze the motion of particles in the presence of an electric field in vacuum, either in a bell-jar or in a 0.75-second microgravity drop tower experiment box. Prior to motion, particles may be charged due to triboelectric effects, plasma interactions, or a combination of the two. Motion is induced by shaking or by low-velocity impacts in order to simulate the natural motion of slow-moving objects on regolith surfaces, or induced motion such as that due to a spacecraft. The resulting particle dynamics are tracked using high-speed, high-resolution video. Future exploration on or near the surfaces of airless bodies will certainly experience complications arising from these dusty environments, where particles may contaminate or interfere with the operation of almost any mechanical equipment. By exploring the dynamic behavior of charged particles in these environments, we can work towards solutions that will enable exploration.

Dynamic fracture of the surface of an aluminum alloy under conditions of high-speed erosion

NASA Astrophysics Data System (ADS)

Petrov, Yu. V.; Atroshenko, S. A.; Kazarinov, N. A.; Evstifeev, A. D.; Solov'ev, V. Yu.

2017-04-01

The kinetics of fracture and deformation of the standard aluminum alloy AD1 and a similar alloy subjected to severe plastic deformation by high-pressure torsion under conditions of high-speed erosion has been investigated. It has been shown that, with an increase in the loading rate, the fraction of the brittle component on the fracture surface of the standard material, as well as the thickness of the damaged layer, increases more significantly than that for the material after the severe plastic deformation by high-pressure torsion. A relationship of the surface roughness of the material after the erosion with the loading rate and the thickness of the erosion-damaged layer has been established.

Spin-symmetry conversion and internal rotation in high J molecular systems

NASA Astrophysics Data System (ADS)

Mitchell, Justin; Harter, William

2006-05-01

Dynamics and spectra of molecules with internal rotation or rovibrational coupling is approximately modeled by rigid or semi-rigid rotors with attached gyroscopes. Using Rotational Energy (RE)^1 surfaces, high resolution molecular spectra for high angular momentum show two distinct but related phenomena; spin-symmetry conversion and internal rotation. For both cases the high total angular momentum allows for transitions that would otherwise be forbidden. Molecular body-frame J-localization effects associated with tight energy level-clusters dominate the rovibronic spectra of high symmetry molecules, particularly spherical tops at J>10. ^2 The effects include large and widespread spin-symmetry mixing contrary to conventional wisdom^3 about weak nuclear moments. Such effects are discussed showing how RE surface plots may predict them even at low J. Classical dynamics of axially constrained rotors are approximated by intersecting rotational-energy-surfaces (RES) that have (J-S).B.(J-S) forms in the limit of constraints that do no work. Semi-classical eigensolutions are compared to those found by direct diagonalization. ^1 W.G Hater, in Handbook of Atomic, Molecular and Optical Physics, edited by G.W.F Drake (Springer, Germany 2006) ^2 W. G. Harter, Phys. Rev. A24,192-262(1981). ^3 G. Herzberg, Infrared and Raman Spectra (VanNostrand 1945) pp. 458,463.

A Digital Map From External Forcing to the Final Surface Warming Pattern and its Seasonal Cycle

NASA Astrophysics Data System (ADS)

Cai, M.

2015-12-01

Historically, only the thermodynamic processes (e.g., water vapor, cloud, surface albedo, and atmospheric lapse rate) that directly influence the top of the atmosphere (TOA) radiative energy flux balance are considered in climate feedback analysis. One of my recent research areas is to develop a new framework for climate feedback analysis that explicitly takes into consideration not only the thermodynamic processes that the directly influence the TOA radiative energy flux balance but also the local dynamical (e.g., evaporation, surface sensible heat flux, vertical convections etc) and non-local dynamical (large-scale horizontal energy transport) processes in aiming to explain the warming asymmetry between high and low latitudes, between ocean and land, and between the surface and atmosphere. In the last 5-6 years, we have developed a coupled atmosphere-surface climate feedback-response analysis method (CFRAM) as a new framework for estimating climate feedback and sensitivity in coupled general circulation models with a full physical parameterization package. In the CFRAM, the isolation of partial temperature changes due to an external forcing alone or an individual feedback is achieved by solving the linearized infrared radiation transfer model subject to individual energy flux perturbations (external or due to feedbacks). The partial temperature changes are addable and their sum is equal to the (total) temperature change (in the linear sense). The CFRAM is used to isolate the partial temperature changes due to the external forcing, due to water vapor feedback, clouds, surface albedo, local vertical convection, and non-local atmospheric dynamical feedbacks, as well as oceanic heat storage. It has been shown that seasonal variations in the cloud feedback, surface albedo feedback, and ocean heat storage/dynamics feedback, directly caused by the strong annual cycle of insolation, contribute primarily to the large seasonal variation of polar warming. Furthermore, the CO2 forcing, and water vapor and atmospheric dynamics feedbacks add to the maximum polar warming in fall/winter.

A Flexible Spatiotemporal Method for Fusing Satellite Images with Different Resolutions

USDA-ARS?s Scientific Manuscript database

Studies of land surface dynamics in heterogeneous landscapes often require remote sensing data with high acquisition frequency and high spatial resolution. However, no single sensor meets this requirement. This study presents a new spatiotemporal data fusion method, the Flexible Spatiotemporal DAta ...

Design of a unit to produce hot distilled water for the same power consumption as a water heater

NASA Technical Reports Server (NTRS)

Bambenek, R. A.; Nuccio, P. P.

1973-01-01

Unit recovers 97% of water contained in pretreated waste water. Some factors are: cleansing agent prevents fouling of heat transfer surface by highly concentrated waste; absence of dynamic seals reduces required purge gas flow rate; and recycle loop maintains constant flushing process to carry cleansing agent across evaporation surface.

Tightly Coupled Mechanistic Study of Materials in the Extreme Space Environment

DTIC Science & Technology

2016-10-11

to examine spacecraft contamination issues from the perspective of non- equilibrium gas dynamics (Levin), material response at the atomistic level...Space Environment Group has worked to examine spacecraft contamination issues from the perspective of non- equilibrium gas dynamics (Levin...material response at the atomistic level (Rajan), high fidelity gas -surface chemistry models (van Duin), and experiments to characterize and test

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

PubMed Central

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-01-01

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries. PMID:28443608

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

NASA Astrophysics Data System (ADS)

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; Celio, Hugo; Park, Suhyeon; Cho, Jaephil; Manthiram, Arumugam

2017-04-01

Undesired electrode-electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species. By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.

Modified Mason number for charged paramagnetic colloidal suspensions

NASA Astrophysics Data System (ADS)

Du, Di; Hilou, Elaa; Biswal, Sibani Lisa

2016-06-01

The dynamics of magnetorheological fluids have typically been described by the Mason number, a governing parameter defined as the ratio between viscous and magnetic forces in the fluid. For most experimental suspensions of magnetic particles, surface forces, such as steric and electrostatic interactions, can significantly influence the dynamics. Here we propose a theory of a modified Mason number that accounts for surface forces and show that this modified Mason number is a function of interparticle distance. We demonstrate that this modified Mason number is accurate in describing the dynamics of a rotating pair of paramagnetic colloids of identical or mismatched sizes in either high or low salt solutions. The modified Mason number is confirmed to be pseudoconstant for particle pairs and particle chains undergoing a stable-metastable transition during rotation. The interparticle distance term can be calculated using theory or can be measured experimentally. This modified Mason number is more applicable to magnetorheological systems where surface forces are not negligible.

Surface changes in the North Atlantic meridional overturning circulation during the last millennium

PubMed Central

Wanamaker, Alan D.; Butler, Paul G.; Scourse, James D.; Heinemeier, Jan; Eiríksson, Jón; Knudsen, Karen Luise; Richardson, Christopher A.

2012-01-01

Despite numerous investigations, the dynamical origins of the Medieval Climate Anomaly and the Little Ice Age remain uncertain. A major unresolved issue relating to internal climate dynamics is the mode and tempo of Atlantic meridional overturning circulation variability, and the significance of decadal-to-centennial scale changes in Atlantic meridional overturning circulation strength in regulating the climate of the last millennium. Here we use the time-constrained high-resolution local radiocarbon reservoir age offset derived from an absolutely dated annually resolved shell chronology spanning the past 1,350 years, to reconstruct changes in surface ocean circulation and climate. The water mass tracer data presented here from the North Icelandic shelf, combined with previously published data from the Arctic and subtropical Atlantic, show that surface Atlantic meridional overturning circulation dynamics likely amplified the relatively warm conditions during the Medieval Climate Anomaly and the relatively cool conditions during the Little Ice Age within the North Atlantic sector. PMID:22692542

Surface changes in the North Atlantic meridional overturning circulation during the last millennium.

PubMed

Wanamaker, Alan D; Butler, Paul G; Scourse, James D; Heinemeier, Jan; Eiríksson, Jón; Knudsen, Karen Luise; Richardson, Christopher A

2012-06-12

Despite numerous investigations, the dynamical origins of the Medieval Climate Anomaly and the Little Ice Age remain uncertain. A major unresolved issue relating to internal climate dynamics is the mode and tempo of Atlantic meridional overturning circulation variability, and the significance of decadal-to-centennial scale changes in Atlantic meridional overturning circulation strength in regulating the climate of the last millennium. Here we use the time-constrained high-resolution local radiocarbon reservoir age offset derived from an absolutely dated annually resolved shell chronology spanning the past 1,350 years, to reconstruct changes in surface ocean circulation and climate. The water mass tracer data presented here from the North Icelandic shelf, combined with previously published data from the Arctic and subtropical Atlantic, show that surface Atlantic meridional overturning circulation dynamics likely amplified the relatively warm conditions during the Medieval Climate Anomaly and the relatively cool conditions during the Little Ice Age within the North Atlantic sector.

Medial surface dynamics of an in vivo canine vocal fold during phonation

NASA Astrophysics Data System (ADS)

Döllinger, Michael; Berry, David A.; Berke, Gerald S.

2005-05-01

Quantitative measurement of the medial surface dynamics of the vocal folds is important for understanding how sound is generated within the larynx. Building upon previous excised hemilarynx studies, the present study extended the hemilarynx methodology to the in vivo canine larynx. Through use of an in vivo model, the medial surface dynamics of the vocal fold were examined as a function of active thyroarytenoid muscle contraction. Data were collected using high-speed digital imaging at a sampling frequency of 2000 Hz, and a spatial resolution of 1024×1024 pixels. Chest-like and fry-like vibrations were observed, but could not be distinguished based on the input stimulation current to the recurrent laryngeal nerve. The subglottal pressure did distinguish the registers, as did an estimate of the thyroarytenoid muscle activity. Upon quantification of the three-dimensional motion, the method of Empirical Eigenfunctions was used to extract the underlying modes of vibration, and to investigate mechanisms of sustained oscillation. Results were compared with previous findings from excised larynx experiments and theoretical models. .

Bone char surface modification by nano-gold coating for elemental mercury vapor removal

NASA Astrophysics Data System (ADS)

Assari, Mohamad javad; Rezaee, Abbas; Rangkooy, Hossinali

2015-07-01

The present work was done to develop a novel nanocomposite using bone char coated with nano-gold for capture of elemental mercury (Hg0) from air. The morphologies, structures, and chemical constitute of the prepared nanocomposite were evaluated by UV-VIS-NIR, dynamic light-scattering (DLS), X-ray diffraction (XRD), transmission electron microscopy (TEM), Fourier transform infra-red (FTIR) spectroscopy, and energy dispersive X-ray spectroscopy (EDS). The capture performance of nanocomposite was evaluated in a needle trap for mercury vapor. An on-line setup based on cold vapor atomic absorption spectrometry (CVAAS) was designed for Hg0 determination. Dynamic capacity of nanocomposite for Hg0 was shown high efficient operating capacity of 586.7 μg/g. As temperature increases, the dynamic adsorption capacity of the nanocomposite was decreased, which are characteristics of physicosorption processes. It was found that the surface modification of bone char with nano-gold has various advantages such as high operating dynamic adsorption capacity and low cost preparation. It was also demonstrated that the developed nanocomposite is suitable for on-line monitoring of Hg0. It could be applied for the laboratory and field studies.

Phase-slope and phase measurements of tunable CW-THz radiation with terahertz comb for wide-dynamic-range, high-resolution, distance measurement of optically rough object.

PubMed

Yasui, Takeshi; Fujio, Makoto; Yokoyama, Shuko; Araki, Tsutomu

2014-07-14

Phase measurement of continuous-wave terahertz (CW-THz) radiation is a potential tool for direct distance and imaging measurement of optically rough objects due to its high robustness to optical rough surfaces. However, the 2π phase ambiguity in the phase measurement of single-frequency CW-THz radiation limits the dynamic range of the measured distance to the order of the wavelength used. In this article, phase-slope measurement of tunable CW-THz radiation with a THz frequency comb was effectively used to extend the dynamic range up to 1.834 m while maintaining an error of a few tens µm in the distance measurement of an optically rough object. Furthermore, a combination of phase-slope measurement of tunable CW-THz radiation and phase measurement of single-frequency CW-THz radiation enhanced the distance error to a few µm within the dynamic range of 1.834 m without any influence from the 2π phase ambiguity. The proposed method will be a powerful tool for the construction and maintenance of large-scale structures covered with optically rough surfaces.

Doppler spectra of airborne ultrasound forward scattered by the rough surface of open channel turbulent water flows.

PubMed

Dolcetti, Giulio; Krynkin, Anton

2017-11-01

Experimental data are presented on the Doppler spectra of airborne ultrasound forward scattered by the rough dynamic surface of an open channel turbulent flow. The data are numerically interpreted based on a Kirchhoff approximation for a stationary random water surface roughness. The results show a clear link between the Doppler spectra and the characteristic spatial and temporal scales of the water surface. The decay of the Doppler spectra is proportional to the velocity of the flow near the surface. At higher Doppler frequencies the measurements show a less steep decrease of the Doppler spectra with the frequency compared to the numerical simulations. A semi-empirical equation for the spectrum of the surface elevation in open channel turbulent flows over a rough bed is provided. The results of this study suggest that the dynamic surface of open channel turbulent flows can be characterized remotely based on the Doppler spectra of forward scattered airborne ultrasound. The method does not require any equipment to be submerged in the flow and works remotely with a very high signal to noise ratio.

Multiscale Investigations of the Early Stage Oxidation on Cu Surfaces

NASA Astrophysics Data System (ADS)

Zhu, Qing; Xiao, Penghao; Lian, Xin; Yang, Shen-Che; Henkelman, Grame; Saidi, Wissam; Yang, Judith; University of Pittsburgh Team; University of Texas at Austin Team

Previous in situ TEM experiments have shown that the oxidation of the three low index Cu surfaces (100), (110) and (111) exhibit different oxide nucleation rates, and the resulting oxides have 3-dimensional (3D) island shapes or 2D rafts under different conditions. In order to better understand these results, we have investigated the early stages of Cu oxidation using a multiscale computational approach that employs density functional theory (DFT), reactive force field (ReaxFF), and kinetic Mote Carlo (KMC). With DFT calculation, we have compared O2 dissociation barriers on Cu (100), (110) and (111) surfaces at high oxygen coverage to evaluate the kinetic barrier of sublayer oxidization. We found that O2 dissociation barriers on Cu(111) surface are all lower than those on (110) and (100) surfaces. This trend agrees with experimental observations that (111) surface is easier to oxidize. These DFT calculated energy barriers are then incorporated into KMC simulations. The large scale ReaxFF molecular dynamics and KMC simulations detail the oxidation dynamics of the different Cu surfaces, and show the formation of various oxide morphologies that are consistent with experimental observations.

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.

Dynamical and thermodynamical coupling between the North Atlantic subtropical high and the marine boundary layer clouds in boreal summer

NASA Astrophysics Data System (ADS)

Wei, Wei; Li, Wenhong; Deng, Yi; Yang, Song; Jiang, Jonathan H.; Huang, Lei; Liu, W. Timothy

2018-04-01

This study investigates dynamical and thermodynamical coupling between the North Atlantic subtropical high (NASH), marine boundary layer (MBL) clouds, and the local sea surface temperatures (SSTs) over the North Atlantic in boreal summer for 1984-2009 using NCEP/DOE Reanalysis 2 dataset, various cloud data, and the Hadley Centre sea surface temperature. On interannual timescales, the summer mean subtropical MBL clouds to the southeast of the NASH is actively coupled with the NASH and local SSTs: a stronger (weaker) NASH is often accompanied with an increase (a decrease) of MBL clouds and abnormally cooler (warmer) SSTs along the southeast flank of the NASH. To understand the physical processes between the NASH and the MBL clouds, the authors conduct a data diagnostic analysis and implement a numerical modeling investigation using an idealized anomalous atmospheric general circulation model (AGCM). Results suggest that significant northeasterly anomalies in the southeast flank of the NASH associated with an intensified NASH tend to induce stronger cold advection and coastal upwelling in the MBL cloud region, reducing the boundary surface temperature. Meanwhile, warm advection associated with the easterly anomalies from the African continent leads to warming over the MBL cloud region at 700 hPa. Such warming and the surface cooling increase the atmospheric static stability, favoring growth of the MBL clouds. The anomalous diabatic cooling associated with the growth of the MBL clouds dynamically excites an anomalous anticyclone to its north and contributes to strengthening of the NASH circulation in its southeast flank. The dynamical and thermodynamical couplings and their associated variations in the NASH, MBL clouds, and SSTs constitute an important aspect of the summer climate variability over the North Atlantic.

Topography and Radiative Forcing Patterns on Glaciers in the Karakoram Himalaya

NASA Astrophysics Data System (ADS)

Dobreva, I. D.; Bishop, M. P.; Liu, J. C.; Liang, D.

2015-12-01

Glaciers in the western Himalaya exhibit significant spatial variations in morphology and dynamics. Climate, topography and debris cover variations are thought to significantly affect glacier fluctuations and glacier sensitivity to climate change, although the role of topography and radiative forcing have not been adequately characterized and related to glacier fluctuations and dynamics. Consequently, we examined the glaciers in the Karakoram Himalaya, as they exhibit high spatial variability in glacier fluctuation rates and ice dynamics including flow velocity and surging. Specifically, we wanted to examine the relationships between these glacier characteristics and temporal patterns of surface irradiance over the ablation season. To accomplish this, we developed and used a rigorous GIS-based solar radiative transfer model that accounts for the direct and diffuse-skylight irradiance components. The model accounts for multiple topographic effects on the magnitude of irradiance reaching glacier surfaces. We specifically used the ASTER GDEM digital elevation model for irradiance simulations. We then examined temporal patterns of irradiance at the grid-cell level to identify the dominant patterns that were used to train a 3-layer artificial neural network. Our results demonstrate that there are unique spatial and temporal patterns associated with downwasting and surging glaciers, and that these patterns partially account for the spatial distribution of advancing and retreating glaciers. Lower-altitude terminus regions of surging glaciers exhibited relatively low surface irradiance values that decreased in magnitude with time, demonstrating that high-velocity surging glaciers facilitate relief production and exhibit steeper surface irradiance gradients with altitude. Collectively, these results demonstrate the important role that local and regional topography play in governing climate-glacier dynamics in the Himalaya.

Self-calibrated dynamical optical biochip system using surface plasmon resonance imaging: application to genotyping

NASA Astrophysics Data System (ADS)

Hottin, Jérôme; Moreau, Julien; Spadavecchia, Jolanda; Bellemain, Alain; Lecerf, Laure; Goossens, Michel; Canva, Michael

2008-04-01

The present paper summarizes some of our work in the field of genetic diagnosis using Surface Plasmon Resonance Imaging. The optical setup and its capability are presented, as well as the gold surface functionalization used. Results obtained with oligonucleotides targets, specific to Cystic Fibrosis disease, in high and low concentration are shown. The self-calibration method we have developed to reduce data dispersion in genetic diagnosis applications is described.

Dynamic Defrosting on Scalable Superhydrophobic Surfaces

DOE PAGES

Murphy, Kevin R.; McClintic, William T.; Lester, Kevin C.; ...

2017-06-27

Recent studies have shown that frost can grow in a suspended Cassie state on nanostructured superhydrophobic surfaces. During defrosting, the melting sheet of Cassie frost spontaneously dewets into quasi-spherical slush droplets that are highly mobile. Promoting Cassie frost would therefore seem advantageous from a defrosting standpoint; however, nobody has systematically compared the efficiency of defrosting Cassie ice versus defrosting conventional surfaces. Here, we characterize the defrosting of an aluminum plate, one-half of which exhibits a superhydrophobic nanostructure while the other half is smooth and hydrophobic. For thick frost sheets (>1 mm), the superhydrophobic surface was able to dynamically shed themore » meltwater, even at very low tilt angles. In contrast, the hydrophobic surface was unable to shed any appreciable meltwater even at a 90° tilt angle. For thin frost layers (≲1 mm), not even the superhydrophobic surface could mobilize the meltwater. We attribute this to the large apparent contact angle of the meltwater, which for small amounts of frost serves to minimize coalescence events and prevent droplets from approaching the capillary length. Finally, we demonstrate a new mode of dynamic defrosting using an upside-down surface orientation, where the melting frost was able to uniformly detach from the superhydrophobic side and subsequently pull the frost from the hydrophobic side in a chain reaction. Treating surfaces to enable Cassie frost is therefore very desirable for enabling rapid and low-energy thermal defrosting, but only for frost sheets that are sufficiently thick.« less

Dynamic Defrosting on Scalable Superhydrophobic Surfaces.

PubMed

Murphy, Kevin R; McClintic, William T; Lester, Kevin C; Collier, C Patrick; Boreyko, Jonathan B

2017-07-19

Recent studies have shown that frost can grow in a suspended Cassie state on nanostructured superhydrophobic surfaces. During defrosting, the melting sheet of Cassie frost spontaneously dewets into quasi-spherical slush droplets that are highly mobile. Promoting Cassie frost would therefore seem advantageous from a defrosting standpoint; however, nobody has systematically compared the efficiency of defrosting Cassie ice versus defrosting conventional surfaces. Here, we characterize the defrosting of an aluminum plate, one-half of which exhibits a superhydrophobic nanostructure while the other half is smooth and hydrophobic. For thick frost sheets (>1 mm), the superhydrophobic surface was able to dynamically shed the meltwater, even at very low tilt angles. In contrast, the hydrophobic surface was unable to shed any appreciable meltwater even at a 90° tilt angle. For thin frost layers (≲1 mm), not even the superhydrophobic surface could mobilize the meltwater. We attribute this to the large apparent contact angle of the meltwater, which for small amounts of frost serves to minimize coalescence events and prevent droplets from approaching the capillary length. Finally, we demonstrate a new mode of dynamic defrosting using an upside-down surface orientation, where the melting frost was able to uniformly detach from the superhydrophobic side and subsequently pull the frost from the hydrophobic side in a chain reaction. Treating surfaces to enable Cassie frost is therefore very desirable for enabling rapid and low-energy thermal defrosting, but only for frost sheets that are sufficiently thick.

Dynamic Defrosting on Scalable Superhydrophobic Surfaces

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

Murphy, Kevin R.; McClintic, William T.; Lester, Kevin C.

Recent studies have shown that frost can grow in a suspended Cassie state on nanostructured superhydrophobic surfaces. During defrosting, the melting sheet of Cassie frost spontaneously dewets into quasi-spherical slush droplets that are highly mobile. Promoting Cassie frost would therefore seem advantageous from a defrosting standpoint; however, nobody has systematically compared the efficiency of defrosting Cassie ice versus defrosting conventional surfaces. Here, we characterize the defrosting of an aluminum plate, one-half of which exhibits a superhydrophobic nanostructure while the other half is smooth and hydrophobic. For thick frost sheets (>1 mm), the superhydrophobic surface was able to dynamically shed themore » meltwater, even at very low tilt angles. In contrast, the hydrophobic surface was unable to shed any appreciable meltwater even at a 90° tilt angle. For thin frost layers (≲1 mm), not even the superhydrophobic surface could mobilize the meltwater. We attribute this to the large apparent contact angle of the meltwater, which for small amounts of frost serves to minimize coalescence events and prevent droplets from approaching the capillary length. Finally, we demonstrate a new mode of dynamic defrosting using an upside-down surface orientation, where the melting frost was able to uniformly detach from the superhydrophobic side and subsequently pull the frost from the hydrophobic side in a chain reaction. Treating surfaces to enable Cassie frost is therefore very desirable for enabling rapid and low-energy thermal defrosting, but only for frost sheets that are sufficiently thick.« less

High resolution modelling and observation of wind-driven surface currents in a semi-enclosed estuary

NASA Astrophysics Data System (ADS)

Nash, S.; Hartnett, M.; McKinstry, A.; Ragnoli, E.; Nagle, D.

2012-04-01

Hydrodynamic circulation in estuaries is primarily driven by tides, river inflows and surface winds. While tidal and river data can be quite easily obtained for input to hydrodynamic models, sourcing accurate surface wind data is problematic. Firstly, the wind data used in hydrodynamic models is usually measured on land and can be quite different in magnitude and direction from offshore winds. Secondly, surface winds are spatially-varying but due to a lack of data it is common practice to specify a non-varying wind speed and direction across the full extents of a model domain. These problems can lead to inaccuracies in the surface currents computed by three-dimensional hydrodynamic models. In the present research, a wind forecast model is coupled with a three-dimensional numerical model of Galway Bay, a semi-enclosed estuary on the west coast of Ireland, to investigate the effect of surface wind data resolution on model accuracy. High resolution and low resolution wind fields are specified to the model and the computed surface currents are compared with high resolution surface current measurements obtained from two high frequency SeaSonde-type Coastal Ocean Dynamics Applications Radars (CODAR). The wind forecast models used for the research are Harmonie cy361.3, running on 2.5 and 0.5km spatial grids for the low resolution and high resolution models respectively. The low-resolution model runs over an Irish domain on 540x500 grid points with 60 vertical levels and a 60s timestep and is driven by ECMWF boundary conditions. The nested high-resolution model uses 300x300 grid points on 60 vertical levels and a 12s timestep. EFDC (Environmental Fluid Dynamics Code) is used for the hydrodynamic model. The Galway Bay model has ten vertical layers and is resolved spatially and temporally at 150m and 4 sec respectively. The hydrodynamic model is run for selected hindcast dates when wind fields were highly energetic. Spatially- and temporally-varying wind data is provided by offline coupling with the wind forecast models. Modelled surface currents show good correlation with CODAR observed currents and the resolution of the surface wind data is shown to be important for model accuracy.

Precise determination of water exchanges on a mineral surface

DOE PAGES

Stack, Andrew G.; Borreguero, Jose M.; Prisk, Timothy R.; ...

2016-10-03

Solvent exchanges on solid surfaces and dissolved ions are a fundamental property important for understanding chemical reactions, but the rates of fast exchanges are poorly constrained. In this paper, we probed the diffusional motions of water adsorbed onto nanoparticles of the mineral barite (BaSO 4) using quasi-elastic neutron scattering (QENS) and classical molecular dynamics (MD) to reveal the complex dynamics of water exchange along mineral surfaces. QENS data as a function of temperature and momentum transfer (Q) were fit using scattering functions derived from MD trajectories. The simulations reproduce the dynamics measured in the experiments at ambient temperatures, but asmore » temperature is lowered the simulations overestimate slower motions. Decomposition of the MD-computed QENS intensity into contributions from adsorbed and unbound water shows that the majority of the signal arises from adsorbed species, although the dynamics of unbound water cannot be dismissed. The mean residence times of water on each of the four surface sites present on the barite {001} were calculated using MD: at room temperature the low barium site is 194 ps, whereas the high barium site contains two distributions of motions at 84 and 2.5 ps. These contrast to 13 ps residence time on both sulfate sites, with an additional surface diffusion exchange of 66 ps. Surface exchanges are similar to those of the aqueous ions calculated using the same force field: Ba aq 2+ is 208 ps and SO 4aq 2- is 5.8 ps. Finally, this work demonstrates how MD can be a reliable method to deconvolute solvent exchange reactions when quantitatively validated by QENS measurements.« less

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

NASA Astrophysics Data System (ADS)

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

2013-09-01

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

Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements.

PubMed

Nakajima, Kaoru; Nakanishi, Shunto; Lísal, Martin; Kimura, Kenji

2016-03-21

Elemental depth profiles of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n = 4, 6, 8) are measured using high-resolution Rutherford backscattering spectroscopy (HRBS). The profiles are compared with the results of molecular dynamics (MD) simulations. Both MD simulations and HRBS measurements show that the depth profiles deviate from the uniform stoichiometric composition in the surface region, showing preferential orientations of ions at the surface. The MD simulations qualitatively reproduce the observed HRBS profiles but the agreement is not satisfactory. The observed discrepancy is ascribed to the capillary waves. By taking account of the surface roughness induced by the capillary waves, the agreement becomes almost perfect.

Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements

NASA Astrophysics Data System (ADS)

Nakajima, Kaoru; Nakanishi, Shunto; Lísal, Martin; Kimura, Kenji

2016-03-01

Elemental depth profiles of 1-alkyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide ([CnMIM][TFSI], n = 4, 6, 8) are measured using high-resolution Rutherford backscattering spectroscopy (HRBS). The profiles are compared with the results of molecular dynamics (MD) simulations. Both MD simulations and HRBS measurements show that the depth profiles deviate from the uniform stoichiometric composition in the surface region, showing preferential orientations of ions at the surface. The MD simulations qualitatively reproduce the observed HRBS profiles but the agreement is not satisfactory. The observed discrepancy is ascribed to the capillary waves. By taking account of the surface roughness induced by the capillary waves, the agreement becomes almost perfect.

A flexible spatiotemporal method for fusing satellite images with different resolutions

Treesearch

Xiaolin Zhu; Eileen H. Helmer; Feng Gao; Desheng Liu; Jin Chen; Michael A. Lefsky

2016-01-01

Studies of land surface dynamics in heterogeneous landscapes often require remote sensing datawith high acquisition frequency and high spatial resolution. However, no single sensor meets this requirement. This study presents a new spatiotemporal data fusion method, the Flexible Spatiotemporal DAta Fusion (FSDAF) method, to generate synthesized frequent high spatial...

Long-term stability of Cu surface nanotips

NASA Astrophysics Data System (ADS)

Jansson, V.; Baibuz, E.; Djurabekova, F.

2016-07-01

Sharp nanoscale tips on the metal surfaces of electrodes enhance locally applied electric fields. Strongly enhanced electric fields trigger electron field emission and atom evaporation from the apexes of nanotips. Together, these processes may explain electric discharges in the form of small local arcs observed near metal surfaces in the presence of electric fields, even in ultra-high vacuum conditions. In the present work, we investigate the stability of nanoscale tips by means of computer simulations of surface diffusion processes on copper, the main material used in high-voltage electronics. We study the stability and lifetime of thin copper (Cu) surface nanotips at different temperatures in terms of diffusion processes. For this purpose we have developed a surface kinetic Monte Carlo (KMC) model where the jump processes are described by tabulated precalculated energy barriers. We show that tall surface features with high aspect ratios can be fairly stable at room temperature. However, the stability was found to depend strongly on the temperature: 13 nm nanotips with the major axes in the < 110> crystallographic directions were found to flatten down to half of the original height in less than 100 ns at temperatures close to the melting point, whereas no significant change in the height of these nanotips was observed after 10 {{μ }}{{s}} at room temperature. Moreover, the nanotips built up along the < 110> crystallographic directions were found to be significantly more stable than those oriented in the < 100> or < 111> crystallographic directions. The proposed KMC model has been found to be well-suited for simulating atomic surface processes and was validated against molecular dynamics simulation results via the comparison of the flattening times obtained by both methods. We also note that the KMC simulations were two orders of magnitude computationally faster than the corresponding molecular dynamics calculations.

High-resolution Mapping of Permafrost and Soil Freeze/thaw Dynamics in the Tibetan Plateau Based on Multi-sensor Satellite Observations

NASA Astrophysics Data System (ADS)

Zhang, W.; Yi, Y.; Yang, K.; Kimball, J. S.

2016-12-01

The Tibetan Plateau (TP) is underlain by the world's largest extent of alpine permafrost ( 2.5×106 km2), dominated by sporadic and discontinuous permafrost with strong sensitivity to climate warming. Detailed permafrost distributions and patterns in most of the TP region are still unknown due to extremely sparse in-situ observations in this region characterized by heterogeneous land cover and large temporal dynamics in surface soil moisture conditions. Therefore, satellite-based temperature and moisture observations are essential for high-resolution mapping of permafrost distribution and soil active layer changes in the TP region. In this study, we quantify the TP regional permafrost distribution at 1-km resolution using a detailed satellite data-driven soil thermal process model (GIPL2). The soil thermal model is calibrated and validated using in-situ soil temperature/moisture observations from the CAMP/Tibet field campaign (9 sites: 0-300 cm soil depth sampling from 1997-2007), a multi-scale soil moisture and temperature monitoring network in the central TP (CTP-SMTMN, 57 sites: 5-40 cm, 2010-2014) and across the whole plateau (China Meteorology Administration, 98 sites: 0-320 cm, 2000-2015). Our preliminary results using the CAMP/Tibet and CTP-SMTMN network observations indicate strong controls of surface thermal and soil moisture conditions on soil freeze/thaw dynamics, which vary greatly with underlying topography, soil texture and vegetation cover. For regional mapping of soil freeze/thaw and permafrost dynamics, we use the most recent soil moisture retrievals from the NASA SMAP (Soil Moisture Active Passive) sensor to account for the effects of temporal soil moisture dynamics on soil thermal heat transfer, with surface thermal conditions defined by MODIS (Moderate Resolution Imaging Spectroradiometer) land surface temperature records. Our study provides the first 1-km map of spatial patterns and recent changes of permafrost conditions in the TP.

Limitations on Inferring 3D Architecture and Dynamics From Surface Velocities in the India-Eurasia Collision Zone

NASA Astrophysics Data System (ADS)

Flesch, L.; Bendick, R.; Bischoff, S.

2018-02-01

Surface velocities derived from Global Positioning System observations and Quaternary fault slip rates measured throughout an extended region of high topography in South Asia vary smoothly over thousands of kilometers and are broadly symmetrical, with components of both north-south shortening and east-west extension relative to stable Eurasia. The observed velocity field does not contain discontinuities or steep gradients attributable to along-strike differences in collision architecture, despite the well-documented presence of a lithospheric slab beneath the Pamir but not the Tibetan Plateau. We use a modified Akaike information criterion (AICc) to show that surface velocities do not efficiently constrain 3D rheology, geometry, or force balance. Therefore, although other geophysical and geological observations may indicate the presence of mechanical or dynamic heterogeneities within the Indian-Asian collision, the surface Global Positioning System velocities contain little or no usable information about them.

Adherent nanoparticles-mediated micro- and nanobubble nucleation

NASA Astrophysics Data System (ADS)

Chan, Chon U.; Chen, Long Quan; Lippert, Alexander; Arora, Manish; Ohl, Claus-Dieter

2014-11-01

Surface nanobubbles are commonly nucleated through water-ethanol-water exchange. It is believed that the higher gas solubility in ethanol and exothermic mixing leads to a supersaturation of gas in water. However details of the nucleation dynamic are still unknown. Here we apply the exchange process onto a glass surface deposited with nanoparticles and monitor the dynamics optically at video frame rates. During exchange bubbles of a few micron in diameter nucleate at the sites of nanoparticles. These microbubbles eventually dissolve in ethanol but are stable in water. This agrees with the nucleation process observed for surface nanobubbles. Also we find a reduction of surface attached nanobubbles near the particles, which might be due to gas uptake from the microbubble growth. Finally, high speed recordings reveal stick-slip motion of the triple contact line during the growth process. We will discuss possibilities of utilizing the findings for contamination detection and ultrasonic cleaning.

Atomic and Molecular Beam Scattering: Characterizing Structure and Dynamics of Hybrid Organic-Semiconductor Interfaces and Introducing Novel Isotope Separation Techniques

NASA Astrophysics Data System (ADS)

Nihill, Kevin John

This thesis details a range of experiments and techniques that use the scattering of atomic beams from surfaces to both characterize a variety of interfaces and harness mass-specific scattering conditions to separate and enrich isotopic components in a mixture of gases. Helium atom scattering has been used to characterize the surface structure and vibrational dynamics of methyl-terminated Ge(111), thereby elucidating the effects of organic termination on a rigid semiconductor interface. Helium atom scattering was employed as a surface-sensitive, non-destructive probe of the surface. By means of elastic gas-surface diffraction, this technique is capable of providing measurements of atomic spacing, step height, average atomic displacement as a function of surface temperature, gas-surface potential well depth, and surface Debye temperature. Inelastic time-of-flight studies provide highly resolved energy exchange measurements between helium atoms and collective lattice vibrations, or phonons; a collection of these measurements across a range of incident kinematic parameters allowed for a thorough mapping of low-energy phonons (e.g., the Rayleigh wave) across the surface Brillouin zone and subsequent comparison with complementary theoretical calculations. The scattering of molecular beams - here, hydrogen and deuterium from methyl-terminated Si(111) - enables the measurement of the anisotropy of the gas-surface interaction potential through rotationally inelastic diffraction (RID), whereby incident atoms can exchange internal energy between translational and rotational modes and diffract into unique angular channels as a result. The probability of rotational excitations as a function of incident energy and angle were measured and compared with electronic structure and scattering calculations to provide insight into the gas-surface interaction potential and hence the surface charge density distribution, revealing important details regarding the interaction of H2 with an organic-functionalized semiconductor interface. Aside from their use as probes for surface structure and dynamics, atomic beam sources are also demonstrated to enable the efficient separation of gaseous mixtures of isotopes by means of diffraction and differential condensation. In the former method, the kinematic conditions for elastic diffraction result in an incident beam of natural abundance neon diffracting into isotopically distinct angles, resulting in the enrichment of a desired isotope; this purification can be improved by exploiting the difference in arrival times of the two isotopes at a given final angle. In the latter method, the identical incident velocities of coexpanded isotopes lead to minor but important differences in their incident kinetic energies, and thus their probability of adsorbing on a sufficiently cold surface, resulting in preferential condensation of a given isotope that depends on the energy of the incident beam. Both of these isotope separation techniques are made possible by the narrow velocity distribution and velocity seeding effect offered only by high-Mach number supersonic beam sources. These experiments underscore the utility of supersonically expanded atomic and molecular beam sources as both extraordinarily precise probes of surface structure and dynamics and as a means for high-throughput, non-dissociative isotopic enrichment methods.

The Dynamics of Controlled Flow Separation within a Diverter Duct Diffuser

NASA Astrophysics Data System (ADS)

Peterson, C. J.; Vukasinovic, B.; Glezer, A.

2016-11-01

The evolution and receptivity to fluidic actuation of the flow separation within a rectangular, constant-width, diffuser that is branched off of a primary channel is investigated experimentally at speeds up to M = 0.4. The coupling between the diffuser's adverse pressure gradient and the internal separation that constricts nearly half of the flow passage through the duct is controlled using a spanwise array of fluidic actuators on the surface upstream of the diffuser's inlet plane. The dynamics of the separating surface vorticity layer in the absence and presence of actuation are investigated using high-speed particle image velocimetry combined with surface pressure measurements and total pressure distributions at the primary channel's exit plane. It is shown that the actuation significantly alters the incipient dynamics of the separating vorticity layer as the characteristic cross stream scales of the boundary layer upstream of separation and of the ensuing vorticity concentrations within the separated flow increase progressively with actuation level. It is argued that the dissipative (high frequency) actuation alters the balance between large- and small-scale motions near separation by intensifying the large-scale motions and limiting the small-scale dynamics. Controlling separation within the diffuser duct also has a profound effect on the global flow. In the presence of actuation, the mass flow rate in the primary duct increases 10% while the fraction of the diverted mass flow rate in the diffuser increases by more than 45% at 0.7% actuation mass fraction. Supported by the Boeing Company.

Inelastic off-fault response and three-dimensional dynamics of earthquake rupture on a strike-slip fault

USGS Publications Warehouse

Andrews, D.J.; Ma, Shuo

2010-01-01

Large dynamic stress off the fault incurs an inelastic response and energy loss, which contributes to the fracture energy, limiting the rupture and slip velocity. Using an explicit finite element method, we model three-dimensional dynamic ruptures on a vertical strike-slip fault in a homogeneous half-space. The material is subjected to a pressure-dependent Drucker-Prager yield criterion. Initial stresses in the medium increase linearly with depth. Our simulations show that the inelastic response is confined narrowly to the fault at depth. There the inelastic strain is induced by large dynamic stresses associated with the rupture front that overcome the effect of the high confining pressure. The inelastic zone increases in size as it nears the surface. For material with low cohesion (~5 MPa) the inelastic zone broadens dramatically near the surface, forming a "flowerlike" structure. The near-surface inelastic strain occurs in both the extensional and the compressional regimes of the fault, induced by seismic waves ahead of the rupture front under a low confining pressure. When cohesion is large (~10 MPa), the inelastic strain is significantly reduced near the surface and confined mostly to depth. Cohesion, however, affects the inelastic zone at depth less significantly. The induced shear microcracks show diverse orientations near the surface, owing to the low confining pressure, but exhibit mostly horizontal slip at depth. The inferred rupture-induced anisotropy at depth has the fast wave direction along the direction of the maximum compressive stress.

S3D: An interactive surface grid generation tool

NASA Technical Reports Server (NTRS)

Luh, Raymond Ching-Chung; Pierce, Lawrence E.; Yip, David

1992-01-01

S3D, an interactive software tool for surface grid generation, is described. S3D provides the means with which a geometry definition based either on a discretized curve set or a rectangular set can be quickly processed towards the generation of a surface grid for computational fluid dynamics (CFD) applications. This is made possible as a result of implementing commonly encountered surface gridding tasks in an environment with a highly efficient and user friendly graphical interface. Some of the more advanced features of S3D include surface-surface intersections, optimized surface domain decomposition and recomposition, and automated propagation of edge distributions to surrounding grids.

Dynamics of Defects and Dopants in Complex Systems: Si and Oxide Surfaces and Interfaces

NASA Astrophysics Data System (ADS)

Kirichenko, Taras; Yu, Decai; Banarjee, Sanjay; Hwang, Gyeong

2004-10-01

Fabrication of forthcoming nanometer scale electronic devices faces many difficulties including formation of extremely shallow and highly doped junctions. At present, ultra-low-energy ion implantation followed by high-temperature thermal annealing is most widely used to fabricate such ultra-shallow junctions. In the process, a great challenge lies in achieving precise control of redistribution and electrical activation of dopant impurities. Native defects (such as vacancies and interstitials) generated during implantation are known to be mainly responsible for the TED and also influence significantly the electrical activation/deactivation. Defect-dopant dynamics is rather well understood in crystalline Si and SiO2. However, little is known about their diffusion and annihilation (or precipitation) at the surfaces and interfaces, despite its growing importance in determining junction profiles as device dimensions get smaller. In this talk, we will present our density functional theory calculation results on the atomic and electronic structure and dynamical behavior of native defects and dopant-defect complexes in disordered/strained Si and oxide systems, such as i) clean and absorbent-modified Si(100) surface and subsurface layers, ii) amorphous-crystalline Si interfaces and iii) amorphous SiO2/Si interfaces. The fundamental understanding and data is essential in developing a comprehensive kinetic model for junction formation, which would contribute greatly in improving current process technologies.

Dynamic wind-tunnel tests of an aeromechanical gust-alleviation system using several different combinations of control surfaces

NASA Technical Reports Server (NTRS)

Stewart, E. C.; Doggett, R. V., Jr.

1978-01-01

Some experimental results are presented from wind tunnel studies of a dynamic model equipped with an aeromechanical gust alleviation system for reducing the normal acceleration response of light airplanes. The gust alleviation system consists of two auxiliary aerodynamic surfaces that deflect the wing flaps through mechanical linkages when a gust is encountered to maintain nearly constant airplane lift. The gust alleviation system was implemented on a 1/6-scale, rod mounted, free flying model that is geometrically and dynamically representative of small, four place, high wing, single engine, light airplanes. The effects of flaps with different spans, two size of auxiliary aerodynamic surfaces, plain and double hinged flaps, and a flap elevator interconnection were studied. The model test results are presented in terms of predicted root mean square response of the full scale airplane to atmospheric turbulence. The results show that the gust alleviation system reduces the root mean square normal acceleration response by 30 percent in comparison with the response in the flaps locked condition. Small reductions in pitch-rate response were also obtained. It is believed that substantially larger reductions in normal acceleration can be achieved by reducing the rather high levels of mechanical friction which were extant in the alleviation system of the present model.

Airflow analyses using thermal imaging in Arizona's Meteor Crater as part of METCRAX II

NASA Astrophysics Data System (ADS)

Grudzielanek, A. Martina; Vogt, Roland; Cermak, Jan; Maric, Mateja; Feigenwinter, Iris; Whiteman, C. David; Lehner, Manuela; Hoch, Sebastian W.; Krauß, Matthias G.; Bernhofer, Christian; Pitacco, Andrea

2016-04-01

In October 2013 the second Meteor Crater Experiment (METCRAX II) took place at the Barringer Meteorite Crater (aka Meteor Crater) in north central Arizona, USA. Downslope-windstorm-type flows (DWF), the main research objective of METCRAX II, were measured by a comprehensive set of meteorological sensors deployed in and around the crater. During two weeks of METCRAX II five infrared (IR) time lapse cameras (VarioCAM® hr research & VarioCAM® High Definition, InfraTec) were installed at various locations on the crater rim to record high-resolution images of the surface temperatures within the crater from different viewpoints. Changes of surface temperature are indicative of air temperature changes induced by flow dynamics inside the crater, including the DWF. By correlating thermal IR surface temperature data with meteorological sensor data during intensive observational periods the applicability of the IR method of representing flow dynamics can be assessed. We present evaluation results and draw conclusions relative to the application of this method for observing air flow dynamics in the crater. In addition we show the potential of the IR method for METCRAX II in 1) visualizing airflow processes to improve understanding of these flows, and 2) analyzing cold-air flows and cold-air pooling.

Characterizing substrate–surface interactions on alumina-supported metal catalysts by dynamic nuclear polarization-enhanced double-resonance NMR spectroscopy [Characterizing substrate-surface interactions on alumina supported metal catalysts by DNP-enhanced double-resonance NMR spectroscopy

DOE PAGES

Perras, Frederic A.; Padmos, J. Daniel; Johnson, Robert L.; ...

2017-01-23

The characterization of nanometer-scale interactions between carbon-containing substrates and alumina surfaces is of paramount importance to industrial and academic catalysis applications, but it is also very challenging. Here, we demonstrate that dynamic nuclear polarization surface-enhanced NMR spectroscopy (DNP SENS) allows the unambiguous description of the coordination geometries and conformations of the substrates at the alumina surface through high-resolution measurements of 13C– 27Al distances. We apply this new technique to elucidate the molecular-level geometry of 13C-enriched methionine and natural abundance poly(vinyl alcohol) adsorbed on γ-Al 2O 3-supported Pd catalysts, and we support these results with element-specific X-ray absorption near-edge measurements. Furthermore,more » this work clearly demonstrates a surprising bimodal coordination of methionine at the Pd–Al 2O 3 interface.« less

Characterizing substrate–surface interactions on alumina-supported metal catalysts by dynamic nuclear polarization-enhanced double-resonance NMR spectroscopy [Characterizing substrate-surface interactions on alumina supported metal catalysts by DNP-enhanced double-resonance NMR spectroscopy

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

Perras, Frederic A.; Padmos, J. Daniel; Johnson, Robert L.

The characterization of nanometer-scale interactions between carbon-containing substrates and alumina surfaces is of paramount importance to industrial and academic catalysis applications, but it is also very challenging. Here, we demonstrate that dynamic nuclear polarization surface-enhanced NMR spectroscopy (DNP SENS) allows the unambiguous description of the coordination geometries and conformations of the substrates at the alumina surface through high-resolution measurements of 13C– 27Al distances. We apply this new technique to elucidate the molecular-level geometry of 13C-enriched methionine and natural abundance poly(vinyl alcohol) adsorbed on γ-Al 2O 3-supported Pd catalysts, and we support these results with element-specific X-ray absorption near-edge measurements. Furthermore,more » this work clearly demonstrates a surprising bimodal coordination of methionine at the Pd–Al 2O 3 interface.« less

1,3,5-trinitro-1,3,5-triazine decomposition and chemisorption on Al(111) surface: first-principles molecular dynamics study.

PubMed

Umezawa, Naoto; Kalia, Rajiv K; Nakano, Aiichiro; Vashista, Priya; Shimojo, Fuyuki

2007-06-21

We have investigated the decomposition and chemisorption of a 1,3,5-trinitro-1,3,5-triazine (RDX) molecule on Al(111) surface using molecular dynamics simulations, in which interatomic forces are computed quantum mechanically in the framework of the density functional theory (DFT). The real-space DFT calculations are based on higher-order finite difference and norm-conserving pseudopotential methods. Strong attractive forces between oxygen and aluminum atoms break N-O and N-N bonds in the RDX and, subsequently, the dissociated oxygen atoms and NO molecules oxidize the Al surface. In addition to these Al surface-assisted decompositions, ring cleavage of the RDX molecule is also observed. These reactions occur spontaneously without potential barriers and result in the attachment of the rest of the RDX molecule to the surface. This opens up the possibility of coating Al nanoparticles with RDX molecules to avoid the detrimental effect of oxidation in high energy density material applications.

Self-consistent modelling of electrochemical strain microscopy in mixed ionic-electronic conductors: Nonlinear and dynamic regimes

DOE PAGES

Varenyk, O. V.; Silibin, M. V.; Kiselev, Dmitri A.; ...

2015-08-19

The frequency dependent Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analyzed within the framework of Fermi-Dirac statistics and the Vegard law, accounting for steric effects from mobile donors. The emergence of dynamic charge waves and nonlinear deformation of the surface in response to bias applied to the tip-surface junction is numerically explored. The 2D maps of the strain and concentration distributions across the mixed ionic-electronic conductor and bias-induced surface displacements are calculated. Furthermore, the obtained numerical results can be applied to quantify the ESM response of Li-based solid electrolytes, materials with resistive switching, and electroactive ferroelectric polymers,more » which are of potential interest for flexible and high-density non-volatile memory devices.« less

Self-consistent modelling of electrochemical strain microscopy in mixed ionic-electronic conductors: Nonlinear and dynamic regimes

NASA Astrophysics Data System (ADS)

Varenyk, O. V.; Silibin, M. V.; Kiselev, D. A.; Eliseev, E. A.; Kalinin, S. V.; Morozovska, A. N.

2015-08-01

The frequency dependent Electrochemical Strain Microscopy (ESM) response of mixed ionic-electronic conductors is analyzed within the framework of Fermi-Dirac statistics and the Vegard law, accounting for steric effects from mobile donors. The emergence of dynamic charge waves and nonlinear deformation of the surface in response to bias applied to the tip-surface junction is numerically explored. The 2D maps of the strain and concentration distributions across the mixed ionic-electronic conductor and bias-induced surface displacements are calculated. The obtained numerical results can be applied to quantify the ESM response of Li-based solid electrolytes, materials with resistive switching, and electroactive ferroelectric polymers, which are of potential interest for flexible and high-density non-volatile memory devices.

Dynamic surface self-reconstruction is the key of highly active perovskite nano-electrocatalysts for water splitting

NASA Astrophysics Data System (ADS)

Fabbri, Emiliana; Nachtegaal, Maarten; Binninger, Tobias; Cheng, Xi; Kim, Bae-Jung; Durst, Julien; Bozza, Francesco; Graule, Thomas; Schäublin, Robin; Wiles, Luke; Pertoso, Morgan; Danilovic, Nemanja; Ayers, Katherine E.; Schmidt, Thomas J.

2017-09-01

The growing need to store increasing amounts of renewable energy has recently triggered substantial R&D efforts towards efficient and stable water electrolysis technologies. The oxygen evolution reaction (OER) occurring at the electrolyser anode is central to the development of a clean, reliable and emission-free hydrogen economy. The development of robust and highly active anode materials for OER is therefore a great challenge and has been the main focus of research. Among potential candidates, perovskites have emerged as promising OER electrocatalysts. In this study, by combining a scalable cutting-edge synthesis method with time-resolved X-ray absorption spectroscopy measurements, we were able to capture the dynamic local electronic and geometric structure during realistic operando conditions for highly active OER perovskite nanocatalysts. Ba0.5Sr0.5Co0.8Fe0.2O3-δ as nano-powder displays unique features that allow a dynamic self-reconstruction of the material’s surface during OER, that is, the growth of a self-assembled metal oxy(hydroxide) active layer. Therefore, besides showing outstanding performance at both the laboratory and industrial scale, we provide a fundamental understanding of the operando OER mechanism for highly active perovskite catalysts. This understanding significantly differs from design principles based on ex situ characterization techniques.

Spatial and temporal dynamic of surface water and vegetation dynamic using remotely sensed data in the Murray -Darling Basin, Australia

NASA Astrophysics Data System (ADS)

Tulbure, M. G.; Kingsford, R.; Broich, M.

2012-12-01

Australia is the driest inhabited continent and river systems have highly variable flows in space and time. The Murray-Darling Basin (MDB), a catchment covering 14% of the continent contains the nation's largest rivers and important groundwater systems. The basin has highly variable rainfall patterns in space and time and the vast majority of rainfall is lost to evapotranspiration with only 4% becoming runoff. The basin is home to several wetlands of high hydrological and ecological value with a number of them being recognised as wetlands of international importance. The basin produces more than a third of Australia's food supply, making it the most important agricultural area in the country. However, variation in surface and ground water availability exacerbated by a long period of drought, combined with high water demands for irrigation and in several major cities, and the need for water to maintain ecosystem health in the floodplains have led to the need of managing water resources in an integrated fashion. Several dams have been constructed in the basin, which store water during wet periods which is released during dry periods as environmental flows. Assessment of water resources and understanding of the effectiveness of environmental flows requires knowledge of 1) long term trends in occurrence and extent of surface water, 2) what is the vegetation response to flooding and 3) whether water reached target vegetation communities. However, such information does not exist at the basin level. Satellite remote sensing is the only viable way for synoptically mapping and monitoring the extent and dynamic of flooding and vegetation response to flooding. Moreover, recent La Nina -induced, extreme flooding broke a decade long of drought and made 2010 the wettest calendar year on record in the MDB and across vast areas of Australia. This represents a unique opportunity to develop predictive models relating flow regime to vegetation response and identify trends over long term and across a large space in a drying yet variable climate. Using an internally consistent method, Landsat TM and ETM+ data were used to synoptically map the extent and dynamic of surface water bodies and track the response of vegetation communities to flooding in space and time at selected sites. Per pixel trajectory of surface water and vegetation index time series were used. Results show high interannual variability in number and size of flooded areas and a positive relationship with rainfall. Response of vegetation communities to flooding varied in space and time and with vegetation types and densities. Knowledge of the spatial and temporal dynamic of flooding and the response of vegetation communities to flooding is important for management of floodplain wetlands and vegetation communities and for investigating effectiveness of environmental flows and flow regimes in the MDB. The approach presented here can be transferred to other river systems around the world where high demand for water requires informed management decisions.

Plasma and Electro-energetic Physics

DTIC Science & Technology

2012-03-07

Dynamical Equations (with complex surfaces ): Relativistic Lorentz Force Law for relativistic momentum p and velocity u: tDcJcH tBcE   /)/1()/4...0.1-1 s • 3D, high-fidelity, parallel modeling of high energy density fields and particles in complex geometry with some surface effects...cathodes (500 µm separation) Tang, AFRL/RD 12 DISTRIBUTION A: Approved for public release; distribution is unlimited. ICEPIC simulations Equipotential

The dynamics of hurricane balls

NASA Astrophysics Data System (ADS)

Andersen, W. L.; Werner, Steven

2015-09-01

We examine the theory of the hurricane balls toy. This toy consists of two steel balls, welded together that are sent spinning on a horizontal surface somewhat like a top. Unlike a top, at high frequency the symmetry axis approaches a limiting inclination that is not perpendicular to the surface. We calculate (and experimentally verify) the limiting inclinations for three toy geometries. We find that at high frequencies, hurricane balls provide an easily realized and testable example of the Poinsot theory of freely rotating symmetrical bodies.

Seasonal Prediction of Regional Surface Air Temperature and First-flowering Date in South Korea using Dynamical Downscaling

NASA Astrophysics Data System (ADS)

Ahn, J. B.; Hur, J.

2015-12-01

The seasonal prediction of both the surface air temperature and the first-flowering date (FFD) over South Korea are produced using dynamical downscaling (Hur and Ahn, 2015). Dynamical downscaling is performed using Weather Research and Forecast (WRF) v3.0 with the lateral forcing from hourly outputs of Pusan National University (PNU) coupled general circulation model (CGCM) v1.1. Gridded surface air temperature data with high spatial (3km) and temporal (daily) resolution are obtained using the physically-based dynamical models. To reduce systematic bias, simple statistical correction method is then applied to the model output. The FFDs of cherry, peach and pear in South Korea are predicted for the decade of 1999-2008 by applying the corrected daily temperature predictions to the phenological thermal-time model. The WRF v3.0 results reflect the detailed topographical effect, despite having cold and warm biases for warm and cold seasons, respectively. After applying the correction, the mean temperature for early spring (February to April) well represents the general pattern of observation, while preserving the advantages of dynamical downscaling. The FFD predictabilities for the three species of trees are evaluated in terms of qualitative, quantitative and categorical estimations. Although FFDs derived from the corrected WRF results well predict the spatial distribution and the variation of observation, the prediction performance has no statistical significance or appropriate predictability. The approach used in the study may be helpful in obtaining detailed and useful information about FFD and regional temperature by accounting for physically-based atmospheric dynamics, although the seasonal predictability of flowering phenology is not high enough. Acknowledgements This work was carried out with the support of the Rural Development Administration Cooperative Research Program for Agriculture Science and Technology Development under Grant Project No. PJ009953 and Project No. PJ009353, Republic of Korea. Reference Hur, J., J.-B. Ahn, 2015. Seasonal Prediction of Regional Surface Air Temperature and First-flowering Date over South Korea, Int. J. Climatol., DOI: 10.1002/joc.4323.

Inertial collapse of bubble pairs near a solid surface

NASA Astrophysics Data System (ADS)

Alahyari Beig, Shahaboddin; Johnsen, Eric

2017-11-01

Cavitation occurs in a variety of applications ranging from naval structures to biomedical ultrasound. One important consequence is structural damage to neighboring surfaces following repeated inertial collapse of vapor bubbles. Although the mechanical loading produced by the collapse of a single bubble has been widely investigated, less is known about the detailed dynamics of the collapse of multiple bubbles. In such a problem, the bubble-bubble interactions typically affect the dynamics, e.g., by increasing the non-sphericity of the bubbles and amplifying/hindering the collapse intensity depending on the flow parameters. Here, we quantify the effects of bubble-bubble interactions on the bubble dynamics, as well as the pressures/temperatures produced by the collapse of a pair of gas bubbles near a rigid surface. We perform high-resolution simulations of this problem by solving the three-dimensional compressible Navier-Stokes equations for gas/liquid flows. The results are used to investigate the non-spherical bubble dynamics and characterize the pressure and temperature fields based on the relevant parameters entering the problem: stand-off distance, geometrical configuration (angle, relative size, distance), collapse strength. This research was supported in part by ONR Grant N00014-12-1-0751 and NSF Grant CBET 1253157.

Manufacturing of Fe-Mn-C surface alloys by Nd:YAG and CO2 laser processing

NASA Astrophysics Data System (ADS)

Pelletier, Jean-Marc.; Pilloz, Michel; Sallamand, P.; Malau, V.; Grevey, Dominique F.; Vannes, A. B.

1996-09-01

In order to obtain a good behavior in dynamic conditions, it is often necessary to manufacture surface alloys with conflicting properties, for example a high ductility combined with a high hardness or a high yield stress. Iron- base alloys with appropriated contents of manganese and carbon can be candidates for such requirements. Particular alloys, known as Hadfield steels, are of major interest. By using either Nd-YAG or CO2 lasers, and by either injection of specific powder or remelting of a predeposited layer with a suitable composition, sound surface layers have been manufactured on steels with either a low or a high carbon content. These coatings with an austenitic structure have an elevated yield stress. After a presentation of the experimental procedures, the new surface alloys are characterized by using metallurgical observations, chemical analysis and mechanical tests.

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.

The calculation of weakly non-spherical cavitation bubble impact on a solid

NASA Astrophysics Data System (ADS)

Aganin, A. A.; Guseva, T. S.; Kosolapova, L. A.; Khismatullina, N. A.

2016-11-01

The effect of small spheroidal non-sphericity of a cavitation bubble touching a solid at the beginning of its collapse on its impact on the solid of a copper-nickel alloy is investigated. The impact on the solid is realized by means of a high-speed liquid jet arising at collapse on the bubble surface. The shape of the jet, its velocity and pressure are calculated by the boundary element method. The spatial and temporal characteristics of the pressure pulses on the solid surface are determined by the CIP-CUP method on dynamically adaptive grids without explicitly separating the gas-liquid interface. The solid surface layer dynamics is evaluated by the Godunov method. The results are analyzed in dimensionless variables obtained with using the water hammer pressure, the time moment and the jet-solid contact area radius at which the jet begins to spread on the solid surface. It is shown that in those dimensionless variables, the dependence of the spatial and temporal characteristics of the solid surface pressure pulses on the initial bubble shape non-sphericity is relatively small. The nonsphericity also slightly influences the main qualitative features of the dynamic processes inside the solid, whereas its effect on their quantitative characteristics can be significant.

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

PubMed

Chen, Longquan; Bonaccurso, Elmar

2014-08-01

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

Spectral decomposition of internal gravity wave sea surface height in global models

NASA Astrophysics Data System (ADS)

Savage, Anna C.; Arbic, Brian K.; Alford, Matthew H.; Ansong, Joseph K.; Farrar, J. Thomas; Menemenlis, Dimitris; O'Rourke, Amanda K.; Richman, James G.; Shriver, Jay F.; Voet, Gunnar; Wallcraft, Alan J.; Zamudio, Luis

2017-10-01

Two global ocean models ranging in horizontal resolution from 1/12° to 1/48° are used to study the space and time scales of sea surface height (SSH) signals associated with internal gravity waves (IGWs). Frequency-horizontal wavenumber SSH spectral densities are computed over seven regions of the world ocean from two simulations of the HYbrid Coordinate Ocean Model (HYCOM) and three simulations of the Massachusetts Institute of Technology general circulation model (MITgcm). High wavenumber, high-frequency SSH variance follows the predicted IGW linear dispersion curves. The realism of high-frequency motions (>0.87 cpd) in the models is tested through comparison of the frequency spectral density of dynamic height variance computed from the highest-resolution runs of each model (1/25° HYCOM and 1/48° MITgcm) with dynamic height variance frequency spectral density computed from nine in situ profiling instruments. These high-frequency motions are of particular interest because of their contributions to the small-scale SSH variability that will be observed on a global scale in the upcoming Surface Water and Ocean Topography (SWOT) satellite altimetry mission. The variance at supertidal frequencies can be comparable to the tidal and low-frequency variance for high wavenumbers (length scales smaller than ˜50 km), especially in the higher-resolution simulations. In the highest-resolution simulations, the high-frequency variance can be greater than the low-frequency variance at these scales.

Surface tension dominates insect flight on fluid interfaces.

PubMed

Mukundarajan, Haripriya; Bardon, Thibaut C; Kim, Dong Hyun; Prakash, Manu

2016-03-01

Flight on the 2D air-water interface, with body weight supported by surface tension, is a unique locomotion strategy well adapted for the environmental niche on the surface of water. Although previously described in aquatic insects like stoneflies, the biomechanics of interfacial flight has never been analysed. Here, we report interfacial flight as an adapted behaviour in waterlily beetles (Galerucella nymphaeae) which are also dexterous airborne fliers. We present the first quantitative biomechanical model of interfacial flight in insects, uncovering an intricate interplay of capillary, aerodynamic and neuromuscular forces. We show that waterlily beetles use their tarsal claws to attach themselves to the interface, via a fluid contact line pinned at the claw. We investigate the kinematics of interfacial flight trajectories using high-speed imaging and construct a mathematical model describing the flight dynamics. Our results show that non-linear surface tension forces make interfacial flight energetically expensive compared with airborne flight at the relatively high speeds characteristic of waterlily beetles, and cause chaotic dynamics to arise naturally in these regimes. We identify the crucial roles of capillary-gravity wave drag and oscillatory surface tension forces which dominate interfacial flight, showing that the air-water interface presents a radically modified force landscape for flapping wing flight compared with air. © 2016. Published by The Company of Biologists Ltd.

Surface tension dominates insect flight on fluid interfaces

PubMed Central

Mukundarajan, Haripriya; Bardon, Thibaut C.; Kim, Dong Hyun; Prakash, Manu

2016-01-01

ABSTRACT Flight on the 2D air–water interface, with body weight supported by surface tension, is a unique locomotion strategy well adapted for the environmental niche on the surface of water. Although previously described in aquatic insects like stoneflies, the biomechanics of interfacial flight has never been analysed. Here, we report interfacial flight as an adapted behaviour in waterlily beetles (Galerucella nymphaeae) which are also dexterous airborne fliers. We present the first quantitative biomechanical model of interfacial flight in insects, uncovering an intricate interplay of capillary, aerodynamic and neuromuscular forces. We show that waterlily beetles use their tarsal claws to attach themselves to the interface, via a fluid contact line pinned at the claw. We investigate the kinematics of interfacial flight trajectories using high-speed imaging and construct a mathematical model describing the flight dynamics. Our results show that non-linear surface tension forces make interfacial flight energetically expensive compared with airborne flight at the relatively high speeds characteristic of waterlily beetles, and cause chaotic dynamics to arise naturally in these regimes. We identify the crucial roles of capillary–gravity wave drag and oscillatory surface tension forces which dominate interfacial flight, showing that the air–water interface presents a radically modified force landscape for flapping wing flight compared with air. PMID:26936640

The molecular dynamics of adsorption and dissociation of O{sub 2} on Pt(553)

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

Jacobse, Leon, E-mail: l.jacobse@chem.leidenuniv.nl; Dunnen, Angela den; Juurlink, Ludo B. F.

2015-07-07

Molecular adsorption and dissociation of O{sub 2} on the stepped Pt(553) surface have been investigated using supersonic molecular beam techniques and temperature programmed desorption. The initial and coverage-dependent sticking probability was determined with the King and Wells technique for various combinations of incident kinetic energy, surface temperature, incident angle, and surface coverage. A comparison with similar data for Pt(533) and Pt(110)(1 × 2) shows quantitatively the same high step-induced sticking at low incident energies compared to Pt(111). The enhancement is therefore insensitive to the exact arrangement of atoms forming surface corrugation. We consider energy transfer and electronic effects to explainmore » the enhanced sticking. On the other hand, dissociation dynamics at higher incident kinetic energies are strongly dependent on step type. The Pt(553) and Pt(533) surfaces are more reactive than Pt(111), but the (100) step shows higher sticking than the (110) step. We relate this difference to a variation in the effective lowering of the barrier to dissociation from molecularly adsorbed states into atomic states. Our findings are in line with results from experimental desorption studies and theoretical studies of atomic binding energies. We discuss the influence of the different step types on sticking and dissociation dynamics with a one-dimensional potential energy surface.« less

The interfacial energetics of the oil molecules interactions with shale media using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Z.; Wang, J.

2017-12-01

Characterizing the behavior of oil molecules in nanopore is vital to the understanding of geochemistry of hydrocarbon-bearing fluid in ultra-tight source rocks, such as shale. The heterogeneous nature of hydrocarbon system of nanoscale complicates experimental studies of oil / shale interfacial interaction. Therefore, to gain mechanistic understanding of the interplay of oil molecules in rock nanopore, molecular dynamics simulations have been applied to study the interactions of polar and non-polar oil on both calcite and kerogen surfaces. The effect of surface wetting, oil polarity, and temperature on the Gibbs free energy of adsorption have been investigated. The free energy, entropy, and enthalpy profiles have been calculated using advanced molecular dynamics method: umbrella sampling. In agreement with experiment, 1) surface with adsorbed water layer significantly reduces the oil adsorption energy on kerogen and turns the calcite surface to highly oil-repellent; 2) polar oil has overall stronger adsorption free energy than that of non-polar oil on both non-wetted calcite and kerogen surface; 3) organic interface (e.g. kerogen) exhibits stronger adsorption of oil molecules compared to inorganic one (e.g. calcite). The finding of this study indicates that oil displacement in nanopores can be enhanced by promoting the water adsorption on surface and reducing the polarity of oil on both inorganic and organic interfaces.

Pump-probe Kelvin-probe force microscopy: Principle of operation and resolution limits

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

Murawski, J.; Graupner, T.; Milde, P., E-mail: peter.milde@tu-dresden.de

Knowledge on surface potential dynamics is crucial for understanding the performance of modern-type nanoscale devices. We describe an electrical pump-probe approach in Kelvin-probe force microscopy that enables a quantitative measurement of dynamic surface potentials at nanosecond-time and nanometer-length scales. Also, we investigate the performance of pump-probe Kelvin-probe force microscopy with respect to the relevant experimental parameters. We exemplify a measurement on an organic field effect transistor that verifies the undisturbed functionality of our pump-probe approach in terms of simultaneous and quantitative mapping of topographic and electronic information at a high lateral and temporal resolution.

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

NASA Technical Reports Server (NTRS)

Chahine, Moustafa T.

1995-01-01

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

Analyzing the Possibility of Dynamic Earthquake Triggering in Socorro, New Mexico

NASA Astrophysics Data System (ADS)

Morton, E.; Bilek, S. L.

2011-12-01

The release of energy during an earthquake changes the stress state and seismicity both locally and remotely. Far-field stress changes can lead to triggered earthquakes coinciding with the arrival of the surface waves. This dynamic triggering is found to occur in a variety of tectonic settings, but in particular magmatic regions. Here we test whether the Socorro Magma Body region in central New Mexico hosts triggered seismicity. Preliminary inspection of continuous network data in central New Mexico suggested a local triggered event with the passage of surface waves from an MW 6.9 event in 2009. For a more comprehensive view, we examine data from 379 earthquakes MW ≥ 6.0 between January 15, 2008 to March 13, 2010 recorded on the EarthScope USArray Transportable Network stations located within New Mexico and providing more dense coverage for better detectability. Waveforms from twenty EarthScope stations were windowed around the time of the large event, high-pass filtered at 5 Hz to remove low frequency signals and analyzed to detect high frequency triggered local earthquakes. For each possible trigger detected, waveforms from nine short-period stations in the Socorro Seismic Network were added to aid in locating the events. In the time period analyzed, twelve triggered events were detected. Only one of these events, on August 30, 2009, corresponded to the arrival of surface waves, occurring about a minute after their arrival. The majority of the triggered events occur well after the arrival of the surface waves, indicating that they are either independent of the main shock or the result of delayed dynamic triggering. Delayed dynamic triggering can occur hours or days after the passage of surface waves, and are marked by an increase in seismicity relative to background. Only one of the events, on September 18, 2009, occurred within the Socorro Magma Body area. The rest of these events occur spread throughout New Mexico. The widely spread distribution of possibly triggered events and the low ratio of triggers to main shocks indicates that the rifted magmatic region above the Socorro Magma Body is not particularly susceptible to dynamic triggering from remote main shocks. The lack of direct correspondence to a seismic phase can mean that the detected events may be independent (not triggered events), or the result of delayed dynamic triggering. A comparison to randomly chosen waveforms within the time period as background will reveal if the possible events are a result of delayed dynamic triggering or part of the background.

Final Technical Report for SISGR: Ultrafast Molecular Scale Chemical Imaging

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

Hersam, Mark C.; Guest, Jeffrey R.; Guisinger, Nathan P.

2017-04-10

The Northwestern-Argonne SISGR program utilized newly developed instrumentation and techniques including integrated ultra-high vacuum tip-enhanced Raman spectroscopy/scanning tunneling microscopy (UHV-TERS/STM) and surface-enhanced femtosecond stimulated Raman scattering (SE-FSRS) to advance the spatial and temporal resolution of chemical imaging for the study of photoinduced dynamics of molecules on plasmonically active surfaces. An accompanying theory program addressed modeling of charge transfer processes using constrained density functional theory (DFT) in addition to modeling of SE-FSRS, thereby providing a detailed description of the excited state dynamics. This interdisciplinary and highly collaborative research resulted in 62 publications with ~ 48% of them being co-authored by multiplemore » SISGR team members. A summary of the scientific accomplishments from this SISGR program is provided in this final technical report.« less

Airborne Sea-Surface Topography in an Absolute Reference Frame

NASA Astrophysics Data System (ADS)

Brozena, J. M.; Childers, V. A.; Jacobs, G.; Blaha, J.

2003-12-01

Highly dynamic coastal ocean processes occur at temporal and spatial scales that cannot be captured by the present generation of satellite altimeters. Space-borne gravity missions such as GRACE also provide time-varying gravity and a geoidal msl reference surface at resolution that is too coarse for many coastal applications. The Naval Research Laboratory and the Naval Oceanographic Office have been testing the application of airborne measurement techniques, gravity and altimetry, to determine sea-surface height and height anomaly at the short scales required for littoral regions. We have developed a precise local gravimetric geoid over a test region in the northern Gulf of Mexico from historical gravity data and recent airborne gravity surveys. The local geoid provides a msl reference surface with a resolution of about 10-15 km and provides a means to connect airborne, satellite and tide-gage observations in an absolute (WGS-84) framework. A series of altimetry reflights over the region with time scales of 1 day to 1 year reveal a highly dynamic environment with coherent and rapidly varying sea-surface height anomalies. AXBT data collected at the same time show apparent correlation with wave-like temperature anomalies propagating up the continental slope of the Desoto Canyon. We present animations of the temporal evolution of the surface topography and water column temperature structure down to the 800 m depth of the AXBT sensors.

Protein electron transfer: Dynamics and statistics

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2013-07-01

Electron transfer between redox proteins participating in energy chains of biology is required to proceed with high energetic efficiency, minimizing losses of redox energy to heat. Within the standard models of electron transfer, this requirement, combined with the need for unidirectional (preferably activationless) transitions, is translated into the need to minimize the reorganization energy of electron transfer. This design program is, however, unrealistic for proteins whose active sites are typically positioned close to the polar and flexible protein-water interface to allow inter-protein electron tunneling. The high flexibility of the interfacial region makes both the hydration water and the surface protein layer act as highly polar solvents. The reorganization energy, as measured by fluctuations, is not minimized, but rather maximized in this region. Natural systems in fact utilize the broad breadth of interfacial electrostatic fluctuations, but in the ways not anticipated by the standard models based on equilibrium thermodynamics. The combination of the broad spectrum of static fluctuations with their dispersive dynamics offers the mechanism of dynamical freezing (ergodicity breaking) of subsets of nuclear modes on the time of reaction/residence of the electron at a redox cofactor. The separation of time-scales of nuclear modes coupled to electron transfer allows dynamical freezing. In particular, the separation between the relaxation time of electro-elastic fluctuations of the interface and the time of conformational transitions of the protein caused by changing redox state results in dynamical freezing of the latter for sufficiently fast electron transfer. The observable consequence of this dynamical freezing is significantly different reorganization energies describing the curvature at the bottom of electron-transfer free energy surfaces (large) and the distance between their minima (Stokes shift, small). The ratio of the two reorganization energies establishes the parameter by which the energetic efficiency of protein electron transfer is increased relative to the standard expectations, thus minimizing losses of energy to heat. Energetically efficient electron transfer occurs in a chain of conformationally quenched cofactors and is characterized by flattened free energy surfaces, reminiscent of the flat and rugged landscape at the stability basin of a folded protein.

Protein electron transfer: Dynamics and statistics.

PubMed

Matyushov, Dmitry V

2013-07-14

Electron transfer between redox proteins participating in energy chains of biology is required to proceed with high energetic efficiency, minimizing losses of redox energy to heat. Within the standard models of electron transfer, this requirement, combined with the need for unidirectional (preferably activationless) transitions, is translated into the need to minimize the reorganization energy of electron transfer. This design program is, however, unrealistic for proteins whose active sites are typically positioned close to the polar and flexible protein-water interface to allow inter-protein electron tunneling. The high flexibility of the interfacial region makes both the hydration water and the surface protein layer act as highly polar solvents. The reorganization energy, as measured by fluctuations, is not minimized, but rather maximized in this region. Natural systems in fact utilize the broad breadth of interfacial electrostatic fluctuations, but in the ways not anticipated by the standard models based on equilibrium thermodynamics. The combination of the broad spectrum of static fluctuations with their dispersive dynamics offers the mechanism of dynamical freezing (ergodicity breaking) of subsets of nuclear modes on the time of reaction/residence of the electron at a redox cofactor. The separation of time-scales of nuclear modes coupled to electron transfer allows dynamical freezing. In particular, the separation between the relaxation time of electro-elastic fluctuations of the interface and the time of conformational transitions of the protein caused by changing redox state results in dynamical freezing of the latter for sufficiently fast electron transfer. The observable consequence of this dynamical freezing is significantly different reorganization energies describing the curvature at the bottom of electron-transfer free energy surfaces (large) and the distance between their minima (Stokes shift, small). The ratio of the two reorganization energies establishes the parameter by which the energetic efficiency of protein electron transfer is increased relative to the standard expectations, thus minimizing losses of energy to heat. Energetically efficient electron transfer occurs in a chain of conformationally quenched cofactors and is characterized by flattened free energy surfaces, reminiscent of the flat and rugged landscape at the stability basin of a folded protein.

Individual-Based Model of Microbial Life on Hydrated Rough Soil Surfaces

PubMed Central

Kim, Minsu; Or, Dani

2016-01-01

Microbial life in soil is perceived as one of the most interesting ecological systems, with microbial communities exhibiting remarkable adaptability to vast dynamic environmental conditions. At the same time, it is a notoriously challenging system to understand due to its complexity including physical, chemical, and biological factors in synchrony. This study presents a spatially-resolved model of microbial dynamics on idealised rough soil surfaces represented as patches with different (roughness) properties that preserve the salient hydration physics of real surfaces. Cell level microbial interactions are considered within an individual-based formulation including dispersion and various forms of trophic dependencies (competition, mutualism). The model provides new insights into mechanisms affecting microbial community dynamics and gives rise to spontaneous formation of microbial community spatial patterns. The framework is capable of representing many interacting species and provides diversity metrics reflecting surface conditions and their evolution over time. A key feature of the model is its spatial scalability that permits representation of microbial processes from cell-level (micro-metric scales) to soil representative volumes at sub-metre scales. Several illustrative examples of microbial trophic interactions and population dynamics highlight the potential of the proposed modelling framework to quantitatively study soil microbial processes. The model is highly applicable in a wide range spanning from quantifying spatial organisation of multiple species under various hydration conditions to predicting microbial diversity residing in different soils. PMID:26807803

Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) + CO(X 1Σ+) → CO2(tilde X{}^1Σ _g^ +)

NASA Astrophysics Data System (ADS)

Jasper, Ahren W.; Dawes, Richard

2013-10-01

The lowest-energy singlet (1 1A') and two lowest-energy triplet (1 3A' and 1 3A″) electronic states of CO2 are characterized using dynamically weighted multireference configuration interaction (dw-MRCI+Q) electronic structure theory calculations extrapolated to the complete basis set (CBS) limit. Global analytic representations of the dw-MRCI+Q/CBS singlet and triplet surfaces and of their CASSCF/aug-cc-pVQZ spin-orbit coupling surfaces are obtained via the interpolated moving least squares (IMLS) semiautomated surface fitting method. The spin-forbidden kinetics of the title reaction is calculated using the coupled IMLS surfaces and coherent switches with decay of mixing non-Born-Oppenheimer molecular dynamics. The calculated spin-forbidden association rate coefficient (corresponding to the high pressure limit of the rate coefficient) is 7-35 times larger at 1000-5000 K than the rate coefficient used in many detailed chemical models of combustion. A dynamical analysis of the multistate trajectories is presented. The trajectory calculations reveal direct (nonstatistical) and indirect (statistical) spin-forbidden reaction mechanisms and may be used to test the suitability of transition-state-theory-like statistical methods for spin-forbidden kinetics. Specifically, we consider the appropriateness of the "double passage" approximation, of assuming statistical distributions of seam crossings, and of applications of the unified statistical model for spin-forbidden reactions.

CFD validation experiments at McDonnell Aircraft Company

NASA Technical Reports Server (NTRS)

Verhoff, August

1987-01-01

Information is given in viewgraph form on computational fluid dynamics (CFD) validation experiments at McDonnell Aircraft Company. Topics covered include a high speed research model, a supersonic persistence fighter model, a generic fighter wing model, surface grids, force and moment predictions, surface pressure predictions, forebody models with 65 degree clipped delta wings, and the low aspect ratio wing/body experiment.

Connectivity to the surface determines diversity patterns in subsurface aquifers of the Fennoscandian shield.

PubMed

Hubalek, Valerie; Wu, Xiaofen; Eiler, Alexander; Buck, Moritz; Heim, Christine; Dopson, Mark; Bertilsson, Stefan; Ionescu, Danny

2016-10-01

Little research has been conducted on microbial diversity deep under the Earth's surface. In this study, the microbial communities of three deep terrestrial subsurface aquifers were investigated. Temporal community data over 6 years revealed that the phylogenetic structure and community dynamics were highly dependent on the degree of isolation from the earth surface biomes. The microbial community at the shallow site was the most dynamic and was dominated by the sulfur-oxidizing genera Sulfurovum or Sulfurimonas at all-time points. The microbial community in the meteoric water filled intermediate aquifer (water turnover approximately every 5 years) was less variable and was dominated by candidate phylum OD1. Metagenomic analysis of this water demonstrated the occurrence of key genes for nitrogen and carbon fixation, sulfate reduction, sulfide oxidation and fermentation. The deepest water mass (5000 year old waters) had the lowest taxon richness and surprisingly contained Cyanobacteria. The high relative abundance of phylogenetic groups associated with nitrogen and sulfur cycling, as well as fermentation implied that these processes were important in these systems. We conclude that the microbial community patterns appear to be shaped by the availability of energy and nutrient sources via connectivity to the surface or from deep geological processes.

Effects of strain rate and surface cracks on the mechanical behaviour of Balmoral Red granite.

PubMed

Mardoukhi, Ahmad; Mardoukhi, Yousof; Hokka, Mikko; Kuokkala, Veli-Tapani

2017-01-28

This work presents a systematic study on the effects of strain rate and surface cracks on the mechanical properties and behaviour of Balmoral Red granite. The tensile behaviour of the rock was studied at low and high strain rates using Brazilian disc samples. Heat shocks were used to produce samples with different amounts of surface cracks. The surface crack patterns were analysed using optical microscopy, and the complexity of the patterns was quantified by calculating the fractal dimensions of the patterns. The strength of the rock clearly drops as a function of increasing fractal dimensions in the studied strain rate range. However, the dynamic strength of the rock drops significantly faster than the quasi-static strength, and, because of this, also the strain rate sensitivity of the rock decreases with increasing fractal dimensions. This can be explained by the fracture behaviour and fragmentation during the dynamic loading, which is more strongly affected by the heat shock than the fragmentation at low strain rates.This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'. © 2016 The Author(s).

Effects of strain rate and surface cracks on the mechanical behaviour of Balmoral Red granite

PubMed Central

Kuokkala, Veli-Tapani

2017-01-01

This work presents a systematic study on the effects of strain rate and surface cracks on the mechanical properties and behaviour of Balmoral Red granite. The tensile behaviour of the rock was studied at low and high strain rates using Brazilian disc samples. Heat shocks were used to produce samples with different amounts of surface cracks. The surface crack patterns were analysed using optical microscopy, and the complexity of the patterns was quantified by calculating the fractal dimensions of the patterns. The strength of the rock clearly drops as a function of increasing fractal dimensions in the studied strain rate range. However, the dynamic strength of the rock drops significantly faster than the quasi-static strength, and, because of this, also the strain rate sensitivity of the rock decreases with increasing fractal dimensions. This can be explained by the fracture behaviour and fragmentation during the dynamic loading, which is more strongly affected by the heat shock than the fragmentation at low strain rates. This article is part of the themed issue ‘Experimental testing and modelling of brittle materials at high strain rates’. PMID:27956513

Crystallization dynamics on curved surfaces

NASA Astrophysics Data System (ADS)

García, Nicolás A.; Register, Richard A.; Vega, Daniel A.; Gómez, Leopoldo R.

2013-07-01

We study the evolution from a liquid to a crystal phase in two-dimensional curved space. At early times, while crystal seeds grow preferentially in regions of low curvature, the lattice frustration produced in regions with high curvature is rapidly relaxed through isolated defects. Further relaxation involves a mechanism of crystal growth and defect annihilation where regions with high curvature act as sinks for the diffusion of domain walls. The pinning of grain boundaries at regions of low curvature leads to the formation of a metastable structure of defects, characterized by asymptotically slow dynamics of ordering and activation energies dictated by the largest curvatures of the system. These glassylike ordering dynamics may completely inhibit the appearance of the ground-state structures.

Brittleness Effect on Rock Fatigue Damage Evolution

NASA Astrophysics Data System (ADS)

Nejati, Hamid Reza; Ghazvinian, Abdolhadi

2014-09-01

The damage evolution mechanism of rocks is one of the most important aspects in studying of rock fatigue behavior. Fatigue damage evolution of three rock types (onyx marble, sandstone and soft limestone) with different brittleness were considered in the present study. Intensive experimental tests were conducted on the chosen rock samples and acoustic emission (AE) sensors were used in some of them to monitor the fracturing process. Experimental tests indicated that brittleness strongly influences damage evolution of rocks in the course of static and dynamic loading. AE monitoring revealed that micro-crack density induced by the applied loads during different stages of the failure processes increases as rock brittleness increases. Also, results of fatigue tests on the three rock types indicated that the rock with the most induced micro-cracks during loading cycles has the least fatigue life. Furthermore, the condition of failure surfaces of the studied rocks samples, subjected to dynamic and static loading, were evaluated and it was concluded that the roughness of failure surfaces is influenced by loading types and rock brittleness. Dynamic failure surfaces were rougher than static ones and low brittle rock demonstrate a smoother failure surface compared to high brittle rock.

Surface intervalley scattering on GaAs(110): Direct observation with picosecond laser photoemission

NASA Astrophysics Data System (ADS)

Haight, R.; Silberman, J. A.

1989-02-01

Angle-resolved laser photoemission investigations of the laser excited GaAs(110) surface have revealed a previously unobserved valley of the C3 unoccupied surface band whose minimum is at X¯ in the surface Brillouin zone. Electron population in this valley increases only as a result of scattering from the directly photoexcited valley at Γ¯. With high momentum resolution, we have isolated the dynamic electron population changes at both Γ¯ and X¯ and deduced the scattering time between the two valleys.

The effect of surface waviness on friction between Neolite and quarry tiles.

PubMed

Chang, Wen-Ruey; Grönqvist, Raoul; Hirvonen, Mikko; Matz, Simon

2004-06-22

Friction is widely used as an indicator of surface slipperiness in preventing accidents in slips and falls. Surface texture affects friction, but it is not clear which surface characteristics are better correlated with friction. Highly correlated surface characteristics could be used as potential interventions to prevent slip and fall accidents. The dynamic friction between quarry tiles and a commonly used sole testing material, Neolite, using three different mixtures of glycerol and water as contaminants at the interface was correlated with the surface parameters of the tile surfaces. The surface texture was quantified with various surface roughness and surface waviness parameters using three different cut-off lengths to filter the measured profiles for obtaining the profiles of either surface roughness or surface waviness. The correlation coefficients between the surface parameters and the measured friction were affected by the glycerol contents and cut-off lengths. Surface waviness parameters could potentially be better indicators of friction than commonly used surface roughness parameters, especially when they were measured with commonly used cut-off lengths or when the viscosity of the liquid contaminant was high.

Conflicting Expertise and Uncertainty: Quality Assurance in High-Level Radioactive Waste Management.

ERIC Educational Resources Information Center

Fitzgerald, Michael R.; McCabe, Amy Snyder

1991-01-01

Dynamics of a large, expensive, and controversial surface and underground evaluation of a radioactive waste management program at the Yucca Mountain power plant are reviewed. The use of private contractors in the quality assurance study complicates the evaluation. This case study illustrates high stakes evaluation problems. (SLD)

Protein–Mineral Interactions: Molecular Dynamics Simulations Capture Importance of Variations in Mineral Surface Composition and Structure

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

Andersen, Amity; Reardon, Patrick N.; Chacon, Stephany S.

Molecular dynamics simulations, conventional and metadynamics, were performed to determine the interaction of model protein Gb1 over kaolinite (001), Na+-montmorillonite (001), Ca2+-montmorillonite (001), goethite (100), and Na+-birnessite (001) mineral surfaces. Gb1, a small (56 residue) protein with a well-characterized solution-state nuclear magnetic resonance (NMR) structure and having α-helix, four-fold β-sheet, and hydrophobic core features, is used as a model protein to study protein soil mineral interactions and gain insights on structural changes and potential degradation of protein. From our simulations, we observe little change to the hydrated Gb1 structure over the kaolinite, montmorillonite, and goethite surfaces relative to its solvatedmore » structure without these mineral surfaces present. Over the Na+-birnessite basal surface, however, the Gb1 structure is highly disturbed as a result of interaction with this birnessite surface. Unraveling of the Gb1 β-sheet at specific turns and a partial unraveling of the α-helix is observed over birnessite, which suggests specific vulnerable residue sites for oxidation or hydrolysis possibly leading to fragmentation.« less

Low Dimensional Analysis of Wing Surface Morphology in Hummingbird Free Flight

NASA Astrophysics Data System (ADS)

Shallcross, Gregory; Ren, Yan; Liu, Geng; Dong, Haibo; Tobalske, Bret

2015-11-01

Surface morphing in flapping wings is a hallmark of bird flight. In current work, the role of dynamic wing morphing of a free flying hummingbird is studied in detail. A 3D image-based surface reconstruction method is used to obtain the kinematics and deformation of hummingbird wings from high-quality high-speed videos. The observed wing surface morphing is highly complex and a number of modeling methods including singular value decomposition (SVD) are used to obtain the fundamental kinematical modes with distinct motion features. Their aerodynamic roles are investigated by conducting immersed-boundary-method based flow simulations. The results show that the chord-wise deformation modes play key roles in the attachment of leading-edge vortex, thus improve the performance of the flapping wings. This work is supported by NSF CBET-1313217 and AFOSR FA9550-12-1-0071.

Effect of SiC Content on the Ablation and Oxidation Behavior of ZrB2-Based Ultra High Temperature Ceramic Composites

PubMed Central

Hu, Ping; Gui, Kaixuan; Yang, Yang; Dong, Shun; Zhang, Xinghong

2013-01-01

The ablation and oxidation of ZrB2-based ultra high temperature ceramic (UHTC) composites containing 10%, 15% and 30% v/v SiC were tested under different heat fluxes in a high frequency plasma wind tunnel. Performance was significantly affected by the surface temperature, which was strongly dependent on the composition. Composites containing 10% SiC showed the highest surface temperature (>2300 °C) and underwent a marked degradation under both conditions. In contrast, composites with 30% SiC exhibited the lowest surface temperature (<2000 °C) and demonstrated excellent ablation resistance. The surface temperature of UHTCs in aerothermal testing was closely associated with the dynamic evolution of the surface and bulk oxide properties, especially for the change in chemical composition on the exposed surface, which was strongly dependent on the material composition and testing parameters (i.e., heat flux, enthalpy, pressure and test time), and in turn affected its oxidation performance. PMID:28809239

Effect of SiC Content on the Ablation and Oxidation Behavior of ZrB₂-Based Ultra High Temperature Ceramic Composites.

PubMed

Hu, Ping; Gui, Kaixuan; Yang, Yang; Dong, Shun; Zhang, Xinghong

2013-04-29

The ablation and oxidation of ZrB₂-based ultra high temperature ceramic (UHTC) composites containing 10%, 15% and 30% v/v SiC were tested under different heat fluxes in a high frequency plasma wind tunnel. Performance was significantly affected by the surface temperature, which was strongly dependent on the composition. Composites containing 10% SiC showed the highest surface temperature (>2300 °C) and underwent a marked degradation under both conditions. In contrast, composites with 30% SiC exhibited the lowest surface temperature (<2000 °C) and demonstrated excellent ablation resistance. The surface temperature of UHTCs in aerothermal testing was closely associated with the dynamic evolution of the surface and bulk oxide properties, especially for the change in chemical composition on the exposed surface, which was strongly dependent on the material composition and testing parameters ( i.e. , heat flux, enthalpy, pressure and test time), and in turn affected its oxidation performance.

Dynamics of Poly(methyl methacrylate) and Polystyrene Thin Films on Hydrophobic and Hydrophilic Surfaces

NASA Astrophysics Data System (ADS)

Tsige, Mesfin

While an extensive literature dealing with the structure and dynamics of polymers at surfaces and interfaces exist, there has been a paucity of information regarding the length scale of the influence of the surface on polymer mobility and its dependence on polymer-surface interaction. To address this issue, we have investigated using molecular dynamics simulations the dynamics of PMMA and PS films of similar system sizes on two different surfaces as a function of film thickness, polymer molecular weight, and temperature. The dynamics of the polymer chains in the film on two different surfaces will be discussed in the context of a three-layer model. This work was supported by NSF Grant DMR1410290.

Microstructure in Worn Surface of Hadfield Steel Crossing

NASA Astrophysics Data System (ADS)

Zhang, F. C.; Lv, B.; Wang, T. S.; Zheng, C. L.; Li, M.; Zhang, M.

In this paper a failed Hadfield (high manganese austenite) steel crossing used in railway system was studied. The microstructure in the worn surfaces of the crossing was investigated using optical microscopy, scanning electron microscopy, transmission electron microscopy and Mössbauer spectroscopy. The results indicated that a nanocrystallization layer formed on the surface of the crossing served. The formation mechanism of the nanocrystalline is the discontinuous dynamic recrystallization. The energy for the recrystallization nucleus formation originates from the interactions between the twins, the dislocations, as well as twin and dislocation. High-density vacancies promoted the recrystallization process including the dislocation climb and the atom diffusion.

Pinch-off dynamics, extensional viscosity and relaxation time of dilute and ultradilute aqueous polymer solutions

NASA Astrophysics Data System (ADS)

Biagioli, Madeleine; Dinic, Jelena; Jimenez, Leidy Nallely; Sharma, Vivek

Free surface flows and drop formation processes present in printing, jetting, spraying, and coating involve the development of columnar necks that undergo spontaneous surface-tension driven instability, thinning, and pinch-off. Stream-wise velocity gradients that arise within the thinning neck create and extensional flow field, which induces micro-structural changes within complex fluids that contribute elastic stresses, changing the thinning and pinch-off dynamics. In this contribution, we use dripping-onto-substrate (DoS) extensional rheometry technique for visualization and analysis of the pinch-off dynamics of dilute and ultra-dilute aqueous polyethylene oxide (PEO) solutions. Using a range of molecular weights, we study the effect of both elasticity and finite extensibility. Both effective relaxation time and the transient extensional viscosity are found to be strongly concentration-dependent even for highly dilute solutions.

Validation of a Laboratory Method for Evaluating Dynamic Properties of Reconstructed Equine Racetrack Surfaces

PubMed Central

Setterbo, Jacob J.; Chau, Anh; Fyhrie, Patricia B.; Hubbard, Mont; Upadhyaya, Shrini K.; Symons, Jennifer E.; Stover, Susan M.

2012-01-01

Background Racetrack surface is a risk factor for racehorse injuries and fatalities. Current research indicates that race surface mechanical properties may be influenced by material composition, moisture content, temperature, and maintenance. Race surface mechanical testing in a controlled laboratory setting would allow for objective evaluation of dynamic properties of surface and factors that affect surface behavior. Objective To develop a method for reconstruction of race surfaces in the laboratory and validate the method by comparison with racetrack measurements of dynamic surface properties. Methods Track-testing device (TTD) impact tests were conducted to simulate equine hoof impact on dirt and synthetic race surfaces; tests were performed both in situ (racetrack) and using laboratory reconstructions of harvested surface materials. Clegg Hammer in situ measurements were used to guide surface reconstruction in the laboratory. Dynamic surface properties were compared between in situ and laboratory settings. Relationships between racetrack TTD and Clegg Hammer measurements were analyzed using stepwise multiple linear regression. Results Most dynamic surface property setting differences (racetrack-laboratory) were small relative to surface material type differences (dirt-synthetic). Clegg Hammer measurements were more strongly correlated with TTD measurements on the synthetic surface than the dirt surface. On the dirt surface, Clegg Hammer decelerations were negatively correlated with TTD forces. Conclusions Laboratory reconstruction of racetrack surfaces guided by Clegg Hammer measurements yielded TTD impact measurements similar to in situ values. The negative correlation between TTD and Clegg Hammer measurements confirms the importance of instrument mass when drawing conclusions from testing results. Lighter impact devices may be less appropriate for assessing dynamic surface properties compared to testing equipment designed to simulate hoof impact (TTD). Potential Relevance Dynamic impact properties of race surfaces can be evaluated in a laboratory setting, allowing for further study of factors affecting surface behavior under controlled conditions. PMID:23227183

Molecular Dynamics Simulations of the Interfacial Region between Boehmite and Gibbsite Basal Surfaces and High Ionic Strength Aqueous Solutions

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

Shen, Zhizhang; Ilton, Eugene S.; Prange, Micah P.

Classical molecular dynamics (MD) simulations were used to study the interactions of up to 2 M NaCl and NaNO3 aqueous solutions with the presumed inert boehmite (010) and gibbsite (001) surfaces. The force field parameters used in these simulations were validated against density functional theory calculations of Na+ and Cl- hydrated complexes adsorbed at the boehmite (010) surface. In all the classical MD simulations and regardless of the ionic strength or the nature of the anion, Na+ ions were found to preferably form inner-sphere complexes over outer-sphere complexes at the aluminum (oxy)hydroxide surfaces, adsorbing closer to the surface than bothmore » water molecules and anions. In contrast, Cl- ions were distributed almost equally between inner- and outer-sphere positions. The resulting asymmetry in adsorption strengths offers molecular-scale evidence for the observed isoelectric point (IEP) shift to higher pH at high ionic strength for aluminum (oxy)hydroxides. As such, the MD simulations also provided clear evidence against the assumption that the basal surfaces of boehmite and gibbsite are inert to background electrolytes. Finally, the MD simulations indicated that, although the adsorption behavior of Na+ in NaNO3 and NaCl solutions was similar, the different affinities of NO3- and Cl- for the aluminum (oxy)hydroxide surfaces might have macroscopic consequences, such as difference in the sensitivity of the IEP to the electrolyte concentration.« less

Oceanic biogeochemical controls on global dynamics of persistent organic pollutants.

PubMed

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

2002-10-15

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

High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO).

PubMed

Li, Jun; Carter, Stuart; Bowman, Joel M; Dawes, Richard; Xie, Daiqian; Guo, Hua

2014-07-03

The ro-vibrational spectrum of the simplest Criegee intermediate (CH2OO) has been determined quantum mechanically based on nine-dimensional potential energy and dipole surfaces for its ground electronic state. The potential energy surface is fitted to more than 50 000 high-level ab initio points with a root-mean-square error of 25 cm(-1), using a recently proposed permutation invariant polynomial neural network method. The calculated rotational constants, vibrational frequencies, and spectral intensities of CH2OO are in excellent agreement with experiment. The potential energy surface provides a valuable platform for studying highly excited vibrational and unimolecular reaction dynamics of this important molecule.

Femtosecond Measurements Of Size-Dependent Spin Crossover In FeII(pyz)Pt(CN)4 Nanocrystals

DOE PAGES

Sagar, D. M.; Baddour, Frederick G.; Konold, Patrick; ...

2016-01-07

We report a femtosecond time-resolved spectroscopic study of size-dependent dynamics in nanocrystals (NCs) of Fe(pyz)Pt(CN) 4. We observe that smaller NCs (123 or 78 nm cross section and < 25 nm thickness) exhibit signatures of spin crossover (SCO) with time constants of ~ 5-10 ps whereas larger NCs with 375 nm cross section and 43 nm thickness exhibit a weaker SCO signature accompanied by strong spectral shifting on a ~20 ps time scale. For the small NCs, the fast dynamics appear to result from thermal promotion of residual low-spin states to high-spin states following nonradiative decay, and the size dependencemore » is postulated to arise from differing high-spin vs low-spin fractions in domains residing in strained surface regions. The SCO is less efficient in larger NCs owing to their larger size and hence lower residual LS/HS fractions. Our results suggest that size-dependent dynamics can be controlled by tuning surface energy in NCs with dimensions below ~25 nm for use in energy harvesting, spin switching, and other applications.« less

Imaging nanoclusters in the constant height mode of the dynamic SFM.

PubMed

Barth, Clemens; Pakarinen, Olli H; Foster, Adam S; Henry, Claude R

2006-04-14

For the first time, high quality images of metal nanoclusters which were recorded in the constant height mode of a dynamic scanning force microscope (dynamic SFM) are shown. Surfaces of highly ordered pyrolytic graphite (HOPG) were used as a test substrate since metal nanoclusters with well defined and symmetric shapes can be created by epitaxial growth. We performed imaging of gold clusters with sizes between 5 and 15 nm in both scanning modes, constant Δf mode and constant height mode, and compared the image contrast. We notice that clusters in constant height images appear much sharper, and exhibit more reasonable lateral shapes and sizes in comparison to images recorded in the constant Δf mode. With the help of numerical simulations we show that only a microscopically small part of the tip apex (nanotip) is probably the main contributor for the image contrast formation. In principle, the constant height mode can be used for imaging surfaces of any material, e.g. ionic crystals, as shown for the system Au/NaCl(001).

Effect of surface condition on the formation of solid lubricating films at high temperatures

NASA Technical Reports Server (NTRS)

Hanyaloglu, Bengi; Graham, E. E.

1992-01-01

Solid films were produced on active metal or ceramic surfaces using lubricants (such as tricresyl phosphate) delivered as a vapor at high temperatures, and the lubricity of these deposits under different dynamic wear conditions was investigated. A method is described for chemically activating ceramic surfaces resulting in a surface that could promote the formation of lubricating polymeric derivative of TCP. Experiments were carried out to evaluate the wear characteristics of unlubricated cast iron and of Sialon ceramic at 25 and 280 C, and lubricated with a vapor of TCP at 280 C. It is shown that continuous vapor phase lubrication of chemically treated Sialon reduced its coefficient of friction from 0.7 to less than 0.1.

Dynamic surface tension measurements of ionic surfactants using maximum bubble pressure tensiometry

NASA Astrophysics Data System (ADS)

Ortiz, Camilla U.; Moreno, Norman; Sharma, Vivek

Dynamic surface tension refers to the time dependent variation in surface tension, and is intimately linked with the rate of mass transfer of a surfactant from liquid sub-phase to the interface. The diffusion- or adsorption-limited kinetics of mass transfer to interfaces is said to impact the so-called foamability and the Gibbs-Marangoni elasticity of surfaces. Dynamic surface tension measurements carried out with conventional methods like pendant drop analysis, Wilhelmy plate, etc. are limited in their temporal resolution (>50 ms). In this study, we describe design and application of maximum bubble pressure tensiometry for the measurement of dynamic surface tension effects at extremely short (1-50 ms) timescales. Using experiments and theory, we discuss the overall adsorption kinetics of charged surfactants, paying special attention to the influence of added salt on dynamic surface tension.

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

PubMed

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

2017-09-13

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

Molecular structures and intramolecular dynamics of pentahalides

NASA Astrophysics Data System (ADS)

Ischenko, A. A.

2017-03-01

This paper reviews advances of modern gas electron diffraction (GED) method combined with high-resolution spectroscopy and quantum chemical calculations in studies of the impact of intramolecular dynamics in free molecules of pentahalides. Some recently developed approaches to the electron diffraction data interpretation, based on direct incorporation of the adiabatic potential energy surface parameters to the diffraction intensity are described. In this way, complementary data of different experimental and computational methods can be directly combined for solving problems of the molecular structure and its dynamics. The possibility to evaluate some important parameters of the adiabatic potential energy surface - barriers to pseudorotation and saddle point of intermediate configuration from diffraction intensities in solving the inverse GED problem is demonstrated on several examples. With increasing accuracy of the electron diffraction intensities and the development of the theoretical background of electron scattering and data interpretation, it has become possible to investigate complex nuclear dynamics in fluxional systems by the GED method. Results of other research groups are also included in the discussion.

The impact of land use change and hydroclimatic variability on landscape connectivity dynamics across surface water networks at subcontinental scale

NASA Astrophysics Data System (ADS)

Tulbure, M. G.; Bishop-Taylor, R.; Broich, M.

2017-12-01

Land use (LU) change and hydroclimatic variability affect spatiotemporal landscape connectivity dynamics, important for species movement and dispersal. Despite the fact that LU change can strongly influence dispersal potential over time, prior research has only focused on the impacts of dynamic changes in the distribution of potential habitats. We used 8 time-steps of historical LU together with a Landsat-derived time-series of surface water habitat dynamics (1986-2011) over the Murray-Darling Basin (MDB), a region with extreme hydroclimatic variability, impacted by LU changes. To assess how changing LU and hydroclimatic variability affect landscape connectivity across time, we compared 4 scenarios, namely one where both climate and LU are dynamic over time, one where climate is kept steady (i.e. a median surface water extent layer), and two scenarios where LU is kept steady (i.e. resistance values associated with the most recent or the first LU layer). We used circuit theory to assign landscape features with `resistance' costs and graph theory network analysis, with surface water habitats as `nodes' connected by dispersal paths or `edges' Findings comparing a dry and an average season show high differences in number of nodes (14581 vs 21544) and resistance distances. The combined effect of LU change and landscape wetness was lower than expected, likely a function of the large, MDB-wide, aggregation scale. Spatially explicit analyses are expected to identify areas where the synergistic effect of LU change and landscape wetness greatly reduce or increase landscape connectivity, as well as areas where the two effects cancel each other out.

Dynamics of Wetting of Ultra Hydrophobic Surfaces

NASA Astrophysics Data System (ADS)

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

2013-11-01

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

A new dynamical index for classification of cold surge types over East Asia

NASA Astrophysics Data System (ADS)

Park, Tae-Won; Ho, Chang-Hoi; Jeong, Jee-Hoon; Heo, Jin-Woo; Deng, Yi

2015-11-01

The cold surges over East Asia can be classified into wave-train type and blocking type according to their dynamic origins. In the present study, two dynamic indices are proposed to objectively identify cold surge types using potential temperature ( θ) on the dynamic tropopause at 2-potential vorticity units (2-PVU) surface. The two indices are designed to represent primary characteristics of the two types of cold surge. The wave-train index ( WI) is defined as a difference of anomalous θ on the 2-PVU surface between the western North Pacific and northeast China, which captures a southward (northward) intrusion of cold (warm) air mass related to the trough-ridge pattern. The blocking index ( BI) is defined as a difference of anomalous θ between the subarctic region and northeast China, which indicates air mass overturning related to a reversal of the usual meridional θ gradient commonly observed in the occurrence of blocking type cold surge. Composite analyses based on the distribution of the WI and BI clearly demonstrate the dynamic evolutions of corresponding cold surge types. The wave-train cold surge is associated with a southeastward expansion of the Siberian High and northerly wind near surface, which is caused by growing baroclinic waves. During the blocking cold surge, a geopotential height dipole indicating the subarctic blocking and deepening of East Asian coastal trough induces a southward expansion of the Siberian High and northeasterly wind. Compared to the wave-train type, the blocking cold surge exhibits a longer duration and stronger intensity. In the new framework of these dynamic indices, we can detect a third type of cold surge when both the wave-train and the blocking occur together. In addition, we can exclude the events that do not have the essential features of the upper tropospheric disturbances or the subarctic anticyclonic circulation, which are responsible for cold surge occurrence, using the new indices.

Continuous monitoring bed-level dynamics on an intertidal flat: introducing novel stand-alone high-resolution SED-sensors

NASA Astrophysics Data System (ADS)

Hu, Zhan; Lenting, Walther; van der Wal, Daphne; Bouma, Tjeerd

2015-04-01

Tidal flat morphology is continuously shaped by hydrodynamic force, resulting in highly dynamic bed elevations. The knowledge of short-term bed-level changes is important both for understanding sediment transport processes as well as for assessing critical ecological processes such as e.g. vegetation recruitment chances on tidal flats. Due to the labour involved, manual discontinuous measurements lack the ability to continuously monitor bed-elevation changes. Existing methods for automated continuous monitoring of bed-level changes lack vertical accuracy (e.g., Photo-Electronic Erosion Pin sensor and resistive rod) or limited in spatial application by using expensive technology (e.g., acoustic bed level sensors). A method provides sufficient accuracy with a reasonable cost is needed. In light of this, a high-accuracy sensor (2 mm) for continuously measuring short-term Surface-Elevation Dynamics (SED-sensor) was developed. This SED-sensor makes use of photovoltaic cells and operates stand-alone using internal power supply and data logging system. The unit cost and the labour in deployments is therefore reduced, which facilitates monitoring with a number of units. In this study, the performance of a group of SED-sensors is tested against data obtained with precise manual measurements using traditional Sediment Erosion Bars (SEB). An excellent agreement between the two methods was obtained, indicating the accuracy and precision of the SED-sensors. Furthermore, to demonstrate how the SED-sensors can be used for measuring short-term bed-level dynamics, two SED-sensors were deployed for 1 month at two sites with contrasting wave exposure conditions. Daily bed-level changes were obtained including a severe storm erosion event. The difference in observed bed-level dynamics at both sites was statistically explained by their different hydrodynamic conditions. Thus, the stand-alone SED-sensor can be applied to monitor sediment surface dynamics with high vertical and temporal resolutions, which provides opportunities to pinpoint morphological responses to various forces in a number of environments (e.g. tidal flats, beaches, rivers and dunes).

Design, develop and test high temperature dynamic seals for the space shuttle's aerodynamic control surfaces

NASA Technical Reports Server (NTRS)

1973-01-01

A description is given of the design, development and testing of high temperature dynamic seals for the gaps between the structure and aerodynamic control surfaces on the space shuttle. These aerodynamic seals are required to prevent high temperature airflow from damaging thermally unprotected structures and components during entry. Two seal concepts evolved a curtain seal for the spanwise elevon cove gap, and a labyrinth seal for the area above the elevon, at the gap between the end of the elevon and the fuselage. On the basis of development testing, both seal concepts were shown to be feasible for controlling internal temperatures to 350 F or less when exposed to a typical space shuttle entry environment. The curtain seal concept demonstrated excellent test results and merits strong consideration for application on the space shuttle orbiter. The labyrinth seal concept, although demonstrating significant temperature reduction characteristics, may or may not be required on the Orbiter, depending on the actual design configuration and flight environment.

Molecular dynamics study on the microscopic details of the evaporation of water.

PubMed

Mason, Phillip E

2011-06-16

Molecular dynamics simulations were conducted on a drop of water (containing 4890 TIP3P waters) at 350 K. About 70 evaporation events were found and characterized in enough detail to determine significant patterns relating to the mechanism of evaporation. It was found that in almost all evaporation events that a single, high-energy state immediately preceded the evaporation event. In ∼50% of the cases, this high-energy state involved a short oxygen-oxygen distance, suggesting a van der Waals collision, whereas in the remaining cases, a short hydrogen-hydrogen distance was found, suggesting an electrostatic "collision". Of the high-energy states that led to evaporation, about half occurred when the coordination number of water was 1, and about half, when the coordination number was 2. It was found that the 1-coordinated waters (∼1% of the surface waters) and 2-coordinated waters (6% of the surface waters) were responsible for almost all the evaporation events. © 2011 American Chemical Society

Seismoball: A Small Europa Orbiter Drop-Off Probe for Early Exploration of the Europan Surface

NASA Technical Reports Server (NTRS)

Tamppari, L.; Zimmerman, W.; Green, J.

2001-01-01

Recent magnetometry data received from Galileo indicate that the most likely explanation for the magnetic signature there is indeed a global conducting layer below the surface. This conducting layer is well matched by a salty, mineral rich strata beneath the Europan ice crust or a salt water ocean. Galileo imaging results show a variety of terrain types thought to contain young material; for example, lineaments, chaotic terrain, and eruption features. Additionally, Galileo images have shown indications of areas of up-welling where subsurface material periodically gets pushed to the surface due to the forces of fracturing, butting, and refreezing of the ice sheet. While Europa Orbiter will provide close-flyby high resolution images, as well as magnetometry, spectroscopy and other remote sensing data of the surface, it will not be able to provide essential engineering data like surface hardness and surface ice structure needed to support eventual landed missions. Additionally, ice chemical composition at microscopic scales can only be studied in detail through in situ instrumentation. Seismoball is a small probe designed to be injected into a surface intersect orbit around Europa. Using small reverse thrusters, the probe will be capable of nulling the high horizontal injection velocity as it approaches the 2 km surface injection altitude, thus allowing it to fall to the surface at an impact velocity of < 100m/sec (much less than the DS-2 impact velocities). The external breakaway thruster structure and crushable exterior shell absorb the impact energy while allowing the science instrument suite to remain intact. JPL has already started analyzing the entry dynamics and designing/building a small, low mass probe which will withstand the impact g-forces and fit as a 'carry-on' on board the Europa Orbiter. The probe will carry a suite of 5-6 micro-instruments for imaging the surface (both microscopic and far-field), surface and shallow subsurface ice temperatures, surface hardness, crustal dynamics and periodicity, and compositional chemistry. If selected, this flight development activity will provide a unique science opportunity and adjunct to the primary Orbiter science mission. The final flight system will be designed to accommodate orbiter mass, volume, and power interface constraints, as well as entry dynamics, g-load mitigation, and arbitrary landing orientation.

Assessing the Role of Sewers and Atmospheric Deposition as Nitrate Contamination Sources to Urban Surface Waters using Stable Nitrate Isotopes

NASA Astrophysics Data System (ADS)

Sikora, M. T.; Elliott, E. M.

2009-12-01

Excess nitrate (NO3-) contributes to the overall degraded quality of streams in many urban areas. These systems are often dominated by impervious surfaces and storm sewers that can route atmospherically deposited nitrogen, from both wet and dry deposition, to waterways. Moreover, in densely populated watersheds there is the potential for interaction between urban waterways and sewer systems. The affects of accumulated nitrate in riverine and estuary systems include low dissolved oxygen, loss of species diversity, increased mortality of aquatic species, and general eutrophication of the waterbody. However, the dynamics of nitrate pollution from each source and it’s affect on urban waterways is poorly constrained. The isotopes of nitrogen and oxygen in nitrate have been proven effective in helping to distinguish contamination sources to ground and surface waters. In order to improve our understanding of urban nitrate pollution sources and dynamics, we examined nitrate isotopes (δ15N and δ18O) in base- and stormflow samples collected over a two-year period from a restored urban stream in Pittsburgh, Pennsylvania (USA). Nine Mile Run drains a 1,600 hectare urban watershed characterized by 38% impervious surface cover. Prior work has documented high nitrate export from the watershed (~19 kg NO3- ha-1 yr-1). Potential nitrate sources to the watershed include observed sewer overflows draining directly to the stream, as well as atmospheric deposition (~23 kg NO3- ha-1 yr-1). In this and other urban systems with high percentages of impervious surfaces, there is likely minimal input from nitrate derived from soil or fertilizer. In this presentation, we examine spatial and temporal patterns in nitrate isotopic composition collected at five locations along Nine Mile Run characterized by both sanitary and combined-sewer cross-connections. Preliminary isotopic analysis of low-flow winter streamwater samples suggest nitrate export from Nine Mile Run is primarily influenced by inputs of human waste despite high rates of atmospheric nitrate deposition. Further isotopic analysis of nitrate will examine seasonal variations in nitrate sources; compare nitrate dynamics and sources during low- versus high-flows, and the influence of interannual climatic variability on nitrate export.

Effect of wrinkles on the surface area of graphene: toward the design of nanoelectronics.

PubMed

Qin, Zhao; Taylor, Michael; Hwang, Mary; Bertoldi, Katia; Buehler, Markus J

2014-11-12

Graphene has attracted intense attention to the use in extreme applications. However, its small thickness facilitates wrinkle formation, and it is not clear how such structural change affects its area-specific capacitance. Herein, we combine molecular dynamics and continuum mechanics-based simulations to study the changes in surface area induced by wrinkles. We find that the high specific surface area of graphene can only be affected up to 2% regardless of loading conditions, geometry, and defects.

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.

4D cone beam CT phase sorting using high frequency optical surface measurement during image guided radiotherapy

NASA Astrophysics Data System (ADS)

Price, G. J.; Marchant, T. E.; Parkhurst, J. M.; Sharrock, P. J.; Whitfield, G. A.; Moore, C. J.

2011-03-01

In image guided radiotherapy (IGRT) two of the most promising recent developments are four dimensional cone beam CT (4D CBCT) and dynamic optical metrology of patient surfaces. 4D CBCT is now becoming commercially available and finds use in treatment planning and verification, and whilst optical monitoring is a young technology, its ability to measure during treatment delivery without dose consequences has led to its uptake in many institutes. In this paper, we demonstrate the use of dynamic patient surfaces, simultaneously captured during CBCT acquisition using an optical sensor, to phase sort projection images for 4D CBCT volume reconstruction. The dual modality approach we describe means that in addition to 4D volumetric data, the system provides correlated wide field measurements of the patient's skin surface with high spatial and temporal resolution. As well as the value of such complementary data in verification and motion analysis studies, it introduces flexibility into the acquisition of the signal required for phase sorting. The specific technique used may be varied according to individual patient circumstances and the imaging target. We give details of three different methods of obtaining a suitable signal from the optical surfaces: simply following the motion of triangulation spots used to calibrate the surfaces' absolute height; monitoring the surface height in a single, arbitrarily selected, camera pixel; and tracking, in three dimensions, the movement of a surface feature. In addition to describing the system and methodology, we present initial results from a case study oesophageal cancer patient.

Impact of lithosphere rheology on the dynamic topography

NASA Astrophysics Data System (ADS)

Burov, Evgueni; Gerya, Taras; Koptev, Alexander

2014-05-01

Dynamic topography is a key observable signature of the Earth's and planetary (e.g. Venus) mantle dynamics. In general view, it reflects complex mantle flow patterns, and hence is supposed to correlate at different extent with seismic tomography, SKS fast orientations, geodetic velocity fields and geoid anomalies. However, identification of dynamic topography had no systematic success, specifically in the Earth's continents. Here we argue that lithosphere rheology, in particular, rheological stratification of continents, results in modulation of dynamic topography, converting commonly expected long-wavelength/small amplitude undulations into short-wavelength surface undulations with wide amplitude spectrum, superimposed onto "tectonic" topography. These ideas are explored in 3D using unprecedentedly high resolution numerical experiments (grid step size 2-3 km for 1500x1500x600 km computational area) incorporating realistic rheologically stratified lithosphere. Such high resolution is actually needed to resolve small-scale crustal faulting and inter-layer coupling/uncoupling that shape surface topography. The results reveal strikingly discordant, counterintuitive features of 3D dynamic topography, going far beyond the inferences from previous models. In particular, even weak anisotropic tectonic stress field results both in large-scale small-amplitude dynamic topography and in strongly anisotropic short-wavelength (at least in one direction) dynamic topography with wide amplitude range (from 100 to 2000-3000 m), including basins and ranges and large-scale linear normal and strike-slip faults. Even very slightly pre-stressed strong lithosphere yields and localizes deformation much easier , than un-prestressed one, in response to plume impact and mantle flow. The results shed new light on the importance of lithosphere rheology and active role of lithosphere in mantle-lithosphere interactions as well as on the role of mantle flow and far-field stresses in tectonic-scale deformation. We show, for example, that crustal fault patterns initiated by plume impact are rapidly re-organized in sub-linear rifts and spreading centers, which orientation is largely dictated (e.g., perpendicular to) by the direction of the tectonic far-field stress field, as well as the plume-head material soon starts to flow along the sub-linear rifted shear zones in crustal and mantle lithosphere further amplifying their development. The final surface deformation and mantle flow patterns rapidly loose the initial axisymmetric character and take elongated sub-linear shapes whereas brittle deformation at surface is amplified and stabilized by coherent flow of mantle/plume-head material from below. These "tectonically" looking dynamic topography patterns are quite different from those expected from conventional models as well as from those directly observed, for example, on Venus where plume-lithosphere interactions produce only axisymmetric coronae domal-shaped features with radiating extensional rifts, suggesting that the Venusian lithosphere is rheologically too weak , and its crust is too thin, to produce any significant impact on the dynamic topography.

The dynamic deformation of a layered viscoelastic medium under surface excitation

NASA Astrophysics Data System (ADS)

Aglyamov, Salavat R.; Wang, Shang; Karpiouk, Andrei B.; Li, Jiasong; Twa, Michael; Emelianov, Stanislav Y.; Larin, Kirill V.

2015-06-01

In this study the dynamic behavior of a layered viscoelastic medium in response to the harmonic and impulsive acoustic radiation force applied to its surface was investigated both theoretically and experimentally. An analytical solution for a layered viscoelastic compressible medium in frequency and time domains was obtained using the Hankel transform. A special incompressible case was considered to model soft biological tissues. To verify our theoretical model, experiments were performed using tissue-like gel-based phantoms with varying mechanical properties. A 3.5 MHz single-element focused ultrasound transducer was used to apply the radiation force at the surface of the phantoms. A phase-sensitive optical coherence tomography system was used to track the displacements of the phantom surface. Theoretically predicted displacements were compared with experimental measurements. The role of the depth dependence of the elastic properties of a medium in its response to an acoustic pulse at the surface was studied. It was shown that the low-frequency vibrations at the surface are more sensitive to the deep layers than high-frequency ones. Therefore, the proposed model in combination with spectral analysis can be used to evaluate depth-dependent distribution of the mechanical properties based on the measurements of the surface deformation.

Molecular Insight into the Slipperiness of Ice.

PubMed

Weber, Bart; Nagata, Yuki; Ketzetzi, Stefania; Tang, Fujie; Smit, Wilbert J; Bakker, Huib J; Backus, Ellen H G; Bonn, Mischa; Bonn, Daniel

2018-05-16

Measurements of the friction coefficient of steel-on-ice over a large temperature range reveal very high friction at low temperatures (-100 °C) and a steep decrease in the friction coefficient with increasing temperature. Very low friction is only found over the limited temperature range typical for ice skating. The strong decrease in the friction coefficient with increasing temperature exhibits Arrhenius behavior with an activation energy of E a ≈ 11.5 kJ mol -1 . Remarkably, molecular dynamics simulations of the ice-air interface reveal a very similar activation energy for the mobility of surface molecules. Weakly hydrogen-bonded surface molecules diffuse over the surface in a rolling motion, their number and mobility increasing with increasing temperature. This correlation between macroscopic friction and microscopic molecular mobility indicates that slippery ice arises from the high mobility of its surface molecules, making the ice surface smooth and the shearing of the weakly bonded surface molecules easy.

Cavitation and bubble dynamics: the Kelvin impulse and its applications

PubMed Central

Blake, John R.; Leppinen, David M.; Wang, Qianxi

2015-01-01

Cavitation and bubble dynamics have a wide range of practical applications in a range of disciplines, including hydraulic, mechanical and naval engineering, oil exploration, clinical medicine and sonochemistry. However, this paper focuses on how a fundamental concept, the Kelvin impulse, can provide practical insights into engineering and industrial design problems. The pathway is provided through physical insight, idealized experiments and enhancing the accuracy and interpretation of the computation. In 1966, Benjamin and Ellis made a number of important statements relating to the use of the Kelvin impulse in cavitation and bubble dynamics, one of these being ‘One should always reason in terms of the Kelvin impulse, not in terms of the fluid momentum…’. We revisit part of this paper, developing the Kelvin impulse from first principles, using it, not only as a check on advanced computations (for which it was first used!), but also to provide greater physical insights into cavitation bubble dynamics near boundaries (rigid, potential free surface, two-fluid interface, flexible surface and axisymmetric stagnation point flow) and to provide predictions on different types of bubble collapse behaviour, later compared against experiments. The paper concludes with two recent studies involving (i) the direction of the jet formation in a cavitation bubble close to a rigid boundary in the presence of high-intensity ultrasound propagated parallel to the surface and (ii) the study of a ‘paradigm bubble model’ for the collapse of a translating spherical bubble, sometimes leading to a constant velocity high-speed jet, known as the Longuet-Higgins jet. PMID:26442141

Permafrost carbon−climate feedback is sensitive to deep soil carbon decomposability but not deep soil nitrogen dynamics

PubMed Central

Koven, Charles D.; Lawrence, David M.; Riley, William J.

2015-01-01

Permafrost soils contain enormous amounts of organic carbon whose stability is contingent on remaining frozen. With future warming, these soils may release carbon to the atmosphere and act as a positive feedback to climate change. Significant uncertainty remains on the postthaw carbon dynamics of permafrost-affected ecosystems, in particular since most of the carbon resides at depth where decomposition dynamics may differ from surface soils, and since nitrogen mineralized by decomposition may enhance plant growth. Here we show, using a carbon−nitrogen model that includes permafrost processes forced in an unmitigated warming scenario, that the future carbon balance of the permafrost region is highly sensitive to the decomposability of deeper carbon, with the net balance ranging from 21 Pg C to 164 Pg C losses by 2300. Increased soil nitrogen mineralization reduces nutrient limitations, but the impact of deep nitrogen on the carbon budget is small due to enhanced nitrogen availability from warming surface soils and seasonal asynchrony between deeper nitrogen availability and plant nitrogen demands. Although nitrogen dynamics are highly uncertain, the future carbon balance of this region is projected to hinge more on the rate and extent of permafrost thaw and soil decomposition than on enhanced nitrogen availability for vegetation growth resulting from permafrost thaw. PMID:25775603

Surface segregation of additives on SnO 2 based powders and their relationship with macroscopic properties

NASA Astrophysics Data System (ADS)

Pereira, Gilberto J.; Castro, Ricardo H. R.; Hidalgo, Pilar; Gouvêa, Douglas

2002-07-01

Surface properties of ceramic powders frequently play an important role in producing high-quality, high-performance, and reliable ceramic products. These properties are related to the surface bond types and interactions with the surroundings. Oxide surfaces generally contain adsorbed hydroxyl groups and modifications in the chemical composition of the surface may be studied by infrared spectroscopy. In this work, we prepared SnO 2 containing Fe or Mg ions by organic chemical route derived from Pechini's method. The prepared powders were characterized by infrared spectroscopy (FT-IR), X-ray diffraction (XRD), dynamic electrophoretic mobility and surface area determination. Results demonstrated that the studied additives segregate onto the oxide surface and modify the hydroxyl IR bands of the adsorbed hydroxyl groups. These surface modifications change some macroscopic properties of the powder such as the isoelectric point (IEP) in aqueous suspensions and the final specific surface area. The increase of the surface area with additive concentration is supposedly due to the reduction of surface energy of the powders when additives segregate on the powder surface.

ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

NASA Astrophysics Data System (ADS)

Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

2011-12-01

Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular Dynamics simulations, the ReaxFF force field can be a valuable tool for understanding heterogeneous catalysis on a solid surface. Finally, the use of a reactive potential is a necessary requirement to investigate problems where dissociative adsorption occurs, as typical of many important catalytic processes.

Surface Behavior of BSA/Water/Carbohydrate Systems from Molecular Polarizability Measurements.

PubMed

Alvarado, Ysaías J; Ferrebuz, Atilio; Paz, Jose Luis; Rodríguez-Lugo, Patricia; Restrepo, Jelem; Romero, Freddy; Fernández-Acuña, Jaqueline; Williams, Yhan O'Neil; Toro-Mendoza, Jhoan

2018-04-19

The effect of the presence of glucose and sucrose on the nonintrinsic contribution to partial molar volume ⟨Θ⟩ ni of bovine serum albumin (BSA) is determined by means of static and dynamic electronic polarizability measurements. For that aim, a combined strategy based on high-resolution refractometry, high exactitude densitometry, and synchronous fluorescence spectroscopy is applied. Both static and dynamic mean electronic molecular polarizability values are found to be sensitive to the presence of glucose. In the case of sucrose, the polarizability of BSA is not appreciably affected. In fact, our results revealed that the electronic changes observed occurred without a modification of the native conformation of BSA. On the contrary, a nonmonotonous behavior with the concentration is observed in presence of glucose. These results advocate the influence of the electronic polarization on the repulsive and attractive protein-carbohydrate interactions. An analysis using the scaled particle theory indicates that the accumulation of glucose on the protein surface promotes dehydration. Inversely, hydration and preferential exclusion occur in the vicinity of the protein surface for sucrose-enriched systems.

Molecular dynamics simulation study of the structure of poly(ethylene oxide) brushes on nonpolar surfaces in aqueous solution.

PubMed

Bedrov, Dmitry; Smith, Grant D

2006-07-04

The structure of poly(ethylene oxide) (PEO, M(w) = 526) brushes of various grafting density (sigma) on nonpolar graphite and hydrophobic (oily) surfaces in aqueous solution has been studied using atomistic molecular dynamics simulations. Additionally, the influence of PEO-surface interactions on the brush structure was investigated by systematically reducing the strength of the (dispersion) attraction between PEO and the surfaces. PEO chains were found to adsorb strongly to the graphite surface due primarily to the relative strength of dispersion interactions between PEO and the atomically dense graphite compared to those between water and graphite. For the oily surface, PEO-surface and water-surface dispersion interactions are much weaker, greatly reducing the energetic driving force for PEO adsorption. This reduction is mediated to some extent by a hydrophobic driving force for PEO adsorption on the oily surface. Reduction in the strength of PEO-surface attraction results in reduced adsorption of PEO for both surfaces, with the effect being much greater for the graphite surface where the strong PEO-surface dispersion interactions dominate. At high grafting density (sigma approximately 1/R(g)(2)), the PEO density profiles exhibited classical brush behavior and were largely independent of the strength of the PEO-surface interaction. With decreasing grafting density (sigma < 1/R(g)(2)), coverage of the surface by PEO requires an increasingly large fraction of PEO segments resulting in a strong dependence of the PEO density profile on the nature of the PEO-surface interaction.

In-process, non-destructive, dynamic testing of high-speed polymer composite rotors

NASA Astrophysics Data System (ADS)

Kuschmierz, Robert; Filippatos, Angelos; Günther, Philipp; Langkamp, Albert; Hufenbach, Werner; Czarske, Jürgen; Fischer, Andreas

2015-03-01

Polymer composite rotors are lightweight and offer great perspectives in high-speed applications such as turbo machinery. Currently, novel rotor structures and materials are investigated for the purpose of increasing machine efficiency and lifetime, as well as allowing for higher dynamic loads. However, due to the complexity of the composite materials an in-process measurement system is required. This allows for monitoring the evolution of damages under dynamic loads, for testing and predicting the structural integrity of composite rotors in process. In rotor design, it can be used for calibrating and improving models, simulating the dynamic behaviour of polymer composite rotors. The measurement system is to work non-invasive, offer micron uncertainty, as well as a high measurement rate of several tens of kHz. Furthermore, it must be applicable at high surface speeds and under technical vacuum. In order to fulfil these demands a novel laser distance measurement system was developed. It provides the angle resolved measurement of the biaxial deformation of a fibre-reinforced polymer composite rotor with micron uncertainty at surface speeds of more than 300 m/s. Furthermore, a simulation procedure combining a finite element model and a damage mechanics model is applied. A comparison of the measured data and the numerically calculated data is performed to validate the simulation towards rotor expansion. This validating procedure can be used for a model calibration in the future. The simulation procedure could be used to investigate different damage-test cases of the rotor, in order to define its structural behaviour without further experiments.

Fabrication of a highly oriented line structure on an aluminum surface and the nanoscale patterning on the nanoscale structure using highly functional molecules

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

Watanabe, Y.; Kato, H.; Takemura, S.

2009-07-15

The surface of an Al plate was treated with a combination of chemical and electrochemical processes for fabrication of surface nanoscale structures on Al plates. Chemical treatments by using acetone and pure water under supersonic waves were conducted on an Al surface. Additional electrochemical process in H{sub 2}SO{sub 4} solution created a finer and oriented nanoscale structure on the Al surface. Dynamic force microscopy (DFM) measurement clarified that the nanoscale highly oriented line structure was successfully created on the Al surface. The line distance was estimated approximately 30-40 nm. At the next stage, molecular patterning on the highly oriented linemore » structure by functional molecules such as copper phthalocyanine (CuPc) and fullerene C{sub 60} was also conducted. CuPc or C{sub 60} molecules were deposited on the highly oriented line structure on Al. A toluene droplet containing CuPc molecules was cast on the nanostructured Al plate and was extended on the surface. CuPc or C{sub 60} deposition on the nanostructured Al surface proceeded by evaporation of toluene. DFM and x-ray photoemission spectroscopy measurements demonstrated that a unique molecular pattern was fabricated so that the highly oriented groove channels were filled with the functional molecules.« less

Long-term MODIS observations of cyanobacterial dynamics in Lake Taihu: Responses to nutrient enrichment and meteorological factors

PubMed Central

Shi, Kun; Zhang, Yunlin; Zhou, Yongqiang; Liu, Xiaohan; Zhu, Guangwei; Qin, Boqiang; Gao, Guang

2017-01-01

We developed and validated an empirical model for estimating chlorophyll a concentrations (Chla) in Lake Taihu to generate a long-term Chla and algal bloom area time series from MODIS-Aqua observations for 2003 to 2013. Then, based on the long-term time series data, we quantified the responses of cyanobacterial dynamics to nutrient enrichment and climatic conditions. Chla showed substantial spatial and temporal variability. In addition, the annual mean cyanobacterial surface bloom area exhibited an increasing trend across the entire lake from 2003 to 2013, with the exception of 2006 and 2007. High air temperature and phosphorus levels in the spring can prompt cyanobacterial growth, and low wind speeds and low atmospheric pressure levels favor cyanobacterial surface bloom formation. The sensitivity of cyanobacterial dynamics to climatic conditions was found to vary by region. Our results indicate that temperature is the most important factor controlling Chla inter-annual variability followed by phosphorus and that air pressure is the most important factor controlling cyanobacterial surface bloom formation followed by wind speeds in Lake Taihu. PMID:28074871

North Pacific Cloud Feedbacks Inferred from Synoptic-Scale Dynamic and Thermodynamic Relationships

NASA Technical Reports Server (NTRS)

Norris, Joel R.; Iacobellis, Sam F.

2005-01-01

This study analyzed daily satellite cloud observations and reanalysis dynamical parameters to determine how mid-tropospheric vertical velocity and advection over the sea surface temperature gradient control midlatitude North Pacific cloud properties. Optically thick clouds with high tops are generated by synoptic ascent, but two different cloud regimes occur under synoptic descent. When vertical motion is downward during summer, extensive stratocumulus cloudiness is associated with near surface northerly wind, while frequent cloudless pixels occur with southerly wind. Examinations of ship-reported cloud types indicates that midlatitude stratocumulus breaks up as the the boundary level decouples when it is advected equatorward over warmer water. Cumulus is prevalent under conditions of synoptic descent and cold advection during winter. Poleward advection of subtropical air over colder water causes stratification of the near-surface layer that inhibits upward mixing of moisture and suppresses cloudiness until a fog eventually forms. Averaging of cloud and radiation data into intervals of 500-hPa vertical velocity and advection over the SST gradient enables the cloud response to changes in temperature and the stratification of the lower troposphere to be investigated independent of the dynamics.

Axisymmetric Lattice Boltzmann Model of Droplet Impact on Solid Surfaces

NASA Astrophysics Data System (ADS)

Dalgamoni, Hussein; Yong, Xin

2017-11-01

Droplet impact is a ubiquitous fluid phenomena encountered in scientific and engineering applications such as ink-jet printing, coating, electronics manufacturing, and many others. It is of great technological importance to understand the detailed dynamics of drop impact on various surfaces. The lattice Boltzmann method (LBM) emerges as an efficient method for modeling complex fluid systems involving rapidly evolving fluid-fluid and fluid-solid interfaces with complex geometries. In this work, we model droplet impact on flat solid substrates with well-defined wetting behavior using a two-phase axisymmetric LBM with high density and viscosity contrasts. We extend the two-dimensional Lee and Liu model to capture axisymmetric effect in the normal impact. First we compare the 2D axisymmetric results with the 2D and 3D results reported by Lee and Liu to probe the effect of axisymmetric terms. Then, we explore the effects of Weber number, Ohnesorge number, and droplet-surface equilibrium contact angle on the impact. The dynamic contact angle and spreading factor of the droplet during impact are investigated to qualitatively characterize the impact dynamics.

Eccentricity and misalignment effects on the performance of high-pressure annular seals

NASA Technical Reports Server (NTRS)

Chen, W. C.; Jackson, E. D.

1985-01-01

Annular pressure seals act as powerful hydrostatic bearings and influence the dynamic characteristics of rotating machinery. This work, using the existing concentric seal theories, provides a simple approximate method for calculation of both seal leakage and the dynamic coefficients for short seals with large eccentricity and/or misalignment of the shaft. Rotation and surface roughness effects are included for leakage and dynamic force calculation. The leakage calculations for both laminar and turbulent flow are compared with experimental results. The dynamic coefficients are compared with analytical results. Excellent agreement between the present work and published results have been observed up to the eccentricitiy ratio of 0.8.

Surface induced molecular dynamics of thin lipid films confined to submicron cavities: A 1H multiple-quantum NMR study

NASA Astrophysics Data System (ADS)

Jagadeesh, B.; Prabhakar, A.; Demco, D. E.; Buda, A.; Blümich, B.

2005-03-01

The dynamics and molecular order of thin lipid (lecithin) films confined to 200, 100 and 20 nm cylindrical pores with varying surface coverage, were investigated by 1H multiple-quantum NMR. The results show that the molecular dynamics in the surface controlled layers are less hindered compared to those in the bulk. Dynamic heterogeneity among terminal CH 3 groups is evident. Enhanced dynamic freedom is observed for films with area per molecule, ˜ 128 Å 2. The results are discussed in terms of changes in the lipid molecular organization with respect to surface concentration, its plausible motional modes and dynamic heterogeneity.

Effect of surface tension on the dynamical behavior of bubble in rotating fluids under low gravity environment

NASA Technical Reports Server (NTRS)

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

1988-01-01

Time dependent evolutions of the profile of free surface (bubble shapes) for a cylindrical container partially filled with a Newtonian fluid of constant density, rotating about its axis of symmetry, have been studied. Numerical computations of the dynamics of bubble shapes have been carried out with the following situations: (1) linear functions of spin-up and spin-down in low and microgravity environments, (2) linear functions of increasing and decreasing gravity enviroment in high and low rotating cylidner speeds, (3) step functions of spin-up and spin-down in a low gravity environment, and (4) sinusoidal function oscillation of gravity environment in high and low rotating cylinder speeds. The initial condition of bubble profiles was adopted from the steady-state formulations in which the computer algorithms have been developed by Hung and Leslie (1988), and Hung et al. (1988).

Dynamical behavior of surface tension on rotating fluids in low and microgravity environments

NASA Technical Reports Server (NTRS)

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

1989-01-01

Consideration is given to the time-dependent evolutions of the free surface profile (bubble shapes) of a cylindrical container, partially filled with a Newtonian fluid of constant density, rotating about its axis of symmetry in low and microgravity environments. The dynamics of the bubble shapes are calculated for four cases: linear time-dependent functions of spin-up and spin-down in low and microgravity, linear time-dependent functions of increasing and decreasing gravity at high and low rotating cylinder speeds, time-dependent step functions of spin-up and spin-down in low gravity, and sinusoidal function oscillation of the gravity environment in high and low rotating cylinder speeds. It is shown that the computer algorithms developed by Hung et al. (1988) may be used to simulate the profile of time-dependent bubble shapes under variations of centrifugal, capillary, and gravity forces.

Formation mechanism and mechanics of dip-pen nanolithography using molecular dynamics.

PubMed

Wu, Cheng-Da; Fang, Te-Hua; Lin, Jen-Fin

2010-03-02

Molecular dynamics simulations are used to investigate the mechanisms of molecular transference, pattern formation, and mechanical behavior in the dip-pen nanolithography (DPN) process. The effects of deposition temperature were studied using molecular trajectories, the meniscus characteristic, surface absorbed energy, and pattern formation analysis. At the first transferred stage (at the initial indentation depth), the conformation of SAM molecules lies almost on the substrate surface. The molecules start to stand on the substrate due to the pull and drag forces at the second transferred stage (after the tip is pulled up). According to the absorbed energy behavior, the second transferred stage has larger transferred amounts and the transfer rate is strongly related to temperature. When molecules were deposited at low temperature (e.g., room temperature), the pattern shape was more highly concentrated. The pattern shape at high temperatures expanded and the area increased because of good molecular diffusion.

Cu self-sputtering MD simulations for 0.1-5 keV ions at elevated temperatures

NASA Astrophysics Data System (ADS)

Metspalu, Tarvo; Jansson, Ville; Zadin, Vahur; Avchaciov, Konstantin; Nordlund, Kai; Aabloo, Alvo; Djurabekova, Flyura

2018-01-01

Self-sputtering of copper under high electric fields is considered to contribute to plasma buildup during a vacuum breakdown event frequently observed near metal surfaces, even in ultra high vacuum condition in different electric devices. In this study, by means of molecular dynamics simulations, we analyze the effect of surface temperature and morphology on the yield of self-sputtering of copper with ion energies of 0.1-5 keV. We analyze all three low-index surfaces of Cu, {1 0 0}, {1 1 0} and {1 1 1}, held at different temperatures, 300 K, 500 K and 1200 K. The surface roughness relief is studied by either varying the angle of incidence on flat surfaces, or by using arbitrary roughened surfaces, which result in a more natural distribution of surface relief variations. Our simulations provide detailed characterization of copper self-sputtering with respect to different material temperatures, crystallographic orientations, surface roughness, energies, and angles of ion incidence.

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

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

Li, Wangda; Dolocan, Andrei; Oh, Pilgun

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Dynamic behaviour of interphases and its implication on high-energy-density cathode materials in lithium-ion batteries

DOE PAGES

Li, Wangda; Dolocan, Andrei; Oh, Pilgun; ...

2017-04-26

Undesired electrode–electrolyte interactions prevent the use of many high-energy-density cathode materials in practical lithium-ion batteries. Efforts to address their limited service life have predominantly focused on the active electrode materials and electrolytes. Here an advanced three-dimensional chemical and imaging analysis on a model material, the nickel-rich layered lithium transition-metal oxide, reveals the dynamic behaviour of cathode interphases driven by conductive carbon additives (carbon black) in a common nonaqueous electrolyte. Region-of-interest sensitive secondary-ion mass spectrometry shows that a cathode-electrolyte interphase, initially formed on carbon black with no electrochemical bias applied, readily passivates the cathode particles through mutual exchange of surface species.more » By tuning the interphase thickness, we demonstrate its robustness in suppressing the deterioration of the electrode/electrolyte interface during high-voltage cell operation. Finally, our results provide insights on the formation and evolution of cathode interphases, facilitating development of in situ surface protection on high-energy-density cathode materials in lithium-based batteries.« less

Bioinspired, dynamic, structured surfaces for biofilm prevention

NASA Astrophysics Data System (ADS)

Epstein, Alexander K.

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

Structure and property relations of macromolecular self-assemblies at interfaces

NASA Astrophysics Data System (ADS)

Yang, Zhihao

Hydrophilic polymer chains, poly(ethylene glycol) (PEG), are attached to glass surfaces by silylation of the silanol groups on glass surfaces with the omega-(methoxyl terminated PEG) trimethoxysilanes. These tethered polymer chains resemble the self-assembled monolayers (SAMs) of PEG, which exhibit excellent biocompatibility and provide a model system for studying the interactions of proteins with polymer surfaces. The low molecular weight PEGs tend to extend, forming a brush-like monolayer, whereas the longer polymer chains tend to interpenetrate each other, forming a mushroom-like PEG monolayer at the interface. Interactions between a plasma protein, bovine serum albumin, and the PEG-SAMs are investigated in terms of protein adsorption and diffusion on the surfaces by the technique of fluorescence recovery after photobleaching (FRAP). The diffusion and aggregation behaviors of the protein on the two monolayers are found to be quite different despite the similarities in adsorption and desorption behaviors. The results are analyzed with a hypothesis of the hydrated surface dynamics. A method of covalently bonding phospholipid molecules to silica substrates followed by loading with free phospholipids is demonstrated to form well organized and stable phospholipid self-assembled monolayers. Surfaces of such SAMs structurally mimic the aqueous sides of phospholipid bilayer membranes. The dynamics of phospholipids and an adsorbed protein, lipase, in the SAMs are probed with FRAP, in terms of lateral diffusion of both phospholipids and protein molecules. The esterase activity of lipase on the SAM surfaces is confirmed by the hydrolysis reaction of a substrate, umbelliferone stearate, showing such lipid SAMs posess biomembrane functionality in terms of interfacial activation of the membranous enzymes. Dynamics of polyethylene oxide and polypropylene oxide tri-block copolymers, PEO-PPO-PEO and PPO-PEO-PPO, at the air/water interface upon thermal stimulation is studied by surface light scattering, in terms of the dynamic surface tension changes in response to a temperature jump. The characteristic of the surface tension relaxation is found to be highly related to the molecular structure and concentration of the copolymers at the interface.

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.

High-Bandwidth Dynamic Full-Field Profilometry for Nano-Scale Characterization of MEMS

NASA Astrophysics Data System (ADS)

Chen, Liang-Chia; Huang, Yao-Ting; Chang, Pi-Bai

2006-10-01

The article describes an innovative optical interferometric methodology to delivery dynamic surface profilometry with a measurement bandwidth up to 10MHz or higher and a vertical resolution up to 1 nm. Previous work using stroboscopic microscopic interferometry for dynamic characterization of micro (opto)electromechanical systems (M(O)EMS) has been limited in measurement bandwidth mainly within a couple of MHz. For high resonant mode analysis, the stroboscopic light pulse is insufficiently short to capture the moving fringes from dynamic motion of the detected structure. In view of this need, a microscopic prototype based on white-light stroboscopic interferometry with an innovative light superposition strategy was developed to achieve dynamic full-field profilometry with a high measurement bandwidth up to 10MHz or higher. The system primarily consists of an optical microscope, on which a Mirau interferometric objective embedded with a piezoelectric vertical translator, a high-power LED light module with dual operation modes and light synchronizing electronics unit are integrated. A micro cantilever beam used in AFM was measured to verify the system capability in accurate characterisation of dynamic behaviours of the device. The full-field seventh-mode vibration at a vibratory frequency of 3.7MHz can be fully characterized and nano-scale vertical measurement resolution as well as tens micrometers of vertical measurement range can be performed.

High-resolution liquid patterns via three-dimensional droplet shape control.

PubMed

Raj, Rishi; Adera, Solomon; Enright, Ryan; Wang, Evelyn N

2014-09-25

Understanding liquid dynamics on surfaces can provide insight into nature's design and enable fine manipulation capability in biological, manufacturing, microfluidic and thermal management applications. Of particular interest is the ability to control the shape of the droplet contact area on the surface, which is typically circular on a smooth homogeneous surface. Here, we show the ability to tailor various droplet contact area shapes ranging from squares, rectangles, hexagons, octagons, to dodecagons via the design of the structure or chemical heterogeneity on the surface. We simultaneously obtain the necessary physical insights to develop a universal model for the three-dimensional droplet shape by characterizing the droplet side and top profiles. Furthermore, arrays of droplets with controlled shapes and high spatial resolution can be achieved using this approach. This liquid-based patterning strategy promises low-cost fabrication of integrated circuits, conductive patterns and bio-microarrays for high-density information storage and miniaturized biochips and biosensors, among others.

The dynamical core of the Aeolus 1.0 statistical-dynamical atmosphere model: validation and parameter optimization

NASA Astrophysics Data System (ADS)

Totz, Sonja; Eliseev, Alexey V.; Petri, Stefan; Flechsig, Michael; Caesar, Levke; Petoukhov, Vladimir; Coumou, Dim

2018-02-01

We present and validate a set of equations for representing the atmosphere's large-scale general circulation in an Earth system model of intermediate complexity (EMIC). These dynamical equations have been implemented in Aeolus 1.0, which is a statistical-dynamical atmosphere model (SDAM) and includes radiative transfer and cloud modules (Coumou et al., 2011; Eliseev et al., 2013). The statistical dynamical approach is computationally efficient and thus enables us to perform climate simulations at multimillennia timescales, which is a prime aim of our model development. Further, this computational efficiency enables us to scan large and high-dimensional parameter space to tune the model parameters, e.g., for sensitivity studies.Here, we present novel equations for the large-scale zonal-mean wind as well as those for planetary waves. Together with synoptic parameterization (as presented by Coumou et al., 2011), these form the mathematical description of the dynamical core of Aeolus 1.0.We optimize the dynamical core parameter values by tuning all relevant dynamical fields to ERA-Interim reanalysis data (1983-2009) forcing the dynamical core with prescribed surface temperature, surface humidity and cumulus cloud fraction. We test the model's performance in reproducing the seasonal cycle and the influence of the El Niño-Southern Oscillation (ENSO). We use a simulated annealing optimization algorithm, which approximates the global minimum of a high-dimensional function.With non-tuned parameter values, the model performs reasonably in terms of its representation of zonal-mean circulation, planetary waves and storm tracks. The simulated annealing optimization improves in particular the model's representation of the Northern Hemisphere jet stream and storm tracks as well as the Hadley circulation.The regions of high azonal wind velocities (planetary waves) are accurately captured for all validation experiments. The zonal-mean zonal wind and the integrated lower troposphere mass flux show good results in particular in the Northern Hemisphere. In the Southern Hemisphere, the model tends to produce too-weak zonal-mean zonal winds and a too-narrow Hadley circulation. We discuss possible reasons for these model biases as well as planned future model improvements and applications.

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

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

Shen, Jian; Graber, Christof; Liburdy, James

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

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

PubMed

Schmitt, M; Grub, J; Heib, F

2015-06-01

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

Vapor Cavitation in Dynamically Loaded Journal Bearings

NASA Technical Reports Server (NTRS)

Jacobson, B. O.; Hamrock, B. J.

1983-01-01

High speed motion camera experiments were performed on dynamically loaded journal bearings. The length to diameter ratio of the bearing, the speed of the roller and the tube, the surface material of the roller, and the static and dynamic eccentricity of the bearing were varied. One hundred and thirty-four cases were filmed. The occurrence of vapor cavitation was clearly evident in the films and figures presented. Vapor cavitation was found to occur when the tensile stress applied to the oil exceeded the tensile strength of the oil or the binding of the oil to the surface. The physical situation in which vapor cavitation occurs is during the squeezing and sliding motion within a bearing. Besides being able to accurately capture the vapor cavitation on film, an analysis of the formation and collapse of the cavitation bubbles and characteristics of the bubble content are presented.

The effect of nanoclay on the rheology and dynamics of polychlorinated biphenyl.

PubMed

Roy, D; Casalini, R; Roland, C M

2015-12-28

The thermal, rheological, and mechanical and dielectric relaxation properties of exfoliated dispersions of montmorillonite clay in a molecular liquid, polychlorobiphenyl (PCB), were studied. The viscosity enhancement at low concentrations of clay (≤5%) exceeded by a factor of 50 the increase obtainable with conventional fillers. However, the effect of the nanoclay on the local dynamics, including the glass transition temperature, was quite small. All materials herein conformed to density-scaling of the reorientation relaxation time of the PCB for a common value of the scaling exponent. A new relaxation process was observed in the mixtures, associated with PCB molecules in proximity to the clay surface. This process has an anomalously high dielectric strength, suggesting a means to exploit nanoparticles to achieve large electrical energy absorption. This lower frequency dispersion has a weaker dependence on pressure and density, consistent with dynamics constrained by interactions with the particle surface.

Conceptual design of a self-deployable, high performance parabolic concentrator for advanced solar-dynamic power systems

NASA Astrophysics Data System (ADS)

Dehne, Hans J.

1991-05-01

NASA has initiated technology development programs to develop advanced solar dynamic power systems and components for space applications beyond 2000. Conceptual design work that was performed is described. The main efforts were the: (1) conceptual design of self-deploying, high-performance parabolic concentrator; and (2) materials selection for a lightweight, shape-stable concentrator. The deployment concept utilizes rigid gore-shaped reflective panels. The assembled concentrator takes an annular shape with a void in the center. This deployable concentrator concept is applicable to a range of solar dynamic power systems of 25 kW sub e to in excess of 75 kW sub e. The concept allows for a family of power system sizes all using the same packaging and deployment technique. The primary structural material selected for the concentrator is a polyethyl ethylketone/carbon fiber composite also referred to as APC-2 or Vitrex. This composite has a nearly neutral coefficient of thermal expansion which leads to shape stable characteristics under thermal gradient conditions. Substantial efforts were undertaken to produce a highly specular surface on the composite. The overall coefficient of thermal expansion of the composite laminate is near zero, but thermally induced stresses due to micro-movement of the fibers and matrix in relation to each other cause the surface to become nonspecular.

Conceptual design of a self-deployable, high performance parabolic concentrator for advanced solar-dynamic power systems

NASA Technical Reports Server (NTRS)

Dehne, Hans J.

1991-01-01

NASA has initiated technology development programs to develop advanced solar dynamic power systems and components for space applications beyond 2000. Conceptual design work that was performed is described. The main efforts were the: (1) conceptual design of self-deploying, high-performance parabolic concentrator; and (2) materials selection for a lightweight, shape-stable concentrator. The deployment concept utilizes rigid gore-shaped reflective panels. The assembled concentrator takes an annular shape with a void in the center. This deployable concentrator concept is applicable to a range of solar dynamic power systems of 25 kW sub e to in excess of 75 kW sub e. The concept allows for a family of power system sizes all using the same packaging and deployment technique. The primary structural material selected for the concentrator is a polyethyl ethylketone/carbon fiber composite also referred to as APC-2 or Vitrex. This composite has a nearly neutral coefficient of thermal expansion which leads to shape stable characteristics under thermal gradient conditions. Substantial efforts were undertaken to produce a highly specular surface on the composite. The overall coefficient of thermal expansion of the composite laminate is near zero, but thermally induced stresses due to micro-movement of the fibers and matrix in relation to each other cause the surface to become nonspecular.

ER-mitochondria contacts control surface glycan expression and sensitivity to killer lymphocytes in glioma stem-like cells.

PubMed

Bassoy, Esen Yonca; Kasahara, Atsuko; Chiusolo, Valentina; Jacquemin, Guillaume; Boydell, Emma; Zamorano, Sebastian; Riccadonna, Cristina; Pellegatta, Serena; Hulo, Nicolas; Dutoit, Valérie; Derouazi, Madiha; Dietrich, Pierre Yves; Walker, Paul R; Martinvalet, Denis

2017-06-01

Glioblastoma is a highly heterogeneous aggressive primary brain tumor, with the glioma stem-like cells (GSC) being more sensitive to cytotoxic lymphocyte-mediated killing than glioma differentiated cells (GDC). However, the mechanism behind this higher sensitivity is unclear. Here, we found that the mitochondrial morphology of GSCs modulates the ER-mitochondria contacts that regulate the surface expression of sialylated glycans and their recognition by cytotoxic T lymphocytes and natural killer cells. GSCs displayed diminished ER-mitochondria contacts compared to GDCs. Forced ER-mitochondria contacts in GSCs increased their cell surface expression of sialylated glycans and reduced their susceptibility to cytotoxic lymphocytes. Therefore, mitochondrial morphology and dynamism dictate the ER-mitochondria contacts in order to regulate the surface expression of certain glycans and thus play a role in GSC recognition and elimination by immune effector cells. Targeting the mitochondrial morphology, dynamism, and contacts with the ER could be an innovative strategy to deplete the cancer stem cell compartment to successfully treat glioblastoma. © 2017 The Authors.

ProtPOS: a python package for the prediction of protein preferred orientation on a surface.

PubMed

Ngai, Jimmy C F; Mak, Pui-In; Siu, Shirley W I

2016-08-15

Atomistic molecular dynamics simulation is a promising technique to investigate the energetics and dynamics in the protein-surface adsorption process which is of high relevance to modern biotechnological applications. To increase the chance of success in simulating the adsorption process, favorable orientations of the protein at the surface must be determined. Here, we present ProtPOS which is a lightweight and easy-to-use python package that can predict low-energy protein orientations on a surface of interest. It combines a fast conformational sampling algorithm with the energy calculation of GROMACS. The advantage of ProtPOS is it allows users to select any force fields suitable for the system at hand and provide structural output readily available for further simulation studies. ProtPOS is freely available for academic and non-profit uses at http://cbbio.cis.umac.mo/software/protpos Supplementary data are available at Bioinformatics online. shirleysiu@umac.mo. © The Author 2016. Published by Oxford University Press.

ProtPOS: a python package for the prediction of protein preferred orientation on a surface

PubMed Central

Ngai, Jimmy C. F.; Mak, Pui-In; Siu, Shirley W. I.

2016-01-01

Summary: Atomistic molecular dynamics simulation is a promising technique to investigate the energetics and dynamics in the protein–surface adsorption process which is of high relevance to modern biotechnological applications. To increase the chance of success in simulating the adsorption process, favorable orientations of the protein at the surface must be determined. Here, we present ProtPOS which is a lightweight and easy-to-use python package that can predict low-energy protein orientations on a surface of interest. It combines a fast conformational sampling algorithm with the energy calculation of GROMACS. The advantage of ProtPOS is it allows users to select any force fields suitable for the system at hand and provide structural output readily available for further simulation studies. Availability and Implementation: ProtPOS is freely available for academic and non-profit uses at http://cbbio.cis.umac.mo/software/protpos Supplementary information: Supplementary data are available at Bioinformatics online. Contact: shirleysiu@umac.mo PMID:27153619

Gas and plasma dynamics of RF discharge jet of low pressure in a vacuum chamber with flat electrodes and inside tube, influence of RF discharge on the steel surface parameters

NASA Astrophysics Data System (ADS)

Khristoliubova, V. I.; Kashapov, N. F.; Shaekhov, M. F.

2016-06-01

Researches results of the characteristics of the RF discharge jet of low pressure and the discharge influence on the surface modification of high speed and structural steels are introduced in the article. Gas dynamics, power and energy parameters of the RF low pressure discharge flow in the discharge chamber and the electrode gap are studied in the presence of the materials. Plasma flow rate, discharge power, the concentration of electrons, the density of RF power, the ion current density, and the energy of the ions bombarding the surface materials are considered for the definition of basic properties crucial for the process of surface modification of materials as they were put in the plasma jet. The influence of the workpiece and effect of products complex configuration on the RF discharge jet of low pressure is defined. The correlation of the input parameters of the plasma unit on the characteristics of the discharge is established.

Water Drop Evaporation on Mushroom-like Superhydrophobic Surfaces: Temperature Effects.

PubMed

do Nascimento, Rodney Marcelo; Cottin-Bizonne, Cécile; Pirat, Christophe; Ramos, Stella M M

2016-03-01

We report on experiments of drop evaporation on heated superhydrophobic surfaces decorated with micrometer-sized mushroom-like pillars. We analyze the influence of two parameters on the evaporation dynamics: the solid-liquid fraction and the substrate temperature, ranging between 30 and 80 °C. In the different configurations investigated, the drop evaporation appears to be controlled by the contact line dynamics (pinned or moving). The experimental results show that (i) in the pinned regime, the depinning angles increase with decreasing contact fraction and the substrate heating promotes the contact line depinning and (ii) in the moving regime, the droplet motion is described by periodic stick-slip events and contact-angle oscillations. These features are highly smoothed at the highest temperatures, with two possible mechanisms suggested to explain such a behavior, a reduction in the elasticity of the triple line and a decrease in the depinning energy barriers. For all surfaces, the observed remarkable stability of the "fakir" state to the temperature is attributed to the re-entrant micropillar curvature that prevents surface imbibition.

Impact of local electrostatic field rearrangement on field ionization

NASA Astrophysics Data System (ADS)

Katnagallu, Shyam; Dagan, Michal; Parviainen, Stefan; Nematollahi, Ali; Grabowski, Blazej; Bagot, Paul A. J.; Rolland, Nicolas; Neugebauer, Jörg; Raabe, Dierk; Vurpillot, François; Moody, Michael P.; Gault, Baptiste

2018-03-01

Field ion microscopy allows for direct imaging of surfaces with true atomic resolution. The high charge density distribution on the surface generates an intense electric field that can induce ionization of gas atoms. We investigate the dynamic nature of the charge and the consequent electrostatic field redistribution following the departure of atoms initially constituting the surface in the form of an ion, a process known as field evaporation. We report on a new algorithm for image processing and tracking of individual atoms on the specimen surface enabling quantitative assessment of shifts in the imaged atomic positions. By combining experimental investigations with molecular dynamics simulations, which include the full electric charge, we confirm that change is directly associated with the rearrangement of the electrostatic field that modifies the imaging gas ionization zone. We derive important considerations for future developments of data reconstruction in 3D field ion microscopy, in particular for precise quantification of lattice strains and characterization of crystalline defects at the atomic scale.

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

DOE PAGES

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

2018-03-22

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

Automatic anatomical structures location based on dynamic shape measurement

NASA Astrophysics Data System (ADS)

Witkowski, Marcin; Rapp, Walter; Sitnik, Robert; Kujawinska, Malgorzata; Vander Sloten, Jos; Haex, Bart; Bogaert, Nico; Heitmann, Kjell

2005-09-01

New image processing methods and active photonics apparatus have made possible the development of relatively inexpensive optical systems for complex shape and object measurements. We present dynamic 360° scanning method for analysis of human lower body biomechanics, with an emphasis on the analysis of the knee joint. The anatomical structure (of high medical interest) that is possible to scan and analyze, is patella. Tracking of patella position and orientation under dynamic conditions may lead to detect pathological patella movements and help in knee joint disease diagnosis. The processed data is obtained from a dynamic laser triangulation surface measurement system, able to capture slow to normal movements with a scan frequency between 15 and 30 Hz. These frequency rates are enough to capture controlled movements used e.g. for medical examination purposes. The purpose of the work presented is to develop surface analysis methods that may be used as support of diagnosis of motoric abilities of lower limbs. The paper presents algorithms used to process acquired lower limbs surface data in order to find the position and orientation of patella. The algorithms implemented include input data preparation, curvature description methods, knee region discrimination and patella assumed position/orientation calculation. Additionally, a method of 4D (3D + time) medical data visualization is proposed. Also some exemplary results are presented.

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

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

Sornborger, Andrew Tyler; Stancil, Phillip; Geller, Michael R.

Here, one of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputedmore » potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born–Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3–8 channels and circuit depths < 1000.« less

Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions

NASA Astrophysics Data System (ADS)

Sornborger, Andrew T.; Stancil, Phillip; Geller, Michael R.

2018-05-01

One of the most promising applications of an error-corrected universal quantum computer is the efficient simulation of complex quantum systems such as large molecular systems. In this application, one is interested in both the electronic structure such as the ground state energy and dynamical properties such as the scattering cross section and chemical reaction rates. However, most theoretical work and experimental demonstrations have focused on the quantum computation of energies and energy surfaces. In this work, we attempt to make the prethreshold (not error-corrected) quantum simulation of dynamical properties practical as well. We show that the use of precomputed potential energy surfaces and couplings enables the gate-based simulation of few-channel but otherwise realistic molecular collisions. Our approach is based on the widely used Born-Oppenheimer approximation for the structure problem coupled with a semiclassical method for the dynamics. In the latter the electrons are treated quantum mechanically but the nuclei are classical, which restricts the collisions to high energy or temperature (typically above ≈ 10 eV). By using operator splitting techniques optimized for the resulting time-dependent Hamiltonian simulation problem, we give several physically realistic collision examples, with 3-8 channels and circuit depths < 1000.

The dynamic bacterial communities of a melting High Arctic glacier snowpack

PubMed Central

Hell, Katherina; Edwards, Arwyn; Zarsky, Jakub; Podmirseg, Sabine M; Girdwood, Susan; Pachebat, Justin A; Insam, Heribert; Sattler, Birgit

2013-01-01

Snow environments can occupy over a third of land surface area, but little is known about the dynamics of snowpack bacteria. The effect of snow melt on bacterial community structure and diversity of surface environments of a Svalbard glacier was examined using analyses of 16S rRNA genes via T-RFLP, qPCR and 454 pyrosequencing. Distinct community structures were found in different habitat types, with changes over 1 week apparent, in particular for the dominant bacterial class present, Betaproteobacteria. The differences observed were consistent with influences from depositional mode (snowfall vs aeolian dusts), contrasting snow with dust-rich snow layers and near-surface ice. Contrary to that, slush as the decompositional product of snow harboured distinct lineages of bacteria, further implying post-depositional changes in community structure. Taxa affiliated to the betaproteobacterial genus Polaromonas were particularly dynamic, and evidence for the presence of betaproteobacterial ammonia-oxidizing bacteria was uncovered, inviting the prospect that the dynamic bacterial communities associated with snowpacks may be active in supraglacial nitrogen cycling and capable of rapid responses to changes induced by snowmelt. Furthermore the potential of supraglacial snowpack ecosystems to respond to transient yet spatially extensive melting episodes such as that observed across most of Greenland's ice sheet in 2012 merits further investigation. PMID:23552623

The dynamic bacterial communities of a melting High Arctic glacier snowpack.

PubMed

Hell, Katherina; Edwards, Arwyn; Zarsky, Jakub; Podmirseg, Sabine M; Girdwood, Susan; Pachebat, Justin A; Insam, Heribert; Sattler, Birgit

2013-09-01

Snow environments can occupy over a third of land surface area, but little is known about the dynamics of snowpack bacteria. The effect of snow melt on bacterial community structure and diversity of surface environments of a Svalbard glacier was examined using analyses of 16S rRNA genes via T-RFLP, qPCR and 454 pyrosequencing. Distinct community structures were found in different habitat types, with changes over 1 week apparent, in particular for the dominant bacterial class present, Betaproteobacteria. The differences observed were consistent with influences from depositional mode (snowfall vs aeolian dusts), contrasting snow with dust-rich snow layers and near-surface ice. Contrary to that, slush as the decompositional product of snow harboured distinct lineages of bacteria, further implying post-depositional changes in community structure. Taxa affiliated to the betaproteobacterial genus Polaromonas were particularly dynamic, and evidence for the presence of betaproteobacterial ammonia-oxidizing bacteria was uncovered, inviting the prospect that the dynamic bacterial communities associated with snowpacks may be active in supraglacial nitrogen cycling and capable of rapid responses to changes induced by snowmelt. Furthermore the potential of supraglacial snowpack ecosystems to respond to transient yet spatially extensive melting episodes such as that observed across most of Greenland's ice sheet in 2012 merits further investigation.

Structural phase transitions and time-resolved dynamics of solid-supported interfacial methanol observed by reflection electron diffraction

NASA Astrophysics Data System (ADS)

Yang, Ding-Shyue; He, Xing; Wu, Chengyi

Due to their large scattering cross sections with matter, electrons are suitable for contactless probing of solid-supported surface assemblies, especially in a reflection geometry. Direct visualization of assembly structures through electron diffraction further enables studies of ultrafast structural dynamics through the pump-probe scheme as well as discoveries of hidden phase changes in equilibrium that have been obscure in spectroscopic measurements. In this presentation, we report our first observation of unique two-stage transformations of interfacial methanol on smooth hydrophobic surfaces. The finding may reconcile the inconsistent previous reports of the crystallization temperature using various indirect methods. Dynamically, energy transfer across a solid-molecule interface following photoexcitation of the substrate is found to be highly dependent on the structure of interfacial methanol. If it is only 2-dimensionally ordered, as the film thickness increases, a prolonged time in the decrease of diffraction intensity is seen, signifying an inefficient vibrational coupling in the surface normal direction. Implications of the dynamics results and an outlook of interfacial studies using time-resolved and averaged electron diffraction will be discussed. We gratefully acknowledge the support from the R. A. Welch Foundation (Grant No. E-1860), the Donors of the American Chemical Society Petroleum Research Fund (ACS-PRF), and the University of Houston.

Gelation And Mechanical Response of Patchy Rods

NASA Astrophysics Data System (ADS)

Kazem, Navid; Majidi, Carmel; Maloney, Craig

We perform Brownian Dynamics simulations to study the gelation of suspensions of attractive, rod-like particles. We show that details of the particle-particle interactions can dramatically affect the dynamics of gelation and the structure and mechanics of the networks that form. If the attraction between the rods is perfectly smooth along their length, they will collapse into compact bundles. If the attraction is sufficiently corrugated or patchy, over time, a rigid space spanning network forms. We study the structure and mechanical properties of the networks that form as a function of the fraction of the surface that is allowed to bind. Surprisingly, the structural and mechanical properties are non-monotonic in the surface coverage. At low coverage, there are not a sufficient number of cross-linking sites to form networks. At high coverage, rods bundle and form disconnected clusters. At intermediate coverage, robust networks form. The elastic modulus and yield stress are both non-monotonic in the surface coverage. The stiffest and strongest networks show an essentially homogeneous deformation under strain with rods re-orienting along the extensional axis. Weaker, clumpy networks at high surface coverage exhibit relatively little re-orienting with strong non-affine deformation. These results suggest design strategies for tailoring surface interactions between rods to yield rigid networks with optimal properties. National Science Foundation and the Air Force Office of Scientific Research.

The dynamic ocean biological pump: Insights from a global compilation of particulate organic carbon, CaCO3, and opal concentration profiles from the mesopelagic

NASA Astrophysics Data System (ADS)

Lam, Phoebe J.; Doney, Scott C.; Bishop, James K. B.

2011-09-01

We have compiled a global data set of 62 open ocean profiles of particulate organic carbon (POC), CaCO3, and opal concentrations collected by large volume in situ filtration in the upper 1000 m over the last 30 years. We define concentration-based metrics for the strength (POC concentration at depth) and efficiency (attenuation of POC with depth in the mesopelagic) of the biological pump. We show that the strength and efficiency of the biological pump are dynamic and are characterized by a regime of constant and high transfer efficiency at low to moderate surface POC and a bloom regime where the height of the bloom is characterized by a weak deep biological pump and low transfer efficiency. The variability in POC attenuation length scale manifests in a clear decoupling between the strength of the shallow biological pump (e.g., POC at the export depth) and the strength of the deep biological pump (POC at 500 m). We suggest that the paradigm of diatom-driven export production is driven by a too restrictive perspective on upper mesopelagic dynamics. Indeed, our full mesopelagic analysis suggests that large, blooming diatoms have low transfer efficiency and thus may not export substantially to depth; rather, our analysis suggests that ecosystems characterized by smaller cells and moderately high %CaCO3 have a high mesopelagic transfer efficiency and can have higher POC concentrations in the deep mesopelagic even with relatively low surface or near-surface POC. This has negative implications for the carbon sequestration prospects of deliberate iron fertilization.

Direct measurements of meltwater runoff on the Greenland ice sheet surface

NASA Astrophysics Data System (ADS)

Smith, Laurence C.; Yang, Kang; Pitcher, Lincoln H.; Overstreet, Brandon T.; Chu, Vena W.; Rennermalm, Åsa K.; Ryan, Jonathan C.; Cooper, Matthew G.; Gleason, Colin J.; Tedesco, Marco; Jeyaratnam, Jeyavinoth; van As, Dirk; van den Broeke, Michiel R.; van de Berg, Willem Jan; Noël, Brice; Langen, Peter L.; Cullather, Richard I.; Zhao, Bin; Willis, Michael J.; Hubbard, Alun; Box, Jason E.; Jenner, Brittany A.; Behar, Alberto E.

2017-12-01

Meltwater runoff from the Greenland ice sheet surface influences surface mass balance (SMB), ice dynamics, and global sea level rise, but is estimated with climate models and thus difficult to validate. We present a way to measure ice surface runoff directly, from hourly in situ supraglacial river discharge measurements and simultaneous high-resolution satellite/drone remote sensing of upstream fluvial catchment area. A first 72-h trial for a 63.1-km2 moulin-terminating internally drained catchment (IDC) on Greenland's midelevation (1,207–1,381 m above sea level) ablation zone is compared with melt and runoff simulations from HIRHAM5, MAR3.6, RACMO2.3, MERRA-2, and SEB climate/SMB models. Current models cannot reproduce peak discharges or timing of runoff entering moulins but are improved using synthetic unit hydrograph (SUH) theory. Retroactive SUH applications to two older field studies reproduce their findings, signifying that remotely sensed IDC area, shape, and supraglacial river length are useful for predicting delays in peak runoff delivery to moulins. Applying SUH to HIRHAM5, MAR3.6, and RACMO2.3 gridded melt products for 799 surrounding IDCs suggests their terminal moulins receive lower peak discharges, less diurnal variability, and asynchronous runoff timing relative to climate/SMB model output alone. Conversely, large IDCs produce high moulin discharges, even at high elevations where melt rates are low. During this particular field experiment, models overestimated runoff by +21 to +58%, linked to overestimated surface ablation and possible meltwater retention in bare, porous, low-density ice. Direct measurements of ice surface runoff will improve climate/SMB models, and incorporating remotely sensed IDCs will aid coupling of SMB with ice dynamics and subglacial systems.

Dynamics of liquid films exposed to high-frequency surface vibration

NASA Astrophysics Data System (ADS)

Manor, Ofer; Rezk, Amgad R.; Friend, James R.; Yeo, Leslie Y.

2015-05-01

We derive a generalized equation that governs the spreading of liquid films under high-frequency (MHz-order) substrate vibration in the form of propagating surface waves and show that this single relationship is universally sufficient to collectively describe the rich and diverse dynamic phenomena recently observed for the transport of oil films under such substrate excitation, in particular, Rayleigh surface acoustic waves. In contrast to low-frequency (Hz- to kHz-order) vibration-induced wetting phenomena, film spreading at such high frequencies arises from convective drift generated by the viscous periodic flow localized in a region characterized by the viscous penetration depth β-1≡(2μ /ρ ω ) 1 /2 adjacent to the substrate that is invoked directly by its vibration; μ and ρ are the viscosity and the density of the liquid, respectively, and ω is the excitation frequency. This convective drift is responsible for driving the spreading of thin films of thickness h ≪kl-1 , which spread self-similarly as t1 /4 along the direction of the drift corresponding to the propagation direction of the surface wave, kl being the wave number of the compressional acoustic wave that forms in the liquid due to leakage of the surface wave energy from the substrate into the liquid and t the time. Films of greater thicknesses h ˜kl-1≫β-1 , in contrast, are observed to spread with constant velocity but in a direction that opposes the drift and surface wave propagation due to the attenuation of the acoustic wave in the liquid. The universal equation derived allows for the collective prediction of the spreading of these thin and thick films in opposing directions.

Direct measurements of meltwater runoff on the Greenland ice sheet surface.

PubMed

Smith, Laurence C; Yang, Kang; Pitcher, Lincoln H; Overstreet, Brandon T; Chu, Vena W; Rennermalm, Åsa K; Ryan, Jonathan C; Cooper, Matthew G; Gleason, Colin J; Tedesco, Marco; Jeyaratnam, Jeyavinoth; van As, Dirk; van den Broeke, Michiel R; van de Berg, Willem Jan; Noël, Brice; Langen, Peter L; Cullather, Richard I; Zhao, Bin; Willis, Michael J; Hubbard, Alun; Box, Jason E; Jenner, Brittany A; Behar, Alberto E

2017-12-12

Meltwater runoff from the Greenland ice sheet surface influences surface mass balance (SMB), ice dynamics, and global sea level rise, but is estimated with climate models and thus difficult to validate. We present a way to measure ice surface runoff directly, from hourly in situ supraglacial river discharge measurements and simultaneous high-resolution satellite/drone remote sensing of upstream fluvial catchment area. A first 72-h trial for a 63.1-km 2 moulin-terminating internally drained catchment (IDC) on Greenland's midelevation (1,207-1,381 m above sea level) ablation zone is compared with melt and runoff simulations from HIRHAM5, MAR3.6, RACMO2.3, MERRA-2, and SEB climate/SMB models. Current models cannot reproduce peak discharges or timing of runoff entering moulins but are improved using synthetic unit hydrograph (SUH) theory. Retroactive SUH applications to two older field studies reproduce their findings, signifying that remotely sensed IDC area, shape, and supraglacial river length are useful for predicting delays in peak runoff delivery to moulins. Applying SUH to HIRHAM5, MAR3.6, and RACMO2.3 gridded melt products for 799 surrounding IDCs suggests their terminal moulins receive lower peak discharges, less diurnal variability, and asynchronous runoff timing relative to climate/SMB model output alone. Conversely, large IDCs produce high moulin discharges, even at high elevations where melt rates are low. During this particular field experiment, models overestimated runoff by +21 to +58%, linked to overestimated surface ablation and possible meltwater retention in bare, porous, low-density ice. Direct measurements of ice surface runoff will improve climate/SMB models, and incorporating remotely sensed IDCs will aid coupling of SMB with ice dynamics and subglacial systems. Copyright © 2017 the Author(s). Published by PNAS.

Direct measurements of meltwater runoff on the Greenland ice sheet surface

PubMed Central

Smith, Laurence C.; Yang, Kang; Pitcher, Lincoln H; Overstreet, Brandon T.; Chu, Vena W.; Rennermalm, Åsa K.; Ryan, Jonathan C.; Cooper, Matthew G.; Gleason, Colin J.; Tedesco, Marco; Jeyaratnam, Jeyavinoth; van As, Dirk; van den Broeke, Michiel R.; van de Berg, Willem Jan; Noël, Brice; Langen, Peter L.; Cullather, Richard I.; Zhao, Bin; Hubbard, Alun; Box, Jason E.; Jenner, Brittany A.; Behar, Alberto E.

2017-01-01

Meltwater runoff from the Greenland ice sheet surface influences surface mass balance (SMB), ice dynamics, and global sea level rise, but is estimated with climate models and thus difficult to validate. We present a way to measure ice surface runoff directly, from hourly in situ supraglacial river discharge measurements and simultaneous high-resolution satellite/drone remote sensing of upstream fluvial catchment area. A first 72-h trial for a 63.1-km2 moulin-terminating internally drained catchment (IDC) on Greenland’s midelevation (1,207–1,381 m above sea level) ablation zone is compared with melt and runoff simulations from HIRHAM5, MAR3.6, RACMO2.3, MERRA-2, and SEB climate/SMB models. Current models cannot reproduce peak discharges or timing of runoff entering moulins but are improved using synthetic unit hydrograph (SUH) theory. Retroactive SUH applications to two older field studies reproduce their findings, signifying that remotely sensed IDC area, shape, and supraglacial river length are useful for predicting delays in peak runoff delivery to moulins. Applying SUH to HIRHAM5, MAR3.6, and RACMO2.3 gridded melt products for 799 surrounding IDCs suggests their terminal moulins receive lower peak discharges, less diurnal variability, and asynchronous runoff timing relative to climate/SMB model output alone. Conversely, large IDCs produce high moulin discharges, even at high elevations where melt rates are low. During this particular field experiment, models overestimated runoff by +21 to +58%, linked to overestimated surface ablation and possible meltwater retention in bare, porous, low-density ice. Direct measurements of ice surface runoff will improve climate/SMB models, and incorporating remotely sensed IDCs will aid coupling of SMB with ice dynamics and subglacial systems. PMID:29208716

Ground-based Remote Sensing for Quantifying Subsurface and Surface Co-variability to Scale Arctic Ecosystem Functioning

NASA Astrophysics Data System (ADS)

Oktem, R.; Wainwright, H. M.; Curtis, J. B.; Dafflon, B.; Peterson, J.; Ulrich, C.; Hubbard, S. S.; Torn, M. S.

2016-12-01

Predicting carbon cycling in Arctic requires quantifying tightly coupled surface and subsurface processes including permafrost, hydrology, vegetation and soil biogeochemistry. The challenge has been a lack of means to remotely sense key ecosystem properties in high resolution and over large areas. A particular challenge has been characterizing soil properties that are known to be highly heterogeneous. In this study, we exploit tightly-coupled above/belowground ecosystem functioning (e.g., the correlations among soil moisture, vegetation and carbon fluxes) to estimate subsurface and other key properties over large areas. To test this concept, we have installed a ground-based remote sensing platform - a track-mounted tram system - along a 70 m transect in the ice-wedge polygonal tundra near Barrow, Alaska. The tram carries a suite of near-surface remote sensing sensors, including sonic depth, thermal IR, NDVI and multispectral sensors. Joint analysis with multiple ground-based measurements (soil temperature, active layer soil moisture, and carbon fluxes) was performed to quantify correlations and the dynamics of above/belowground processes at unprecedented resolution, both temporally and spatially. We analyzed the datasets with particular focus on correlating key subsurface and ecosystem properties with surface properties that can be measured by satellite/airborne remote sensing over a large area. Our results provided several new insights about system behavior and also opens the door for new characterization approaches. We documented that: (1) soil temperature (at >5 cm depth; critical for permafrost thaw) was decoupled from soil surface temperature and was influenced strongly by soil moisture, (2) NDVI and greenness index were highly correlated with both soil moisture and gross primary productivity (based on chamber flux data), and (3) surface deformation (which can be measured by InSAR) was a good proxy for thaw depth dynamics at non-inundated locations.

Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment

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

Pratihar, Subha; Barnes, George L.; Laskin, Julia

In this Perspective mass spectrometry experiments and chemical dynamics simulations are described which have explored the atomistic dynamics of protonated peptide ions, peptide-H+, colliding with organic surfaces. These studies have investigated surface-induced dissociation (SID) for which peptide-H+ fragments upon collision with the surface, peptide-H+ physisorption on the surface, soft landing (SL), and peptide-H+ reaction with the surface, reactive landing (RL). The simulations include QM+MM and QM/MM direct dynamics. For collisions with self-assembled monolayer (SAM) surfaces there is quite good agreement between experiment and simulation in the efficiency of energy transfer to the peptide-H+ ion’s internal degrees of freedom. Both themore » experiments and simulations show two mechanisms for peptide-H+ fragmentation, i.e. shattering and statistical, RRKM dynamics. Mechanisms for SL are probed in simulations of collisions of protonated dialanine with a perfluorinated SAM surface. RL has been studied experimentally for a number of peptide-H+ + surface systems, and qualitative agreement between simulation and experiment is found for two similar systems.« less

Friction Regimes of Water-Lubricated Diamond (111): Role of Interfacial Ether Groups and Tribo-Induced Aromatic Surface Reconstructions

NASA Astrophysics Data System (ADS)

Kuwahara, Takuya; Moras, Gianpietro; Moseler, Michael

2017-09-01

Large-scale quantum molecular dynamics of water-lubricated diamond (111) surfaces in sliding contact reveals multiple friction regimes. While water starvation causes amorphization of the tribological interface, small H2O traces are sufficient to preserve crystallinity. This can result in high friction due to cold welding via ether groups or in ultralow friction due to aromatic surface passivation triggered by tribo-induced Pandey reconstruction. At higher water coverage, Grotthuss-type diffusion and H2O dissociation yield dense H /OH surface passivation leading to another ultralow friction regime.

Dynamic determination of secondary electron emission using a calorimetric probe in a plasma immersion ion implantation experiment

NASA Astrophysics Data System (ADS)

Haase, Fabian; Manova, Darina; Hirsch, Dietmar; Mändl, Stephan; Kersten, Holger

2018-04-01

A passive thermal probe has been used to detect dynamic changes in the secondary electron emission (SEE). Oxidized and nitrided materials have been studied during argon ion sputtering in a plasma immersion ion implantation process. Identical measurements have been performed for the metallic state with high voltage pulses accelerating nitrogen ions towards the surface, supposedly forming a nitride layer. Energy flux data were combined with scanning electron microscopy images of the surface to obtain information about the actual surface composition as well as trends and changes during the process. Within the measurements, a direct comparison of the SEE within both employed ion species (argon and nitrogen) is possible while an absolute quantification is still open. Additionally, the nominal composition of the investigated oxide and nitride layers does not always correspond to stoichiometric compounds. Nevertheless, the oxides showed a remarkably higher SEE compared to the pure metals, while an indistinct behavior was observed for the nitrides: some higher, some lower than the clean metal surfaces. For the aluminum alloy AlMg3 a complex time dependent evolution was observed with consecutive oxidation/sputtering cycles leading to a very rough surface with a diminished oxide layer, leading to an almost black surface of the metal and non-reproducible changes in the SEE. The presented method is a versatile technique for measuring dynamic changes of the surface for materials commonly used in PVD processes with a time resolution of about 1 min, e.g. magnetron sputtering or HiPIMS, where changes in the target or electrode composition are occurring but cannot be measured directly.

Attached cavitation at a small diameter ultrasonic horn tip

NASA Astrophysics Data System (ADS)

Žnidarčič, Anton; Mettin, Robert; Cairós, Carlos; Dular, Matevž

2014-02-01

Ultrasonic horn transducers are frequently used in applications of acoustic cavitation in liquids, for instance, for cell disruption or sonochemical reactions. They are operated typically in the frequency range up to about 50 kHz and have tip diameters from some mm to several cm. It has been observed that if the horn tip is sufficiently small and driven at high amplitude, cavitation is very strong, and the tip can be covered entirely by the gas/vapor phase for longer time intervals. A peculiar dynamics of the attached cavity can emerge with expansion and collapse at a self-generated frequency in the subharmonic range, i.e., below the acoustic driving frequency. Here, we present a systematic study of the cavitation dynamics in water at a 20 kHz horn tip of 3 mm diameter. The system was investigated by high-speed imaging with simultaneous recording of the acoustic emissions. Measurements were performed under variation of acoustic power, air saturation, viscosity, surface tension, and temperature of the liquid. Our findings show that the liquid properties play no significant role in the dynamics of the attached cavitation at the small ultrasonic horn. Also the variation of the experimental geometry, within a certain range, did not change the dynamics. We believe that the main two reasons for the peculiar dynamics of cavitation on a small ultrasonic horn are the higher energy density on a small tip and the inability of the big tip to "wash" away the gaseous bubbles. Calculation of the somewhat adapted Strouhal number revealed that, similar to the hydrodynamic cavitation, values which are relatively low characterize slow cavitation structure dynamics. In cases where the cavitation follows the driving frequency this value lies much higher - probably at Str > 20. In the spirit to distinguish the observed phenomenon with other cavitation dynamics at ultrasonic transducer surfaces, we suggest to term the observed phenomenon of attached cavities partly covering the full horn tip as "acoustic supercavitation." This reflects the conjecture that not the sound field in terms of acoustic (negative) pressure in the liquid is responsible for nucleation, but the motion of the transducer surface.

Restricted mobility of side chains on concave surfaces of solenoid proteins may impart heightened potential for intermolecular interactions.

PubMed

Ramya, L; Gautham, N; Chaloin, Laurent; Kajava, Andrey V

2015-09-01

Significant progress has been made in the determination of the protein structures with their number today passing over a hundred thousand structures. The next challenge is the understanding and prediction of protein-protein and protein-ligand interactions. In this work we address this problem by analyzing curved solenoid proteins. Many of these proteins are considered as "hub molecules" for their high potential to interact with many different molecules and to be a scaffold for multisubunit protein machineries. Our analysis of these structures through molecular dynamics simulations reveals that the mobility of the side-chains on the concave surfaces of the solenoids is lower than on the convex ones. This result provides an explanation to the observed preferential binding of the ligands, including small and flexible ligands, to the concave surface of the curved solenoid proteins. The relationship between the landscapes and dynamic properties of the protein surfaces can be further generalized to the other types of protein structures and eventually used in the computer algorithms, allowing prediction of protein-ligand interactions by analysis of protein surfaces. © 2015 Wiley Periodicals, Inc.

Quantification of surface displacements and electromechanical phenomena via dynamic atomic force microscopy

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

Balke, Nina; Jesse, Stephen; Yu, Pu

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of atomic force microscopy (AFM) have been shown capable of detecting ~1–3 pm-level surface displacements, an approach used in techniques such as piezoresponse force microscopy, atomic force acoustic microscopy, and ultrasonic force microscopy. Here, based on an analytical model of AFM cantilever vibrations, we demonstrate a guideline to quantify surface displacements with high accuracy by taking into account the cantilever shape at the first resonant contact mode, depending on the tip–sample contact stiffness. The approachmore » has been experimentally verified and further developed for piezoresponse force microscopy (PFM) using well-defined ferroelectric materials. These results open up a way to accurate and precise measurements of surface displacement as well as piezoelectric constants at the pm-scale with nanometer spatial resolution and will allow avoiding erroneous data interpretations and measurement artifacts. Furthermore, this analysis is directly applicable to all cantilever-resonance-based scanning probe microscopy (SPM) techniques.« less

Quantification of surface displacements and electromechanical phenomena via dynamic atomic force microscopy

DOE PAGES

Balke, Nina; Jesse, Stephen; Yu, Pu; ...

2016-09-15

Detection of dynamic surface displacements associated with local changes in material strain provides access to a number of phenomena and material properties. Contact resonance-enhanced methods of atomic force microscopy (AFM) have been shown capable of detecting ~1–3 pm-level surface displacements, an approach used in techniques such as piezoresponse force microscopy, atomic force acoustic microscopy, and ultrasonic force microscopy. Here, based on an analytical model of AFM cantilever vibrations, we demonstrate a guideline to quantify surface displacements with high accuracy by taking into account the cantilever shape at the first resonant contact mode, depending on the tip–sample contact stiffness. The approachmore » has been experimentally verified and further developed for piezoresponse force microscopy (PFM) using well-defined ferroelectric materials. These results open up a way to accurate and precise measurements of surface displacement as well as piezoelectric constants at the pm-scale with nanometer spatial resolution and will allow avoiding erroneous data interpretations and measurement artifacts. Furthermore, this analysis is directly applicable to all cantilever-resonance-based scanning probe microscopy (SPM) techniques.« less

Evapotranspiration Cycles in a High Latitude Agroecosystem: Potential Warming Role

PubMed Central

Ruairuen, Watcharee

2015-01-01

As the acreages of agricultural lands increase, changes in surface energetics and evapotranspiration (ET) rates may arise consequently affecting regional climate regimes. The objective of this study was to evaluate summertime ET dynamics and surface energy processes in a subarctic agricultural farm in Interior Alaska. The study includes micrometeorological and hydrological data. Results covering the period from June to September 2012 and 2013 indicated consistent energy fractions: LE/R net (67%), G/R net (6%), H/R net (27%) where LE is latent heat flux, R net is the surface net radiation, G is ground heat flux and H is the sensible heat flux. Additionally actual surface evapotranspiration from potential evaporation was found to be in the range of 59 to 66%. After comparing these rates with those of most prominent high latitude ecosystems it is argued here that if agroecosystem in high latitudes become an emerging feature in the land-use, the regional surface energy balance will significantly shift in comparison to existing Arctic natural ecosystems. PMID:26368123

Evapotranspiration Cycles in a High Latitude Agroecosystem: Potential Warming Role.

PubMed

Ruairuen, Watcharee; Fochesatto, Gilberto J; Sparrow, Elena B; Schnabel, William; Zhang, Mingchu; Kim, Yongwon

2015-01-01

As the acreages of agricultural lands increase, changes in surface energetics and evapotranspiration (ET) rates may arise consequently affecting regional climate regimes. The objective of this study was to evaluate summertime ET dynamics and surface energy processes in a subarctic agricultural farm in Interior Alaska. The study includes micrometeorological and hydrological data. Results covering the period from June to September 2012 and 2013 indicated consistent energy fractions: LE/Rnet (67%), G/Rnet (6%), H/Rnet (27%) where LE is latent heat flux, Rnet is the surface net radiation, G is ground heat flux and H is the sensible heat flux. Additionally actual surface evapotranspiration from potential evaporation was found to be in the range of 59 to 66%. After comparing these rates with those of most prominent high latitude ecosystems it is argued here that if agroecosystem in high latitudes become an emerging feature in the land-use, the regional surface energy balance will significantly shift in comparison to existing Arctic natural ecosystems.

Searching for protein binding sites from Molecular Dynamics simulations and paramagnetic fragment-based NMR studies.

PubMed

Bernini, Andrea; Henrici De Angelis, Lucia; Morandi, Edoardo; Spiga, Ottavia; Santucci, Annalisa; Assfalg, Michael; Molinari, Henriette; Pillozzi, Serena; Arcangeli, Annarosa; Niccolai, Neri

2014-03-01

Hotspot delineation on protein surfaces represents a fundamental step for targeting protein-protein interfaces. Disruptors of protein-protein interactions can be designed provided that the sterical features of binding pockets, including the transient ones, can be defined. Molecular Dynamics, MD, simulations have been used as a reliable framework for identifying transient pocket openings on the protein surface. Accessible surface area and intramolecular H-bond involvement of protein backbone amides are proposed as descriptors for characterizing binding pocket occurrence and evolution along MD trajectories. TEMPOL induced paramagnetic perturbations on (1)H-(15)N HSQC signals of protein backbone amides have been analyzed as a fragment-based search for surface hotspots, in order to validate MD predicted pockets. This procedure has been applied to CXCL12, a small chemokine responsible for tumor progression and proliferation. From combined analysis of MD data and paramagnetic profiles, two CXCL12 sites suitable for the binding of small molecules were identified. One of these sites is the already well characterized CXCL12 region involved in the binding to CXCR4 receptor. The other one is a transient pocket predicted by Molecular Dynamics simulations, which could not be observed from static analysis of CXCL12 PDB structures. The present results indicate how TEMPOL, instrumental in identifying this transient pocket, can be a powerful tool to delineate minor conformations which can be highly relevant in dynamic discovery of antitumoral drugs. Copyright © 2013 Elsevier B.V. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

Dynamic Asphaltene-Stearic Acid Competition at the Oil-Water Interface.

PubMed

Sauerer, Bastian; Stukan, Mikhail; Buiting, Jan; Abdallah, Wael; Andersen, Simon

2018-05-15

Interfacial tension (IFT) is one of the major parameters which govern the fluid flow in oil production and recovery. This paper investigates the interfacial activity of different natural surfactants found in crude oil. The main objective was to better understand the competition between carboxylic acids and asphaltenes on toluene/water interfaces. Dynamic IFT was measured for water-in-oil pendant drops contrary to most studies using oil-in-water drops. Stearic acid (SA) was used as model compound for surface-active carboxylic acids in crude. The influence of concentration of these species on dynamic IFT between model oil and deionized water was examined. The acid concentrations were of realistic values (total acid number 0.1 to 2 mg KOH/g oil) while asphaltene concentrations were low and set between 10 and 100 ppm. In mixtures, the initial surface pressure was entirely determined by the SA content while asphaltenes showed a slow initial diffusion to the interface followed by increased adsorption at longer times. The final surface pressure was higher for asphaltenes compared to SA, but for binaries, the final surface pressure was always lower than the sum of the individuals. At high SA concentration, surface pressures of mixtures were dominated entirely by the SA, although, Langmuir isotherm analysis shows that asphaltenes bind to the interface 200-250 times stronger than SA. The surface area/molecule for both SA and asphaltenes were found to be larger than the values reported in recent literature. Various approaches to dynamic surface adsorption were tested, showing that apparent diffusivity of asphaltenes is very low, in agreement with other works. Hence, the adsorption is apparently under barrier control. A possible hypothesis is that at the initial phase of the experiment and at lower concentration of asphaltenes, the interface is occupied by stearic acid molecules forming a dense layer of hydrocarbon chains that may repel the asphaltenes.

Hydrogen storage in engineered carbon nanospaces.

PubMed

Burress, Jacob; Kraus, Michael; Beckner, Matt; Cepel, Raina; Suppes, Galen; Wexler, Carlos; Pfeifer, Peter

2009-05-20

It is shown how appropriately engineered nanoporous carbons provide materials for reversible hydrogen storage, based on physisorption, with exceptional storage capacities (approximately 80 g H2/kg carbon, approximately 50 g H2/liter carbon, at 50 bar and 77 K). Nanopores generate high storage capacities (a) by having high surface area to volume ratios, and (b) by hosting deep potential wells through overlapping substrate potentials from opposite pore walls, giving rise to a binding energy nearly twice the binding energy in wide pores. Experimental case studies are presented with surface areas as high as 3100 m(2) g(-1), in which 40% of all surface sites reside in pores of width approximately 0.7 nm and binding energy approximately 9 kJ mol(-1), and 60% of sites in pores of width>1.0 nm and binding energy approximately 5 kJ mol(-1). The findings, including the prevalence of just two distinct binding energies, are in excellent agreement with results from molecular dynamics simulations. It is also shown, from statistical mechanical models, that one can experimentally distinguish between the situation in which molecules do (mobile adsorption) and do not (localized adsorption) move parallel to the surface, how such lateral dynamics affects the hydrogen storage capacity, and how the two situations are controlled by the vibrational frequencies of adsorbed hydrogen molecules parallel and perpendicular to the surface: in the samples presented, adsorption is mobile at 293 K, and localized at 77 K. These findings make a strong case for it being possible to significantly increase hydrogen storage capacities in nanoporous carbons by suitable engineering of the nanopore space.

Development of high-productivity, strong cation-exchange adsorbers for protein capture by graft polymerization from membranes with different pore sizes

PubMed Central

Chenette, Heather C.S.; Robinson, Julie R.; Hobley, Eboni; Husson, Scott M.

2012-01-01

This paper describes the surface modification of macroporous membranes using ATRP (atom transfer radical polymerization) to create cation-exchange adsorbers with high protein binding capacity at high product throughput. The work is motivated by the need for a more economical and rapid capture step in downstream processing of protein therapeutics. Membranes with three reported nominal pore sizes (0.2, 0.45, 1.0 μm) were modified with poly(3-sulfopropyl methacrylate, potassium salt) tentacles, to create a high density of protein binding sites. A special formulation was used in which the monomer was protected by a crown ether to enable surface-initiated ATRP of this cationic polyelectrolyte. Success with modification was supported by chemical analysis using Fourier-transform infrared spectroscopy and indirectly by measurement of pure water flux as a function of polymerization time. Uniformity of modification within the membranes was visualized with confocal laser scanning microscopy. Static and dynamic binding capacities were measured using lysozyme protein to allow comparisons with reported performance data for commercial cation-exchange materials. Dynamic binding capacities were measured for flow rates ranging from 13 to 109 column volumes (CV)/min. Results show that this unique ATRP formulation can be used to fabricate cation-exchange membrane adsorbers with dynamic binding capacities as high as 70 mg/mL at a throughput of 100 CV/min and unprecedented productivity of 300 mg/mL/min. PMID:23175597

Flow Mode Dependent Partitioning Processes of Preferential Flow Dynamics in Unsaturated Fractures - Findings From Analogue Percolation Experiments

NASA Astrophysics Data System (ADS)

Kordilla, J.; Noffz, T.; Dentz, M.; Sauter, M.

2017-12-01

To assess the vulnerability of an aquifer system it is of utmost importance to recognize the high potential for a rapid mass transport offered by ow through unsaturated fracture networks. Numerical models have to reproduce complex effects of gravity-driven flow dynamics to generate accurate predictions of flow and transport. However, the non-linear characteristics of free surface flow dynamics and partitioning behaviour at unsaturated fracture intersections often exceed the capacity of classical volume-effective modelling approaches. Laboratory experiments that manage to isolate single aspects of the mass partitioning process can enhance the understanding of underlying dynamics, which ultimately influence travel time distributions on multiple scales. Our analogue fracture network consists of synthetic cubes with dimensions of 20 x 20 x 20 cm creating simple geometries of a single or a cascade of consecutive horizontal fractures. Gravity-driven free surface flow (droplets; rivulets) is established via a high precision multichannel dispenser at flow rates ranging from 1.5 to 4.5 ml/min. Single-inlet experiments show the influence of variable flow rate, atmospheric pressure and temperature on the stability of flow modes and allow to delineate a droplet and rivulet regime. The transition between these regimes exhibits mixed flow characteristics. In addition, multi-inlet setups with constant total infow rates decrease the variance induced by erratic free-surface flow dynamics. We investigate the impacts of variable aperture widths, horizontal offsets of vertical fracture surfaces, and alternating injection methods for both flow regimes. Normalized fracture inflow rates allow to demonstrate and compare the effects of variable geometric features. Firstly, the fracture filling can be described by plug flow. At later stages it transitions into a Washburn-type flow, which we compare to an analytical solution for the case of rivulet flow. Observations show a considerably higher bypass effciency of droplet flow. This behaviour may not be recovered by plug flow but also transitions into a Washburn stage. Furthermore, we study the effect of additional cubes, i.e. increasing amount of horizontal fractures, on the bulk arrival times and associated importance of flow mode dependent partitioning processes.

High-frequency polarization dynamics in spin-lasers: pushing the limits

NASA Astrophysics Data System (ADS)

Gerhardt, Nils C.; Lindemann, Markus; Pusch, Tobias; Michalzik, Rainer; Hofmann, Martin R.

2017-09-01

While the high-frequency performance of conventional lasers is limited by the coupled carrier-photon dynamics, spin-polarized lasers have a high potential to overcome this limitation and to push the direct modulation bandwidth beyond 100 GHz. The key is to utilize the ultrafast polarization dynamics in spin-polarized vertical cavity surface-emitting lasers (spin-VCSELs) which is decoupled from the intensity dynamics and its fundamental limitations. The polarization dynamics in such devices, characterized by the polarization oscillation resonance frequency, is mainly determined by the amount of birefringence in the cavity. Using an approach for manipulating the birefringence via mechanical strain we were able to increase the polarization dynamics to resonance frequencies of more than 40 GHz. Up to now these values are only limited by the setup to induce birefringence and do not reflect any fundamental limitations. Taking our record results for the birefringence-induced mode splitting of more than 250 GHz into account, the concept has the potential to provide polarization modulation in spin-VCSELs with modulation frequencies far beyond 100 GHz. This makes them ideal devices for next-generation fast optical interconnects. In this paper we present experimental results for ultrafast polarization dynamics up to 50 GHz and compare them to numerical simulations.

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

NASA Astrophysics Data System (ADS)

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

2018-07-01

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

Coupling physics and biogeochemistry thanks to high-resolution observations of the phytoplankton community structure in the northwestern Mediterranean Sea

NASA Astrophysics Data System (ADS)

Marrec, Pierre; Grégori, Gérald; Doglioli, Andrea M.; Dugenne, Mathilde; Della Penna, Alice; Bhairy, Nagib; Cariou, Thierry; Hélias Nunige, Sandra; Lahbib, Soumaya; Rougier, Gilles; Wagener, Thibaut; Thyssen, Melilotus

2018-03-01

Fine-scale physical structures and ocean dynamics strongly influence and regulate biogeochemical and ecological processes. These processes are particularly challenging to describe and understand because of their ephemeral nature. The OSCAHR (Observing Submesoscale Coupling At High Resolution) campaign was conducted in fall 2015 in which a fine-scale structure (1-10 km/1-10 days) in the northwestern Mediterranean Ligurian subbasin was pre-identified using both satellite and numerical modeling data. Along the ship track, various variables were measured at the surface (temperature, salinity, chlorophyll a and nutrient concentrations) with ADCP current velocity. We also deployed a new model of the CytoSense automated flow cytometer (AFCM) optimized for small and dim cells, for near real-time characterization of the surface phytoplankton community structure of surface waters with a spatial resolution of a few kilometers and an hourly temporal resolution. For the first time with this optimized version of the AFCM, we were able to fully resolve Prochlorococcus picocyanobacteria in addition to the easily distinguishable Synechococcus. The vertical physical dynamics and biogeochemical properties of the studied area were investigated by continuous high-resolution CTD profiles thanks to a moving vessel profiler (MVP) during the vessel underway associated with a high-resolution pumping system deployed during fixed stations allowing sampling of the water column at a fine resolution (below 1 m). The observed fine-scale feature presented a cyclonic structure with a relatively cold core surrounded by warmer waters. Surface waters were totally depleted in nitrate and phosphate. In addition to the doming of the isopycnals by the cyclonic circulation, an intense wind event induced Ekman pumping. The upwelled subsurface cold nutrient-rich water fertilized surface waters and was marked by an increase in Chl a concentration. Prochlorococcus and pico- and nano-eukaryotes were more abundant in cold core waters, while Synechococcus dominated in warm boundary waters. Nanoeukaryotes were the main contributors ( > 50 %) in terms of pigment content (red fluorescence) and biomass. Biological observations based on the mean cell's red fluorescence recorded by AFCM combined with physical properties of surface waters suggest a distinct origin for two warm boundary waters. Finally, the application of a matrix growth population model based on high-frequency AFCM measurements in warm boundary surface waters provides estimates of in situ growth rate and apparent net primary production for Prochlorococcus (μ = 0.21 d-1, NPP = 0.11 mg C m-3 d-1) and Synechococcus (μ = 0.72 d-1, NPP = 2.68 mg C m-3 d-1), which corroborate their opposite surface distribution pattern. The innovative adaptive strategy applied during OSCAHR with a combination of several multidisciplinary and complementary approaches involving high-resolution in situ observations and sampling, remote-sensing and model simulations provided a deeper understanding of the marine biogeochemical dynamics through the first trophic levels.

The role of nonbonded interactions in the conformational dynamics of organophosphorous hydrolase adsorbed onto functionalized mesoporous silica surfaces.

PubMed

Gomes, Diego E B; Lins, Roberto D; Pascutti, Pedro G; Lei, Chenghong; Soares, Thereza A

2010-01-14

The enzyme organophosphorous hydrolase (OPH) catalyzes the hydrolysis of a wide variety of organophosphorous compounds with high catalytic efficiency and broad substrate specificity. The immobilization of OPH in functionalized mesoporous silica (FMS) surfaces increases significantly its catalytic specific activity, as compared to the enzyme in solution, with important applications for the detection and decontamination of insecticides and chemical warfare agents. Experimental measurements of immobilization efficiency as a function of the charge and coverage percentage of different functional groups have been interpreted as electrostatic forces being the predominant interactions underlying the adsorption of OPH onto FMS surfaces. Explicit solvent molecular dynamics simulations have been performed for OPH in bulk solution and adsorbed onto two distinct interaction potential models of the FMS functional groups to investigate the relative contributions of nonbonded interactions to the conformational dynamics and adsorption of the protein. Our results support the conclusion that electrostatic interactions are responsible for the binding of OPH to the FMS surface. However, these results also show that van der Waals forces are detrimental for interfacial adhesion. In addition, it is found that OPH adsorption onto the FMS models favors a protein conformation whose active site is fully accessible to the substrate, in contrast to the unconfined protein.

Superhydrophobicity to minimize thrombogenic risk on mechanical heart valves

NASA Astrophysics Data System (ADS)

Bark, David; Vahabi, Hamed; Movafaghi, Sanli; Popat, Ketul; Kota, Arun K.; Dasi, Lakshmi Prasad

2017-11-01

A large number of prosthetic heart valves are implanted each year to treat heart valve disease, where half of the surgically replaced valves are mechanical heart valves (MHV)s. MHVs are at high risk for thrombosis and therefore require lifelong antithrombotic therapies, causing an increased bleeding risk that can lead to death. To alleviate this need, we investigate the potential of superhydrophobic surfaces in reducing the thrombotic risk. Particle imaging velocimetry and computational fluid dynamics are used to quantify shear stress in the presence of potential slip on the surface. Coagulation and cell adhesion are quantified by incubating blood under static conditions. We further evaluate a dynamic blood response in polydimethylsiloxane channels under complex shear conditions that mimic the hinge region of bileaflet mechanical heart valves, a region known to exhibit thrombosis. Overall, Shear stress is not reduced on a superhydrophobic bileaflet MHV. However, superhydrophobic surfaces significantly reduce the potential for platelet responses under static and dynamic blood flow conditions, a counterintuitive result when considering that hydrophobic surfaces are prone to protein and cell adhesion. The authors gratefully acknowledge funding from National Institutes of Health (NIH) under Award Number R01HL119824 and F32HL129730. The content is solely the responsibility of the authors and does not necessarily represent the official views of the NIH.

A dynamic monitoring approach for the surface morphology evolution measurement of plasma facing components by means of speckle interferometry

NASA Astrophysics Data System (ADS)

Wang, Hongbei; Cui, Xiaoqian; Feng, Chunlei; Li, Yuanbo; Zhao, Mengge; Luo, Guangnan; Ding, Hongbin

2017-11-01

Plasma Facing Components (PFCs) in a magnetically confined fusion plasma device will be exposed to high heat load and particle fluxes, and it would cause PFCs' surface morphology to change due to material erosion and redeposition from plasma wall interactions. The state of PFCs' surface condition will seriously affect the performance of long-pulse or steady state plasma discharge in a tokamak; it will even constitute an enormous threat to the operation and the safety of fusion plasma devices. The PFCs' surface morphology evolution measurement could provide important information about PFCs' real-time status or damage situation and it would help to a better understanding of the plasma wall interaction process and mechanism. Meanwhile through monitoring the distribution of dust deposition in a tokamak and providing an upper limit on the amount of loose dust, the PFCs' surface morphology measurement could indirectly contribute to keep fusion operational limits and fusion device safety. Aiming at in situ dynamic monitoring PFCs' surface morphology evolution, a laboratory experimental platform DUT-SIEP (Dalian University of Technology-speckle interferometry experimental platform) based on the speckle interferometry technique has been constructed at Dalian University of Technology (DUT) in China. With directional specific designing and focusing on the real detection condition of EAST (Experimental Advanced Superconducting Tokamak), the DUT-SIEP could realize a variable measurement range, widely increased from 0.1 μm to 300 μm, with high spatial resolution (<1 mm) and ultra-high time resolution (<2 s for EAST measuring conditions). Three main components of the DUT-SIEP are all integrated and synchronized by a time schedule control and data acquisition terminal and coupled with a three-dimensional phase unwrapping algorithm, the surface morphology information of target samples can be obtained and reconstructed in real-time. A local surface morphology of the real divertor tiles adopted from EAST has been measured, and the feasibility and reliability of this new experimental platform have been demonstrated.

Molecular-level characterization of the structure and the surface chemistry of periodic mesoporous organosilicates using DNP-surface enhanced NMR spectroscopy.

PubMed

Grüning, Wolfram R; Rossini, Aaron J; Zagdoun, Alexandre; Gajan, David; Lesage, Anne; Emsley, Lyndon; Copéret, Christophe

2013-08-28

We present the molecular level characterization of a phenylpyridine-based periodic mesoporous organosilicate and its post-functionalized organometallic derivatives through the fast acquisition of high quality natural isotopic abundance 1D (13)C, (15)N, and (29)Si and 2D (1)H-(13)C and (1)H-(29)Si solid-state NMR spectra enhanced with dynamic nuclear polarization.

Catalytic reaction processes revealed by scanning probe microscopy. [corrected].

PubMed

Jiang, Peng; Bao, Xinhe; Salmeron, Miquel

2015-05-19

Heterogeneous catalysis is of great importance for modern society. About 80% of the chemicals are produced by catalytic reactions. Green energy production and utilization as well as environmental protection also need efficient catalysts. Understanding the reaction mechanisms is crucial to improve the existing catalysts and develop new ones with better activity, selectivity, and stability. Three components are involved in one catalytic reaction: reactant, product, and catalyst. The catalytic reaction process consists of a series of elementary steps: adsorption, diffusion, reaction, and desorption. During reaction, the catalyst surface can change at the atomic level, with roughening, sintering, and segregation processes occurring dynamically in response to the reaction conditions. Therefore, it is imperative to obtain atomic-scale information for understanding catalytic reactions. Scanning probe microscopy (SPM) is a very appropriate tool for catalytic research at the atomic scale because of its unique atomic-resolution capability. A distinguishing feature of SPM, compared to other surface characterization techniques, such as X-ray photoelectron spectroscopy, is that there is no intrinsic limitation for SPM to work under realistic reaction conditions (usually high temperature and high pressure). Therefore, since it was introduced in 1981, scanning tunneling microscopy (STM) has been widely used to investigate the adsorption, diffusion, reaction, and desorption processes on solid catalyst surfaces at the atomic level. STM can also monitor dynamic changes of catalyst surfaces during reactions. These invaluable microscopic insights have not only deepened the understanding of catalytic processes, but also provided important guidance for the development of new catalysts. This Account will focus on elementary reaction processes revealed by SPM. First, we will demonstrate the power of SPM to investigate the adsorption and diffusion process of reactants on catalyst surfaces at the atomic level. Then the dynamic processes, including surface reconstruction, roughening, sintering, and phase separation, studied by SPM will be discussed. Furthermore, SPM provides valuable insights toward identifying the active sites and understanding the reaction mechanisms. We also illustrate here how both ultrahigh vacuum STM and high pressure STM provide valuable information, expanding the understanding provided by traditional surface science. We conclude with highlighting remarkable recent progress in noncontact atomic force microscopy (NC-AFM) and inelastic electron tunneling spectroscopy (IETS), and their impact on single-chemical-bond level characterization for catalytic reaction processes in the future.

Layered Model for Radiation-Induced Chemical Evolution of Icy Surface Composition and Dynamics on Kuiper Belt and Oort Cloud Bodies

NASA Technical Reports Server (NTRS)

Cooper, John F.; Richardson, John D.

2010-01-01

The diversity of albedos and surface colors on observed Kuiper Belt and Inner Oort Cloud objects remains to be explained in terms of competition between primordial intrinsic versus exogenic drivers of surface and near-surface evolution. Earlier models have attempted without success to attribute this diversity to the relations between surface radiolysis from cosmic ray irradiation and gardening by meteoritic impacts. A more flexible approach considers the different depth-dependent radiation profiles produced by low-energy plasma, suprathermal, and maximally penetrating charged particles of the heliospheric and local interstellar radiation environment. Generally red objects of the dynamically cold (low inclination, circular orbit) Classical Kuiper Belt might be accounted for from erosive effects of plasma ions and reddening effects of high energy cosmic ray ions, while suprathermal keV-MeV ions could alternatively produce more color neutral surfaces. The deepest layer of more pristine ice can be brought to the surface from meter to kilometer depths by larger impact events and potentially by cryovolcanic activity. The bright surfaces of some larger objects, e.g. Eris, suggest ongoing resurfacing activity. Cycles of atmospheric formation and surface freezeout can further account for temporal variation as observed on Pluto. The diversity of causative processes must therefore be understood to account for observationally apparent diversities of the object surfaces.

In Situ Scanning Tunneling Microscopy Topography Changes of Gold (111) in Aqueous Sulfuric Acid Produced by Electrochemical Surface Oxidation and Reduction and Relaxation Phenomena

NASA Astrophysics Data System (ADS)

Pasquale, M. A.; Nieto, F. J. Rodríguez; Arvia, A. J.

The electrochemical formation and reduction of O-layers on gold (111) films in 1 m sulfuric acid under different potentiodynamic routines are investigated utilizing in situ scanning tunneling microscopy. The surface dynamics is interpreted considering the anodic and cathodic reaction pathways recently proposed complemented with concurrent relaxation phenomena occurring after gold (111) lattice mild disruption (one gold atom deep) and moderate disruption (several atoms deep). The dynamics of both oxidized and reduced gold topographies depends on the potentiodynamic routine utilized to form OH/O surface species. The topography resulting from a mild oxidative disruption is dominated by quasi-2D holes and hillocks of the order of 5 nm, involving about 500-600 gold atoms each, and their coalescence. A cooperative turnover process at the O-layer, in which the anion ad-layer and interfacial water play a key role, determines the oxidized surface topography. The reduction of these O-layers results in gold clusters, their features depending on the applied potential routine. A moderate oxidative disruption produces a surface topography of hillocks and holes several gold atoms high and deep, respectively. The subsequent reduction leads to a spinodal gold pattern. Concurrent coalescence appears to be the result of an Ostwald ripening that involves the surface diffusion of both gold atoms and clusters. These processes produce an increase in surface roughness and an incipient gold faceting. The dynamics of different topographies can be qualitatively explained employing the arguments from colloidal science theory. For 1.1 V ≤ E ≅ Epzc weak electrostatic repulsions favor gold atom/cluster coalescence, whereas for E < Epzc the attenuated electrostatic repulsions among gold surfaces stabilize small clusters over the substrate producing string-like patterns.

Computations of Lifshitz-van der Waals interaction energies between irregular particles and surfaces at all separations for resuspension modelling

NASA Astrophysics Data System (ADS)

Priye, Aashish; Marlow, William H.

2013-10-01

The phenomenon of particle resuspension plays a vital role in numerous fields. Among many aspects of particle resuspension dynamics, a dominant concern is the accurate description and formulation of the van der Waals (vdW) interactions between the particle and substrate. Current models treat adhesion by incorporating a material-dependent Hamaker's constant which relies on the heuristic Hamaker's two-body interactions. However, this assumption of pairwise summation of interaction energies can lead to significant errors in condensed matter as it does not take into account the many-body interaction and retardation effects. To address these issues, an approach based on Lifshitz continuum theory of vdW interactions has been developed to calculate the principal many-body interactions between arbitrary geometries at all separation distances to a high degree of accuracy through Lifshitz's theory. We have applied this numerical implementation to calculate the many-body vdW interactions between spherical particles and surfaces with sinusoidally varying roughness profile and also to non-spherical particles (cubes, cylinders, tetrahedron etc) orientated differently with respect to the surface. Our calculations revealed that increasing the surface roughness amplitude decreases the adhesion force and non-spherical particles adhere to the surfaces more strongly when their flatter sides are oriented towards the surface. Such practical shapes and structures of particle-surface systems have not been previously considered in resuspension models and this rigorous treatment of vdW interactions provides more realistic adhesion forces between the particle and the surface which can then be coupled with computational fluid dynamics models to improve the predictive capabilities of particle resuspension dynamics.

Modeling topology formation during laser ablation

NASA Astrophysics Data System (ADS)

Hodapp, T. W.; Fleming, P. R.

1998-07-01

Micromachining high aspect-ratio structures can be accomplished through ablation of surfaces with high-powered lasers. Industrial manufacturers now use these methods to form complex and regular surfaces at the 10-1000 μm feature size range. Despite its increasingly wide acceptance on the manufacturing floor, the underlying photochemistry of the ablation mechanism, and hence the dynamics of the machining process, is still a question of considerable debate. We have constructed a computer model to investigate and predict the topological formation of ablated structures. Qualitative as well as quantitative agreement with excimer-laser machined polyimide substrates has been demonstrated. This model provides insights into the drilling process for high-aspect-ratio holes.

Quantifying Subsurface Water and Heat Distribution and its Linkage with Landscape Properties in Terrestrial Environment using Hydro-Thermal-Geophysical Monitoring and Coupled Inverse Modeling

NASA Astrophysics Data System (ADS)

Dafflon, B.; Tran, A. P.; Wainwright, H. M.; Hubbard, S. S.; Peterson, J.; Ulrich, C.; Williams, K. H.

2015-12-01

Quantifying water and heat fluxes in the subsurface is crucial for managing water resources and for understanding the terrestrial ecosystem where hydrological properties drive a variety of biogeochemical processes across a large range of spatial and temporal scales. Here, we present the development of an advanced monitoring strategy where hydro-thermal-geophysical datasets are continuously acquired and further involved in a novel inverse modeling framework to estimate the hydraulic and thermal parameter that control heat and water dynamics in the subsurface and further influence surface processes such as evapotranspiration and vegetation growth. The measured and estimated soil properties are also used to investigate co-interaction between subsurface and surface dynamics by using above-ground aerial imaging. The value of this approach is demonstrated at two different sites, one in the polygonal shaped Arctic tundra where water and heat dynamics have a strong impact on freeze-thaw processes, vegetation and biogeochemical processes, and one in a floodplain along the Colorado River where hydrological fluxes between compartments of the system (surface, vadose zone and groundwater) drive biogeochemical transformations. Results show that the developed strategy using geophysical, point-scale and aerial measurements is successful to delineate the spatial distribution of hydrostratigraphic units having distinct physicochemical properties, to monitor and quantify in high resolution water and heat distribution and its linkage with vegetation, geomorphology and weather conditions, and to estimate hydraulic and thermal parameters for enhanced predictions of water and heat fluxes as well as evapotranspiration. Further, in the Colorado floodplain, results document the potential presence of only periodic infiltration pulses as a key hot moment controlling soil hydro and biogeochemical functioning. In the arctic, results show the strong linkage between soil water content, thermal parameters, thaw layer thickness and vegetation distribution. Overall, results of these efforts demonstrate the value of coupling various datasets at high spatial and temporal resolution to improve predictive understanding of subsurface and surface dynamics.

SDVSRM - a new SSRM based technique featuring dynamically adjusted, scanner synchronized sample voltages for measurement of actively operated devices.

PubMed

Doering, Stefan; Wachowiak, Andre; Roetz, Hagen; Eckl, Stefan; Mikolajick, Thomas

2018-06-01

Scanning spreading resistance microscopy (SSRM) with its high spatial resolution and high dynamic signal range is a powerful tool for two-dimensional characterization of semiconductor dopant areas. However, the application of the method is limited to devices in equilibrium condition, as the investigation of actively operated devices would imply potential differences within the device, whereas SSRM relies on a constant voltage difference between sample surface and probe tip. Furthermore, the standard preparation includes short circuiting of all device components, limiting applications to devices in equilibrium condition. In this work scanning dynamic voltage spreading resistance microscopy (SDVSRM), a new SSRM based two pass atomic force microscopy (AFM) technique is introduced, overcoming these limitations. Instead of short circuiting the samples during preparation, wire bond devices are used allowing for active control of the individual device components. SDVSRM consists of two passes. In the first pass the local sample surface voltage dependent on the dc biases applied to the components of the actively driven device is measured as in scanning voltage microscopy (SVM). The local spreading resistance is measured within the second pass, in which the afore obtained local surface voltage is used to dynamically adjust the terminal voltages of the device under test. This is done in a way that the local potential difference across the nano-electrical contact matches the software set SSRM measurement voltage, and at the same time, the internal voltage differences within the device under test are maintained. In this work the proof of the concept could be demonstrated by obtaining spreading resistance data of an actively driven photodiode test device. SDVSRM adds a higher level of flexibility in general to SSRM, as occurring differences in cross section surface voltage are taken into account. These differences are immanent for actively driven devices, but can also be present at standard, short circuited samples. Therefore, SDVSRM could improve the characterization under equilibrium conditions as well. Copyright © 2018. Published by Elsevier B.V.

Droplet-surface Impingement Dynamics for Intelligent Spray Design

NASA Technical Reports Server (NTRS)

VanderWal, Randy L.; Kizito, John P.; Tryggvason, Gretar; Berger, Gordon M.; Mozes, Steven D.

2004-01-01

Spray cooling has high potential in thermal management and life support systems by overcoming the deleterious effect of microgravity upon two-phase heat transfer. In particular spray cooling offers several advantages in heat flux removal that include the following: 1. By maintaining a wetted surface, spray droplets impinge upon a thin fluid film rather than a dry solid surface 2. Most heat transfer surfaces will not be smooth but rough. Roughness can enhance conductive cooling, aid liquid removal by flow channeling. 3. Spray momentum can be used to a) substitute for gravity delivering fluid to the surface, b) prevent local dryout and potential thermal runaway and c) facilitate liquid and vapor removal. Yet high momentum results in high We and Re numbers characterizing the individual spray droplets. Beyond an impingement threshold, droplets splash rather than spread. Heat flux declines and spray cooling efficiency can markedly decrease. Accordingly we are investigating droplet impingement upon a) dry solid surfaces, b) fluid films, c) rough surfaces and determining splashing thresholds and relationships for both dry surfaces and those covered by fluid films. We are presently developing engineering correlations delineating the boundary between splashing and non-splashing regions.

Automatic Detection of Changes on Mars Surface from High-Resolution Orbital Images

NASA Astrophysics Data System (ADS)

Sidiropoulos, Panagiotis; Muller, Jan-Peter

2017-04-01

Over the last 40 years Mars has been extensively mapped by several NASA and ESA orbital missions, generating a large image dataset comprised of approximately 500,000 high-resolution images (of <100m resolution). The overall area mapped from orbital imagery is approximately 6 times the overall surface of Mars [1]. The multi-temporal coverage of Martian surface allows a visual inspection of the surface to identify dynamic phenomena, i.e. surface features that change over time, such as slope streaks [2], recurring slope lineae [3], new impact craters [4], etc. However, visual inspection for change detection is a limited approach, since it requires extensive use of human resources, which is very difficult to achieve when dealing with a rapidly increasing volume of data. Although citizen science can be employed for training and verification it is unsuitable for planetwide systematic change detection. In this work, we introduce a novel approach in planetary image change detection, which involves a batch-mode automatic change detection pipeline that identifies regions that have changed. This is tested in anger, on tens of thousands of high-resolution images over the MC11 quadrangle [5], acquired by CTX, HRSC, THEMIS-VIS and MOC-NA instruments [1]. We will present results which indicate a substantial level of activity in this region of Mars, including instances of dynamic natural phenomena that haven't been cataloged in the planetary science literature before. We will demonstrate the potential and usefulness of such an automatic approach in planetary science change detection. Acknowledgments: The research leading to these results has received funding from the STFC "MSSL Consolidated Grant" ST/K000977/1 and partial support from the European Union's Seventh Framework Programme (FP7/2007-2013) under iMars grant agreement n° 607379. References: [1] P. Sidiropoulos and J. - P. Muller (2015) On the status of orbital high-resolution repeat imaging of Mars for the observation of dynamic surface processes. Planetary and Space Science, 117: 207-222. [2] O. Aharonson, et al. (2003) Slope streak formation and dust deposition rates on Mars. Journal of Geophysical Research: Planets, 108(E12):5138 [3] A. McEwen, et al. (2011) Seasonal flows on warm martian slopes. Science, 333 (6043): 740-743. [4] S. Byrne, et al. (2009) Distribution of mid-latitude ground ice on mars from new impact craters. Science, 325(5948):1674-1676. [5] K. Gwinner, et al (2016) The High Resolution Stereo Camera (HRSC) of Mars Express and its approach to science analysis and mapping for Mars and its satellites. Planetary and Space Science, 126: 93-138.

Hot electron dynamics at semiconductor surfaces: Implications for quantum dot photovoltaics

NASA Astrophysics Data System (ADS)

Tisdale, William A., III

Finding a viable supply of clean, renewable energy is one of the most daunting challenges facing the world today. Solar cells have had limited impact in meeting this challenge because of their high cost and low power conversion efficiencies. Semiconductor nanocrystals, or quantum dots, are promising materials for use in novel solar cells because they can be processed with potentially inexpensive solution-based techniques and because they are predicted to have novel optoelectronic properties that could enable the realization of ultra-efficient solar power converters. However, there is a lack of fundamental understanding regarding the behavior of highly-excited, or "hot," charge carriers near quantum-dot and semiconductor interfaces, which is of paramount importance to the rational design of high-efficiency devices. The elucidation of these ultrafast hot electron dynamics is the central aim of this Dissertation. I present a theoretical framework for treating the electronic interactions between quantum dots and bulk semiconductor surfaces and propose a novel experimental technique, time-resolved surface second harmonic generation (TR-SHG), for probing these interactions. I then describe a series of experimental investigations into hot electron dynamics in specific quantum-dot/semiconductor systems. A two-photon photoelectron spectroscopy (2PPE) study of the technologically-relevant ZnO(1010) surface reveals ultrafast (sub-30fs) cooling of hot electrons in the bulk conduction band, which is due to strong electron-phonon coupling in this highly polar material. The presence of a continuum of defect states near the conduction band edge results in Fermi-level pinning and upward (n-type) band-bending at the (1010) surface and provides an alternate route for electronic relaxation. In monolayer films of colloidal PbSe quantum dots, chemical treatment with either hydrazine or 1,2-ethanedithiol results in strong and tunable electronic coupling between neighboring quantum dots. A TR-SHG study of these electronically-coupled quantum-dot films reveals temperature-activated cooling of hot charge carriers and coherent excitation of a previously-unidentified surface optical phonon. Finally, I report the first experimental observation of ultrafast electron transfer from the higher excited states of a colloidal quantum dot (PbSe) to delocalized conduction band states of a widely-used electron acceptor (TiO2). The electric field resulting from ultrafast (<50fs) separation of charge carriers across the PbSe/TiO2(110) interface excites coherent vibration of the TiO2 surface atoms, whose collective motions can be followed in real time.

Real-Space Imaging of Carrier Dynamics of Materials Surfaces by Second-Generation Four-Dimensional Scanning Ultrafast Electron Microscopy.

PubMed

Sun, Jingya; Melnikov, Vasily A; Khan, Jafar I; Mohammed, Omar F

2015-10-01

In the fields of photocatalysis and photovoltaics, ultrafast dynamical processes, including carrier trapping and recombination on material surfaces, are among the key factors that determine the overall energy conversion efficiency. A precise knowledge of these dynamical events on the nanometer (nm) and femtosecond (fs) scales was not accessible until recently. The only way to access such fundamental processes fully is to map the surface dynamics selectively in real space and time. In this study, we establish a second generation of four-dimensional scanning ultrafast electron microscopy (4D S-UEM) and demonstrate the ability to record time-resolved images (snapshots) of material surfaces with 650 fs and ∼5 nm temporal and spatial resolutions, respectively. In this method, the surface of a specimen is excited by a clocking optical pulse and imaged using a pulsed primary electron beam as a probe pulse, generating secondary electrons (SEs), which are emitted from the surface of the specimen in a manner that is sensitive to the local electron/hole density. This method provides direct and controllable information regarding surface dynamics. We clearly demonstrate how the surface morphology, grains, defects, and nanostructured features can significantly impact the overall dynamical processes on the surface of photoactive-materials. In addition, the ability to access two regimes of dynamical probing in a single experiment and the energy loss of SEs in semiconductor-nanoscale materials will also be discussed.

Planetary-scale surface water detection from space

NASA Astrophysics Data System (ADS)

Donchyts, G.; Baart, F.; Winsemius, H.; Gorelick, N.

2017-12-01

Accurate, efficient and high-resolution methods of surface water detection are needed for a better water management. Datasets on surface water extent and dynamics are crucial for a better understanding of natural and human-made processes, and as an input data for hydrological and hydraulic models. In spite of considerable progress in the harmonization of freely available satellite data, producing accurate and efficient higher-level surface water data products remains very challenging. This presentation will provide an overview of existing methods for surface water extent and change detection from multitemporal and multi-sensor satellite imagery. An algorithm to detect surface water changes from multi-temporal satellite imagery will be demonstrated as well as its open-source implementation (http://aqua-monitor.deltares.nl). This algorithm was used to estimate global surface water changes at high spatial resolution. These changes include climate change, land reclamation, reservoir construction/decommissioning, erosion/accretion, and many other. This presentation will demonstrate how open satellite data and open platforms such as Google Earth Engine have helped with this research.

Membrane tension controls the assembly of curvature-generating proteins

PubMed Central

Simunovic, Mijo; Voth, Gregory A.

2015-01-01

Proteins containing a Bin/Amphiphysin/Rvs (BAR) domain regulate membrane curvature in the cell. Recent simulations have revealed that BAR proteins assemble into linear aggregates, strongly affecting membrane curvature and its in-plane stress profile. Here, we explore the opposite question: do mechanical properties of the membrane impact protein association? By using coarse-grained molecular dynamics simulations, we show that increased surface tension significantly impacts the dynamics of protein assembly. While tensionless membranes promote a rapid formation of long-living linear aggregates of N-BAR proteins, increase in tension alters the geometry of protein association. At high tension, protein interactions are strongly inhibited. Increasing surface density of proteins leads to a wider range of protein association geometries, promoting the formation of meshes, which can be broken apart with membrane tension. Our work indicates that surface tension may play a key role in recruiting proteins to membrane-remodelling sites in the cell. PMID:26008710

Propagation Dynamics Associated with Resonant Magnetic Perturbation Fields in High-Confinement Mode Plasmas inside the KSTAR Tokamak.

PubMed

Xiao, W W; Evans, T E; Tynan, G R; Yoon, S W; Jeon, Y M; Ko, W H; Nam, Y U; Oh, Y K

2017-11-17

The propagation dynamics of resonant magnetic perturbation fields in KSTAR H-mode plasmas with injection of small edge perturbations produced by a supersonic molecular beam injection is reported for the first time. The results show that the perturbation field first excites a plasma response on the q=3 magnetic surface and then propagates inward to the q=2 surface with a radially averaged propagation velocity of resonant magnetic perturbations field equal to 32.5  m/ s. As a result, the perturbation field brakes the toroidal rotation on the q=3 surface first causing a momentum transport perturbation that propagates both inward and outward. A higher density fluctuation level is observed. The propagation velocity of the resonant magnetic perturbations field is larger than the radial propagation velocity of the perturbation in the toroidal rotation.

A Novel Extreme Learning Control Framework of Unmanned Surface Vehicles.

PubMed

Wang, Ning; Sun, Jing-Chao; Er, Meng Joo; Liu, Yan-Cheng

2016-05-01

In this paper, an extreme learning control (ELC) framework using the single-hidden-layer feedforward network (SLFN) with random hidden nodes for tracking an unmanned surface vehicle suffering from unknown dynamics and external disturbances is proposed. By combining tracking errors with derivatives, an error surface and transformed states are defined to encapsulate unknown dynamics and disturbances into a lumped vector field of transformed states. The lumped nonlinearity is further identified accurately by an extreme-learning-machine-based SLFN approximator which does not require a priori system knowledge nor tuning input weights. Only output weights of the SLFN need to be updated by adaptive projection-based laws derived from the Lyapunov approach. Moreover, an error compensator is incorporated to suppress approximation residuals, and thereby contributing to the robustness and global asymptotic stability of the closed-loop ELC system. Simulation studies and comprehensive comparisons demonstrate that the ELC framework achieves high accuracy in both tracking and approximation.

Dynamics of femtosecond laser-induced periodic surface structures on silicon by high spatial and temporal resolution imaging

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

Jia, X., E-mail: jiaxin@sdju.edu.cn; Department of Mathematics and Physics, Shanghai Dianji University, Shanghai 201306; Jia, T. Q., E-mail: tqjia@phy.ecnu.edu.cn

2014-04-14

The formation dynamics of periodic ripples induced by femtosecond laser pulses (pulse duration τ = 50 fs and central wavelength λ = 800 nm) are studied by a collinear pump-probe imaging technique with a temporal resolution of 1 ps and a spatial resolution of 440 nm. The ripples with periods close to the laser wavelength begin to appear upon irradiation of two pump pulses at surface defects produced by the prior one. The rudiments of periodic ripples emerge in the initial tens of picoseconds after fs laser irradiation, and the ripple positions keep unmoved until the formation processes complete mainly in a temporal span of 1500 ps. Themore » results suggest that the periodic deposition of laser energy during the interaction between femtosecond laser pulses and sample surface plays a dominant role in the formation of periodic ripples.« less

Experimental research on microhardness and wear resistances of pure Cu subjected to surface dynamic plastic deformation by ultrasonic impact

NASA Astrophysics Data System (ADS)

Chen, Zhaoxia; He, Yangming

2018-04-01

Dynamic plastic deformation (DPD) has been induced in the surface of pure Cu by ultrasonic impact treating (UIT) with the varied impact current and coverage percentage. The microstructures of the treated surface were analyzed by a scanning electron microscope (SEM). And the wear resistance of pure Cu was experimentally researched both with the treated and untreated specimens. The effect of DPD on the hardness was also investigated using microhardness tester. The results show that the grains on the top surfaces of pure Cu are highly refined. The maximum depth of the plastic deformation layer is approximately 1400 µm. The larger the current and coverage percentage, the greater of the microhardness and wear resistance the treated surface layer of pure Cu will be. When the impact current is 2 A and coverage percentage is 300%, the microhardness and wear resistance of the treated sample is about 276.1% and 68.8% higher than that of the untreated specimen, respectively. But the properties of the treated sample deteriorate when the UIT current is 3 A and the coverage percentage is 300% because of the formation of a new phase forms in the treated surface.

Tunnel flexibility effect on the ground surface acceleration response

NASA Astrophysics Data System (ADS)

Baziar, Mohammad Hassan; Moghadam, Masoud Rabeti; Choo, Yun Wook; Kim, Dong-Soo

2016-09-01

Flexibility of underground structures relative to the surrounding medium, referred to as the flexibility ratio, is an important factor that influences their dynamic interaction. This study investigates the flexibility effect of a box-shaped subway tunnel, resting directly on bedrock, on the ground surface acceleration response using a numerical model verified against dynamic centrifuge test results. A comparison of the ground surface acceleration response for tunnel models with different flexibility ratios revealed that the tunnels with different flexibility ratios influence the acceleration response at the ground surface in different ways. Tunnels with lower flexibility ratios have higher acceleration responses at short periods, whereas tunnels with higher flexibility ratios have higher acceleration responses at longer periods. The effect of the flexibility ratio on ground surface acceleration is more prominent in the high range of frequencies. Furthermore, as the flexibility ratio of the tunnel system increases, the acceleration response moves away from the free field response and shifts towards the longer periods. Therefore, the flexibility ratio of the underground tunnels influences the peak ground acceleration (PGA) at the ground surface, and may need to be considered in the seismic zonation of urban areas.

The influence of surface properties on the plasma dynamics in radio-frequency driven oxygen plasmas: Measurements and simulations

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

Greb, Arthur; Niemi, Kari; O'Connell, Deborah

2013-12-09

Plasma parameters and dynamics in capacitively coupled oxygen plasmas are investigated for different surface conditions. Metastable species concentration, electronegativity, spatial distribution of particle densities as well as the ionization dynamics are significantly influenced by the surface loss probability of metastable singlet delta oxygen (SDO). Simulated surface conditions are compared to experiments in the plasma-surface interface region using phase resolved optical emission spectroscopy. It is demonstrated how in-situ measurements of excitation features can be used to determine SDO surface loss probabilities for different surface materials.

How the Dynamics of a Supramolecular Polymer Determines Its Dynamic Adaptivity and Stimuli-Responsiveness: Structure-Dynamics-Property Relationships From Coarse-Grained Simulations.

PubMed

Torchi, Andrea; Bochicchio, Davide; Pavan, Giovanni M

2018-04-12

The rational design of supramolecular polymers that can adapt or respond in time to specific stimuli in a controlled way is interesting for many applications, but this requires understanding the molecular factors that make the material faster or slower in responding to the stimulus. To this end, it is necessary to study the dynamic adaptive properties at submolecular resolution, which is difficult at an experimental level. Here we show coarse-grained molecular dynamics simulations (<5 Å resolution) demonstrating how the dynamic adaptivity and stimuli responsiveness of a supramolecular polymer is controlled by the intrinsic dynamics of the assembly, which is in turn determined by the structure of the monomers. As a representative case, we focus on a water-soluble 1,3,5-benzenetricarboxamide (BTA) supramolecular polymer incorporating (charged) receptor monomers, experimentally seen to undergo dynamic clustering following the superselective binding to a multivalent recruiter. Our simulations show that the dynamic reorganization of the supramolecular structure proceeds via monomer diffusion on the dynamic fiber surface (exchange within the fiber). Rationally changing the structure of the monomers to make the fiber surface more or less dynamic allows tuning the rate of response to the stimulus and of supramolecular reconfiguration. Simple in silico experiments draw a structure-dynamics-property relationship revealing the key factors underpinning the dynamic adaptivity and stimuli-responsiveness of these supramolecular polymers. We come out with clear evidence that to master the bioinspired properties of these fibers, it is necessary to control their intrinsic dynamics, while the high-resolution of our molecular models permits us to show how.

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

Theoretical and experimental comparison of vapor cavitation in dynamically loaded journal bearings

NASA Astrophysics Data System (ADS)

Brewe, D. E.; Hamrock, B. J.; Jacobson, B. A.

Vapor cavitation for a submerged journal bearing under dynamically loaded conditions was investigated. The observation of vapor cavitation in the laboratory was done by high-speed photography. It was found that vapor cavitation occurs when the tensile stress applied to the oil exceeded the tensile strength of the oil or the binding of the oil to the surface. The theoretical solution to the Reynolds equation is determined numerically using a moving boundary algorithm. This algorithm conserves mass throughout the computational domain including the region of cavitation and its boundaries. An alternating direction implicit (MDI) method is used to effect the time march. A rotor undergoing circular whirl was studied. Predicted cavitation behavior was analyzed by three-dimensional computer graphic movies. The formation, growth, and collapse of the bubble in response to the dynamic conditions is shown. For the same conditions of dynamic loading, the cavitation bubble was studied in the laboratory using high-speed photography.

Theoretical and experimental comparison of vapor cavitation in dynamically loaded journal bearings

NASA Technical Reports Server (NTRS)

Brewe, D. E.; Hamrock, B. J.; Jacobson, B. A.

1985-01-01

Vapor cavitation for a submerged journal bearing under dynamically loaded conditions was investigated. The observation of vapor cavitation in the laboratory was done by high-speed photography. It was found that vapor cavitation occurs when the tensile stress applied to the oil exceeded the tensile strength of the oil or the binding of the oil to the surface. The theoretical solution to the Reynolds equation is determined numerically using a moving boundary algorithm. This algorithm conserves mass throughout the computational domain including the region of cavitation and its boundaries. An alternating direction implicit (MDI) method is used to effect the time march. A rotor undergoing circular whirl was studied. Predicted cavitation behavior was analyzed by three-dimensional computer graphic movies. The formation, growth, and collapse of the bubble in response to the dynamic conditions is shown. For the same conditions of dynamic loading, the cavitation bubble was studied in the laboratory using high-speed photography.

Dynamics of charge clouds ejected from laser-induced warm dense gold nanofilms

DOE PAGES

Zhou, Jun; Li, Junjie; Correa, Alfredo A.; ...

2014-10-24

We report the first systematic study of the ejected charge dynamics surrounding laser-produced 30-nm warm dense gold films using single-shot femtosecond electron shadow imaging and deflectometry. The results reveal a two-step dynamical process of the ejected electrons under the high pump fluence conditions: an initial emission and accumulation of a large amount of electrons near the pumped surface region followed by the formation of hemispherical clouds of electrons on both sides of the film, which are escaping into the vacuum at a nearly isotropic and constant velocity with an unusually high kinetic energy of more than 300 eV. We alsomore » developed a model of the escaping charge distribution that not only reproduces the main features of the observed charge expansion dynamics but also allows us to extract the number of ejected electrons remaining in the cloud.« less

Dynamics of charge clouds ejected from laser-induced warm dense gold nanofilms

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

Zhou, Jun; Li, Junjie; Correa, Alfredo A.

We report the first systematic study of the ejected charge dynamics surrounding laser-produced 30-nm warm dense gold films using single-shot femtosecond electron shadow imaging and deflectometry. The results reveal a two-step dynamical process of the ejected electrons under the high pump fluence conditions: an initial emission and accumulation of a large amount of electrons near the pumped surface region followed by the formation of hemispherical clouds of electrons on both sides of the film, which are escaping into the vacuum at a nearly isotropic and constant velocity with an unusually high kinetic energy of more than 300 eV. We alsomore » developed a model of the escaping charge distribution that not only reproduces the main features of the observed charge expansion dynamics but also allows us to extract the number of ejected electrons remaining in the cloud.« less

Esterified sago waste for engine oil removal in aqueous environment.

PubMed

Ngaini, Zainab; Noh, Farid; Wahi, Rafeah

2014-01-01

Agro-waste from the bark of Metroxylon sagu (sago) was studied as a low cost and effective oil sorbent in dry and aqueous environments. Sorption study was conducted using untreated sago bark (SB) and esterified sago bark (ESB) in used engine oil. Characterization study showed that esterification has successfully improved the hydrophobicity, buoyancy, surface roughness and oil sorption capacity of ESB. Sorption study revealed that water uptake of SB is higher (30 min static: 2.46 g/g, dynamic: 2.67 g/g) compared with ESB (30 min static: 0.18 g/g, dynamic: 0.14 g/g). ESB, however, showed higher oil sorption capacity in aqueous environment (30 min static: 2.30 g/g, dynamic: 2.14) compared with SB (30 min static: 0 g/g, dynamic: 0 g/g). ESB has shown great poTENTial as effective oil sorbent in aqueous environment due to its high oil sorption capacity, low water uptake and high buoyancy.

Surface water classification and monitoring using polarimetric synthetic aperture radar

NASA Astrophysics Data System (ADS)

Irwin, Katherine Elizabeth

Surface water classification using synthetic aperture radar (SAR) is an established practice for monitoring flood hazards due to the high temporal and spatial resolution it provides. Surface water change is a dynamic process that varies both spatially and temporally, and can occur on various scales resulting in significant impacts on affected areas. Small-scale flooding hazards, caused by beaver dam failure, is an example of surface water change, which can impact nearby infrastructure and ecosystems. Assessing these hazards is essential to transportation and infrastructure maintenance. With current satellite missions operating in multiple polarizations, spatio-temporal resolutions, and frequencies, a comprehensive comparison between SAR products for surface water monitoring is necessary. In this thesis, surface water extent models derived from high resolution single-polarization TerraSAR-X (TSX) data, medium resolution dual-polarization TSX data and low resolution quad-polarization RADARSAT-2 (RS-2) data are compared. There exists a compromise between acquiring SAR data with a high resolution or high information content. Multi-polarization data provides additional phase and intensity information, which makes it possible to better classify areas of flooded vegetation and wetlands. These locations are often where fluctuations in surface water occur and are essential for understanding dynamic underlying processes. However, often multi-polarized data is acquired at a low resolution, which cannot image these zones effectively. High spatial resolution, single-polarization TSX data provides the best model of open water. However, these single-polarization observations have limited information content and are affected by shadow and layover errors. This often hinders the classification of other land cover types. The dual-polarization TSX data allows for the classification of flooded vegetation, but classification is less accurate compared to the quad-polarization RS-2 data. The RS-2 data allows for the discrimination of open water, marshes/fields and forested areas. However, the RS-2 data is less applicable to small scale surface water monitoring (e.g. beaver dam failure), due to its low spatial resolution. By understanding the strengths and weaknesses of available SAR technology, an appropriate product can be chosen for a specific target application involving surface water change. This research benefits the eventual development of a space-based monitoring strategy over longer periods.

High-resolution dynamics of the spring bloom in the Gulf of Finland of the Baltic Sea

NASA Astrophysics Data System (ADS)

Lips, Inga; Rünk, Nelli; Kikas, Villu; Meerits, Aet; Lips, Urmas

2014-01-01

During the period from March to the end of May in 2009 and 2010, intensive measurements and sampling were undertaken in the Gulf of Finland. The compiled results indicate a high variability of the phytoplankton distribution both temporally and spatially. The spring bloom dynamics and heterogeneity was influenced by physical forcing, such as prevailing circulation in the surface layer and the development of stratification, including the upward and downward movement of the seasonal thermocline. The estimated ratio of nitrogen to phosphorus consumption during the growth phase of the spring bloom was close to the Redfield ratio during both springs. The maximum phytoplankton carbon biomass was observed after the depletion of inorganic nitrogen from the surface layer, which coincides with the transition in the community dominance from diatoms to dinoflagellates. Diatoms exhibited a short, well-defined period of high biomass, and we argue that measurements with low temporal resolution can overlook this period of diatom dominance in the Gulf of Finland. The observed dominance of dinoflagellates (Peridiniella catenata and the Scrippsiella/Biecheleria complex) and the ciliate Myrionecta rubra might have a substantial biogeochemical impact because these species increase the retention time of newly produced material in the nutrient-limited surface layer in late spring.

Tactile surface classification for limbed robots using a pressure sensitive robot skin.

PubMed

Shill, Jacob J; Collins, Emmanuel G; Coyle, Eric; Clark, Jonathan

2015-02-02

This paper describes an approach to terrain identification based on pressure images generated through direct surface contact using a robot skin constructed around a high-resolution pressure sensing array. Terrain signatures for classification are formulated from the magnitude frequency responses of the pressure images. The initial experimental results for statically obtained images show that the approach yields classification accuracies [Formula: see text]. The methodology is extended to accommodate the dynamic pressure images anticipated when a robot is walking or running. Experiments with a one-legged hopping robot yield similar identification accuracies [Formula: see text]. In addition, the accuracies are independent with respect to changing robot dynamics (i.e., when using different leg gaits). The paper further shows that the high-resolution capabilities of the sensor enables similarly textured surfaces to be distinguished. A correcting filter is developed to accommodate for failures or faults that inevitably occur within the sensing array with continued use. Experimental results show using the correcting filter can extend the effective operational lifespan of a high-resolution sensing array over 6x in the presence of sensor damage. The results presented suggest this methodology can be extended to autonomous field robots, providing a robot with crucial information about the environment that can be used to aid stable and efficient mobility over rough and varying terrains.

Microwave plasma assisted supersonic gas jet deposition of thin film materials

DOEpatents

Schmitt, III, Jerome J.; Halpern, Bret L.

1993-01-01

An apparatus for fabricating thin film materials utilizing high speed gas dynamics relies on supersonic free jets of carrier gas to transport depositing vapor species generated in a microwave discharge to the surface of a prepared substrate where the vapor deposits to form a thin film. The present invention generates high rates of deposition and thin films of unforeseen high quality at low temperatures.

Effect of high sedimentation rates on surface sediment dynamics and mangrove growth in the Porong River, Indonesia.

PubMed

Sidik, Frida; Neil, David; Lovelock, Catherine E

2016-06-15

Large quantities of mud from the LUSI (Lumpur Sidoarjo) volcano in northeastern Java have been channeled to the sea causing high rates of sediment delivery to the mouth of the Porong River, which has a cover of natural and planted mangroves. This study investigated how the high rates of sediment delivery affected vertical accretion, surface elevation change and the growth of Avicennia sp., the dominant mangrove species in the region. During our observations in 2010-2011 (4-5years after the initial volcanic eruption), very high rates of sedimentation in the forests at the mouth of the river gave rise to high vertical accretion of over 10cmy(-1). The high sedimentation rates not only resulted in reduced growth of Avicennia sp. mangrove trees at the two study sites at the Porong River mouth, but also gave rise to high soil surface elevation gains. Copyright © 2016 Elsevier Ltd. All rights reserved.

Molecular dynamics simulation of water at mineral surfaces: Structure, dynamics, energetics and hydrogen bonding

NASA Astrophysics Data System (ADS)

Kalinichev, A. G.; Wang, J.; Kirkpatrick, R.

2006-05-01

Fundamental molecular-level understanding of the properties of aqueous mineral interfaces is of great importance for many geochemical and environmental systems. Interaction between water and mineral surfaces substantially affects the properties of both phases, including the reactivity and functionality of the substrate surface, and the structure, dynamics, and energetics of the near surface aqueous phase. Experimental studies of interfacial water structure and dynamics using surface-sensitive techniques such as sum-frequency vibrational spectroscopy or X-ray and neutron reflectivity are not always possible for many practically important substrates, and their results often require interpretation concerning the atomistic mechanisms responsible for the observed behavior. Molecular computer simulations can provide new insight into the underlying molecular- level relationships between the inorganic substrate structure and composition and the structure, ordering, and dynamics of interfacial water. We have performed a series of molecular dynamics (MD) computer simulations of aqueous interfaces with several silicates (quartz, muscovite, and talc) and hydroxides (brucite, portlandite, gibbsite, Ca/Al and Mg/Al double hydroxides) to quantify the effects of the substrate mineral structure and composition on the structural, transport, and thermodynamic properties of water on these mineral surfaces. Due to the prevalent effects of the development of well-interconnected H-bonding networks across the mineral- water interfaces, all the hydroxide surfaces (including a fully hydroxylated quartz surface) show very similar H2O density profiles perpendicular to the interface. However, the predominant orientations of the interfacial H2O molecules and their detailed 2-dimensional near-surface structure and dynamics parallel to the interface are quite different reflecting the differences in the substrate structural charge distribution and the density and orientations of the surface OH groups. The H2O density profiles and other structural and dynamic characteristics of water at the two siloxane surfaces are very different from each other and from the hydroxide surfaces, since the muscovite surface is negatively charged and hydrophilic, while the talc surface is electrostatically neutral and hydrophobic. In general, at hydrophilic neutral surfaces both donating and accepting H-bonds from the H2O molecules are contributing to the development of the interfacial H-bond network, whereas at hydrophilic but charged surfaces only accepting or donating H-bonds with H2O molecules are possible. At the hydrophobic talc surface H-bonds among H2O molecules dominate the interfacial H-bond network and the water-surface interactions are very weak. The first water layer at all substrates is well ordered parallel to the surface, reflecting substrate crystal structures and indicating the reduced translational and orientational mobility of interfacial H2O molecules. At longer time scale (~100ps) their dynamics can be decomposed into a slow, virtually frozen, regime due to the substrate- bound H2O and a faster regime of almost free water reflecting the dynamics far from the surface. At shorter times (>10ps) the two dynamical regimes are superimposed. The much higher ordering of interfacial water (compared to bulk liquid) can not be adequately described as simply "ice-like". To some extent, it rather resembles the behavior of supercooled water.

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

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Surface nanocrystalline and hardening effects of Ti-Al-V alloy by electropulsing ultrasonic shock

NASA Astrophysics Data System (ADS)

Ye, Xiaoxin

2015-04-01

The effect of electropulsing ultrasonic shock (EUS) on the surface hardening and microstructure of Ti6Al4V alloy was studied. It was found that electropulsing improved the microhardness dramatically both in the influential depth and maximum value, compared with the only ultrasonic-shocked sample. It's indicated that refined surface layer with nanocrystalline and improved microhardness were obtained on account of surface severe plastic deformation, dynamic recrystallization (DRX) and phase change, which was implemented at relative low temperature and high strain rate/capacity due to the coupling of the thermal and athermal effects of EUS. It's different from conventional experiments and theory. It's discussed that the positive contributions of EPT in the thermodynamics and kinetics of microstructure and properties change were attributed to the reduction of nucleation energy barrier and acceleration of atomic diffusion. Therefore, it's supposed that EUS is an energy-saving and high-efficiency method of surface treatment technique with the help of high-energy electropulses, which is promising in cost reduction of the surface engineering and energy management.

Dynamic weakening of serpentinite gouges and bare surfaces at seismic slip rates

PubMed Central

Proctor, B P; Mitchell, T M; Hirth, G; Goldsby, D; Zorzi, F; Platt, J D; Di Toro, G

2014-01-01

To investigate differences in the frictional behavior between initially bare rock surfaces of serpentinite and powdered serpentinite (“gouge”) at subseismic to seismic slip rates, we conducted single-velocity step and multiple-velocity step friction experiments on an antigorite-rich and lizardite-rich serpentinite at slip rates (V) from 0.003 m/s to 6.5 m/s, sliding displacements up to 1.6 m, and normal stresses (σn) up to 22 MPa for gouge and 97 MPa for bare surfaces. Nominal steady state friction values (μnss) in gouge at V = 1 m/s are larger than in bare surfaces for all σn tested and demonstrate a strong σn dependence; μnss decreased from 0.51 at 4.0 MPa to 0.39 at 22.4 MPa. Conversely, μnss values for bare surfaces remained ∼0.1 with increasing σn and V. Additionally, the velocity at the onset of frictional weakening and the amount of slip prior to weakening were orders of magnitude larger in gouge than in bare surfaces. Extrapolation of the normal stress dependence for μnss suggests that the behavior of antigorite gouge approaches that of bare surfaces at σn ≥ 60 MPa. X-ray diffraction revealed dehydration reaction products in samples that frictionally weakened. Microstructural analysis revealed highly localized slip zones with melt-like textures in some cases gouge experiments and in all bare surfaces experiments for V ≥ 1 m/s. One-dimensional thermal modeling indicates that flash heating causes frictional weakening in both bare surfaces and gouge. Friction values for gouge decrease at higher velocities and after longer displacements than bare surfaces because strain is more distributed. Key Points Gouge friction approaches that of bare surfaces at high normal stress Dehydration reactions and bulk melting in serpentinite in < 1 m of slip Flash heating causes dynamic frictional weakening in gouge and bare surfaces PMID:26167425

Monitoring land surface albedo and vegetation dynamics using high spatial and temporal resolution synthetic data from Landsat and MODIS BRDF/albedo product

USDA-ARS?s Scientific Manuscript database

Climate warming over the past half century has led to observable changes in vegetation phenology and growing season length; which can be measured globally using remote sensing derived vegetation indices. Previous studies in mid- and high northern latitude systems show temperature driven earlier spri...

Drop Impingement on Highly Wetting Micro/Nano Porous Surfaces

NASA Astrophysics Data System (ADS)

Buie, Cullen; Joung, Youngsoo

2011-11-01

Recently, we developed a novel fabrication method using a combination of electrophoretic deposition (EPD) and break down anodization (BDA) to achieve highly wetting nanoporous surfaces with microscale features. In this study we investigate droplet impingement behavior on these surfaces as a function of impact velocity, droplet size, and liquid properties. We observe impingement modes we denote as ``necking'' (droplet breaks before full penetration in the porous surface), ``spreading'' (continuous wicking into the porous surface), and ``jetting'' (jets of liquid emanate from the edges of the wicking liquid). To predict the droplet impingement modes, we've developed a non-dimensional parameter that is a function of droplet velocity, dynamic viscosity, effective pore radius and contact angle. The novel dimensionless parameter successfully predicts drop impingement modes across multiple fluids. Results of this study will inform the design of spray impingement cooling systems for electronics applications where the ``spreading'' mode is preferred.

Hydrological Dynamics In High Mountain Catchment Areas of Central Norway

NASA Astrophysics Data System (ADS)

Löffler, J.; Rössler, O.

Large-scaled landscape structure is regarded as a mosaic of ecotopes where pro- cess dynamics of water and energy fluxes are analysed due to its effects on ecosys- tem functioning. The investigations have been carried out in the continental most Vågå/Oppland high mountains in central Norway since 1994 (LÖFFLER WUN- DRAM 1999, 2000, 2001). Additionally, comparable investigations started in 2000 dealing with the oceanic high mountain landscapes on same latitudes (LÖFFLER et al. 2001). The theoretical and methodological framework of the project is given by the Landscape-Ecological Complex Analysis (MOSIMANN 1984, 1985) and its variations due to technical and principle methodical challenges in this high moun- tain landscape (KÖHLER et al. 1994, LÖFFLER 1998). The aim of the project is to characterize high mountain ecosystem structure, functioning and dynamics within small catchment areas, that are chosen in two different altitudinal belts each in the eastern continental and the western oceanic region of central Norway. In the frame of this research project hydrological and meteorological measurements on ground water, percolation and soil moisture dynamics as well as on evaporation, air humidity and air-, surface- and soil-temperatures have been conducted. On the basis of large-scaled landscape-ecological mappings (LÖFFLER 1997) one basic meteorological station and several major data logger run stations have been installed in representative sites of each two catchment areas in the low and mid alpine belts of the investigation re- gions (JUNG et al. 1997, LÖFFLER WUNDRAM 1997). Moreover, spatial differ- entiations of groundwater level, soil moisture and temperature profiles have been in- vestigated by means of hand held measurements at different times of the day, during different climatic situations and different seasons. Daily and annual air-, surface- and soil-temperature dynamics are demonstrated by means of thermoisopleth-diagrams for different types of ecotopes of the different altitudinal belts. The local differences of temperature dynamics are illustrated in a map as an example of the low alpine al- titudinal belt showing a 4-dimensional characterization (in space and time) of high mountain ecosystem functioning. Hydrological aspects derived from those results are presented showing the large-scaled hydrological dynamics of high mountain catch- ment basins in central Norway. The results of the process analysis of hydrological dynamics in the central Norwegian high mountains are discussed within the frame of 1 investigations on altitudinal changes of mountain ecosystem structure and function- ing (LÖFFLER WUNDRAM [in print]). The poster illustrates the theoretical and methodological conception, methods and techniques, examples from complex data material as well as general outcomes of the project (RÖSSLER [in prep.]. 2

Cropland land surface phenology and seasonality in East Africa: Ethiopia, Tanzania, and South Sudan

NASA Astrophysics Data System (ADS)

Alemu, W. G.; Henebry, G. M.

2015-12-01

Most people in East Africa depend on rainfed agriculture. Rainfall in the region has been decreasing recently and is highly variable in space and time leading to high food insecurity. A comprehensive understanding of the regional cropland dynamics is therefore needed. Land surface phenology and land surface seasonality have important roles in monitoring cropland dynamics in a region with sparse coverage of in situ climatic and biophysical observations. However, commonly used optical satellite data are often degraded by cloud cover, aerosols, and dust and they are restricted to daytime observations. Here we used near-daily passive microwave (PM) data at 25 km spatial resolution from a series of microwave radiometers—AMSR-E, FengYun3B/MWRI, AMSR2—to study cropland dynamics for 2003-2013 in three important grain production areas of East Africa: Ethiopia, Tanzania, and South Sudan. PM data can be collected through clouds and at night. Based on Google Earth imagery, we identified several cropland areas corresponding to PM grid cells. Rainfall from TRMM and atmospheric water vapor (V) from PM data displayed temporal patterns that were unimodal in Ethiopia and South Sudan, but bimodal in Tanzania. We fitted convex quadratic models to link growing season increments of V and vegetation optical depth (VOD) to accumulated V (AV). The models yielded high coefficients of determination (r2 ≥0.8) and phenometrics calculated from the parameter coefficients. Peak rainfall lagged peak V, but preceded peak VOD. Growing degree-days (GDD), calculated from the PM air temperature data, displayed a weaker bimodal seasonality in which the lowest values occurred during the peak rainy season, due to the cooling effect of latent heat flux and coupled with higher reflection of insolation by the cloud deck. V as a function of GDD displays quasi-periodic behavior. Drier sites in the region displayed larger (smaller) intra-annual dynamic range of V (GDD) compared to the moister sites.

Redistribution of caveolae during mitosis

PubMed Central

Boucrot, Emmanuel; Howes, Mark T.; Kirchhausen, Tomas; Parton, Robert G.

2011-01-01

Caveolae form a specialized platform within the plasma membrane that is crucial for an array of important biological functions, ranging from signaling to endocytosis. Using total internal reflection fluorescence (TIRF) and 3D fast spinning-disk confocal imaging to follow caveola dynamics for extended periods, and electron microscopy to obtain high resolution snapshots, we found that the vast majority of caveolae are dynamic with lifetimes ranging from a few seconds to several minutes. Use of these methods revealed a change in the dynamics and localization of caveolae during mitosis. During interphase, the equilibrium between the arrival and departure of caveolae from the cell surface maintains the steady-state distribution of caveolin-1 (Cav1) at the plasma membrane. During mitosis, increased dynamics coupled to an imbalance between the arrival and departure of caveolae from the cell surface induces a redistribution of Cav1 from the plasma membrane to intracellular compartments. These changes are reversed during cytokinesis. The observed redistribution of Cav1 was reproduced by treatment of interphase cells with nocodazole, suggesting that microtubule rearrangements during mitosis can mediate caveolin relocalization. This study provides new insights into the dynamics of caveolae and highlights precise regulation of caveola budding and recycling during mitosis. PMID:21625007

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

NASA Technical Reports Server (NTRS)

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

2015-01-01

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

Nonadiabatic excited-state molecular dynamics modeling of photoinduced dynamics in conjugated molecules.

PubMed

Nelson, Tammie; Fernandez-Alberti, Sebastian; Chernyak, Vladimir; Roitberg, Adrian E; Tretiak, Sergei

2011-05-12

Nonadiabatic dynamics generally defines the entire evolution of electronic excitations in optically active molecular materials. It is commonly associated with a number of fundamental and complex processes such as intraband relaxation, energy transfer, and light harvesting influenced by the spatial evolution of excitations and transformation of photoexcitation energy into electrical energy via charge separation (e.g., charge injection at interfaces). To treat ultrafast excited-state dynamics and exciton/charge transport we have developed a nonadiabatic excited-state molecular dynamics (NA-ESMD) framework incorporating quantum transitions. Our calculations rely on the use of the Collective Electronic Oscillator (CEO) package accounting for many-body effects and actual potential energy surfaces of the excited states combined with Tully's fewest switches algorithm for surface hopping for probing nonadiabatic processes. This method is applied to model the photoinduced dynamics of distyrylbenzene (a small oligomer of polyphenylene vinylene, PPV). Our analysis shows intricate details of photoinduced vibronic relaxation and identifies specific slow and fast nuclear motions that are strongly coupled to the electronic degrees of freedom, namely, torsion and bond length alternation, respectively. Nonadiabatic relaxation of the highly excited mA(g) state is predicted to occur on a femtosecond time scale at room temperature and on a picosecond time scale at low temperature.

Anomalous X-Ray yields under surface wave resonance during reflection high energy electron diffraction and adatom site determination

PubMed

Yamanaka; Ino

2000-05-08

In L x-ray emissions from a Si(111)-sqrt[3]xsqrt[3]-In surface induced by electron beam irradiation were measured as functions of the incident glancing angle. Under surface wave resonance conditions, anomalous x-ray intensities were clearly observed. Using dynamical calculations, these intensities are well explained as changes in density of the electron wave field at adatom positions. From these intensities, the adatom site was analyzed, and it was found that the T4 model is better than the H3 model.

Weakly bound water structure, bond valence saturation and water dynamics at the goethite (100) surface/aqueous interface: ab initio dynamical simulations.

PubMed

Chen, Ying; Bylaska, Eric J; Weare, John H

2017-03-31

Many important geochemical and biogeochemical reactions occur in the mineral/formation water interface of the highly abundant mineral, goethite [α-Fe(OOH)]. Ab initio molecular dynamics (AIMD) simulations of the goethite α-FeOOH (100) surface and the structure, water bond formation and dynamics of water molecules in the mineral/aqueous interface are presented. Several exchange correlation functionals were employed (PBE96, PBE96 + Grimme, and PBE0) in the simulations of a (3 × 2) goethite surface with 65 absorbed water molecules in a 3D-periodic supercell (a = 30 Å, FeOOH slab ~12 Å thick, solvation layer ~18 Å thick). The lowest energy goethite (100) surface termination model was determined to have an exposed surface Fe 3+ that was loosely capped by a water molecule and a shared hydroxide with a neighboring surface Fe 3+ . The water molecules capping surface Fe 3+ ions were found to be loosely bound at all DFT levels with and without Grimme corrections, indicative that each surface Fe 3+ was coordinated with only five neighbors. These long bonds were supported by bond valence theory calculations, which showed that the bond valence of the surface Fe 3+ was saturated and surface has a neutral charge. The polarization of the water layer adjacent to the surface was found to be small and affected only the nearest water. Analysis by density difference plots and localized Boys orbitals identified three types of water molecules: those loosely bound to the surface Fe 3+ , those hydrogen bonded to the surface hydroxyl, and bulk water with tetrahedral coordination. Boys orbital analysis showed that the spin down lone pair orbital of the weakly absorbed water interact more strongly with the spin up Fe 3+ ion. These weakly bound surface water molecules were found to rapidly exchange with the second water layer (~0.025 exchanges/ps) using a dissociative mechanism. Water molecules adjacent to the surface were found to only weakly interact with the surface and as a result were readily able to exchange with the bulk water. To account for the large surface Fe-OH 2 distances in the DFT calculations it was proposed that the surface Fe 3+ atoms, which already have their bond valence fully satisfied with only five neighbors, are under-coordinated with respect to the bulk coordination. Graphical abstract All first principle calculations, at all practically achievable levels, for the goethite 100 aqueous interface support a long bond and weak interaction between the exposed surface Fe 3+ and water molecules capping the surface. This result is supported by bond valence theory calculations and is indicative that each surface Fe 3+ is coordinated with only 5 neighbors.

A Parallel, Multi-Scale Watershed-Hydrologic-Inundation Model with Adaptively Switching Mesh for Capturing Flooding and Lake Dynamics

NASA Astrophysics Data System (ADS)

Ji, X.; Shen, C.

2017-12-01

Flood inundation presents substantial societal hazards and also changes biogeochemistry for systems like the Amazon. It is often expensive to simulate high-resolution flood inundation and propagation in a long-term watershed-scale model. Due to the Courant-Friedrichs-Lewy (CFL) restriction, high resolution and large local flow velocity both demand prohibitively small time steps even for parallel codes. Here we develop a parallel surface-subsurface process-based model enhanced by multi-resolution meshes that are adaptively switched on or off. The high-resolution overland flow meshes are enabled only when the flood wave invades to floodplains. This model applies semi-implicit, semi-Lagrangian (SISL) scheme in solving dynamic wave equations, and with the assistant of the multi-mesh method, it also adaptively chooses the dynamic wave equation only in the area of deep inundation. Therefore, the model achieves a balance between accuracy and computational cost.

PREFACE: Vibrations at surfaces Vibrations at surfaces

NASA Astrophysics Data System (ADS)

Rahman, Talat S.

2011-12-01

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

Effects of Medium Temperature and Industrial By-Products on the Key Hardened Properties of High Performance Concrete.

PubMed

Safiuddin, Md; Raman, Sudharshan N; Zain, Muhammad Fauzi Mohd

2015-12-10

The aim of the work reported in this article was to investigate the effects of medium temperature and industrial by-products on the key hardened properties of high performance concrete. Four concrete mixes were prepared based on a water-to-binder ratio of 0.35. Two industrial by-products, silica fume and Class F fly ash, were used separately and together with normal portland cement to produce three concrete mixes in addition to the control mix. The properties of both fresh and hardened concretes were examined in the laboratory. The freshly mixed concrete mixes were tested for slump, slump flow, and V-funnel flow. The hardened concretes were tested for compressive strength and dynamic modulus of elasticity after exposing to 20, 35 and 50 °C. In addition, the initial surface absorption and the rate of moisture movement into the concretes were determined at 20 °C. The performance of the concretes in the fresh state was excellent due to their superior deformability and good segregation resistance. In their hardened state, the highest levels of compressive strength and dynamic modulus of elasticity were produced by silica fume concrete. In addition, silica fume concrete showed the lowest level of initial surface absorption and the lowest rate of moisture movement into the interior of concrete. In comparison, the compressive strength, dynamic modulus of elasticity, initial surface absorption, and moisture movement rate of silica fume-fly ash concrete were close to those of silica fume concrete. Moreover, all concretes provided relatively low compressive strength and dynamic modulus of elasticity when they were exposed to 50 °C. However, the effect of increased temperature was less detrimental for silica fume and silica fume-fly ash concretes in comparison with the control concrete.

Effects of Medium Temperature and Industrial By-Products on the Key Hardened Properties of High Performance Concrete

PubMed Central

Safiuddin, Md.; Raman, Sudharshan N.; Zain, Muhammad Fauzi Mohd.

2015-01-01

The aim of the work reported in this article was to investigate the effects of medium temperature and industrial by-products on the key hardened properties of high performance concrete. Four concrete mixes were prepared based on a water-to-binder ratio of 0.35. Two industrial by-products, silica fume and Class F fly ash, were used separately and together with normal portland cement to produce three concrete mixes in addition to the control mix. The properties of both fresh and hardened concretes were examined in the laboratory. The freshly mixed concrete mixes were tested for slump, slump flow, and V-funnel flow. The hardened concretes were tested for compressive strength and dynamic modulus of elasticity after exposing to 20, 35 and 50 °C. In addition, the initial surface absorption and the rate of moisture movement into the concretes were determined at 20 °C. The performance of the concretes in the fresh state was excellent due to their superior deformability and good segregation resistance. In their hardened state, the highest levels of compressive strength and dynamic modulus of elasticity were produced by silica fume concrete. In addition, silica fume concrete showed the lowest level of initial surface absorption and the lowest rate of moisture movement into the interior of concrete. In comparison, the compressive strength, dynamic modulus of elasticity, initial surface absorption, and moisture movement rate of silica fume-fly ash concrete were close to those of silica fume concrete. Moreover, all concretes provided relatively low compressive strength and dynamic modulus of elasticity when they were exposed to 50 °C. However, the effect of increased temperature was less detrimental for silica fume and silica fume-fly ash concretes in comparison with the control concrete. PMID:28793732

Subglacial efficiency and storage modified by the temporal pattern of high-elevation meltwater input

NASA Astrophysics Data System (ADS)

Andrews, L. C.; Dow, C. F.; Poinar, K.; Nowicki, S.

2017-12-01

Ice flow in marginal region of the Greenland Ice Sheet dynamically responds to summer melting as surface meltwater is routed through the supraglacial hydrologic system to the bed of the ice sheet via crevasses and moulins. Given the expected increases in surface melt production and extent, and the potential for high elevation surface-to-bed connections, it is imperative to understand how meltwater delivered to the bed from different high-elevation supraglacial storage features affects the evolution of the subglacial hydrologic system and associated ice dynamics. Here, we use the two-dimensional subglacial hydrologic model, GLaDS, which includes distributed and channelized water flow, to test how the subglacial system of an idealized outlet glacier responds to cases of high-elevation firn-aquifer-type and supraglacial-lake-type englacial drainage over the course of 5 years. Model outputs driven by these high elevation drainage types are compared to steady-state model results, where the subglacial system only receives the 1980-2016 mean MERRA-2 runoff via low-elevation moulins. Across all experiments, the subglacial hydrologic system displays inter-annual memory, resulting in multiyear declines in subglacial pressure during the onset of seasonal melting and growth of subglacial channels. The gradual addition of water in firn-aquifer-type drainage scenarios resulted in small increases in subglacial water storage but limited changes in subglacial efficiency and channelization. Rapid, supraglacial-lake-type drainage resulted in short-term local increases in subglacial water pressure and storage, which gave way to spatially extensive decreases in subglacial pressure and downstream channelization. These preliminary results suggest that the character of high-elevation englacial drainage can have a strong, and possibly outsized, control on subglacial efficiency throughout the ablation zone. Therefore, understanding both how high elevation meltwater is stored supraglacially and the probability of crevassing at high elevations will play an important role in how the subglacial system, proglacial discharge and ice motion will respond to future increases in surface melt production and runoff.

Subglacial efficiency and storage modified by the temporal pattern of high-elevation meltwater input

NASA Astrophysics Data System (ADS)

Ackley, S. F.; Maksym, T.; Stammerjohn, S. E.; Gao, Y.; Weissling, B.

2016-12-01

Ice flow in marginal region of the Greenland Ice Sheet dynamically responds to summer melting as surface meltwater is routed through the supraglacial hydrologic system to the bed of the ice sheet via crevasses and moulins. Given the expected increases in surface melt production and extent, and the potential for high elevation surface-to-bed connections, it is imperative to understand how meltwater delivered to the bed from different high-elevation supraglacial storage features affects the evolution of the subglacial hydrologic system and associated ice dynamics. Here, we use the two-dimensional subglacial hydrologic model, GLaDS, which includes distributed and channelized water flow, to test how the subglacial system of an idealized outlet glacier responds to cases of high-elevation firn-aquifer-type and supraglacial-lake-type englacial drainage over the course of 5 years. Model outputs driven by these high elevation drainage types are compared to steady-state model results, where the subglacial system only receives the 1980-2016 mean MERRA-2 runoff via low-elevation moulins. Across all experiments, the subglacial hydrologic system displays inter-annual memory, resulting in multiyear declines in subglacial pressure during the onset of seasonal melting and growth of subglacial channels. The gradual addition of water in firn-aquifer-type drainage scenarios resulted in small increases in subglacial water storage but limited changes in subglacial efficiency and channelization. Rapid, supraglacial-lake-type drainage resulted in short-term local increases in subglacial water pressure and storage, which gave way to spatially extensive decreases in subglacial pressure and downstream channelization. These preliminary results suggest that the character of high-elevation englacial drainage can have a strong, and possibly outsized, control on subglacial efficiency throughout the ablation zone. Therefore, understanding both how high elevation meltwater is stored supraglacially and the probability of crevassing at high elevations will play an important role in how the subglacial system, proglacial discharge and ice motion will respond to future increases in surface melt production and runoff.