Unusual spiral wave dynamics in the Kessler-Levine model of an excitable medium

NASA Astrophysics Data System (ADS)

Oikawa, N.; Bodenschatz, E.; Zykov, V. S.

2015-05-01

The Kessler-Levine model is a two-component reaction-diffusion system that describes spatiotemporal dynamics of the messenger molecules in a cell-to-cell signaling process during the aggregation of social amoeba cells. An excitation wave arising in the model has a phase wave at the wave back, which simply follows the wave front after a fixed time interval with the same propagation velocity. Generally speaking, the medium excitability and the refractoriness are two important factors which determine the spiral wave dynamics in any excitable media. The model allows us to separate these two factors relatively easily since the medium refractoriness can be changed independently of the medium excitability. For rigidly rotating waves, the universal relationship has been established by using a modified free-boundary approach, which assumes that the front and the back of a propagating wave are thin in comparison to the wave plateau. By taking a finite thickness of the domain boundary into consideration, the validity of the proposed excitability measure has been essentially improved. A novel method of numerical simulation to suppress the spiral wave instabilities is introduced. The trajectories of the spiral tip observed for a long refractory period have been investigated under a systematic variation of the medium refractoriness.

Nanorod mediated surface plasmon resonance sensor based on effective medium theory

USDA-ARS?s Scientific Manuscript database

A novel nanorod mediated surface plasmon resonance (SPR) sensor was investigated for enhancing sensitivity of the sensor. The theoretical model containing an anisotropic layer of nanorod was investigated using four-layer Fresnel equations and effective medium theory. The properties of the nanorod me...

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.

Cooperative dynamics in the penetration of a group of intruders in a granular medium.

PubMed

Pacheco-Vázquez, F; Ruiz-Suárez, J C

2010-11-23

An object moving in a fluid experiences a drag force that depends on its velocity, shape and the properties of the medium. From this simplest case to the motion of a flock of birds or a school of fish, the drag forces and the hydrodynamic interactions determine the full dynamics of the system. Similar drag forces appear when a single projectile impacts and moves through a granular medium, and this case is well studied in the literature. On the other hand, the case in which a group of intruders impact a granular material has never been considered. Here, we study the simultaneous penetration of several intruders in a very low-density granular medium. We find that the intruders move through it in a collective way, following a cooperative dynamics, whose complexity resembles flocking phenomena in living systems or the movement of reptiles in sand, wherein changes in drag are exploited to efficiently move or propel.

Cooperative dynamics in the penetration of a group of intruders in a granular medium

PubMed Central

Pacheco-Vázquez, F.; Ruiz-Suárez, J.C.

2010-01-01

An object moving in a fluid experiences a drag force that depends on its velocity, shape and the properties of the medium. From this simplest case to the motion of a flock of birds or a school of fish, the drag forces and the hydrodynamic interactions determine the full dynamics of the system. Similar drag forces appear when a single projectile impacts and moves through a granular medium, and this case is well studied in the literature. On the other hand, the case in which a group of intruders impact a granular material has never been considered. Here, we study the simultaneous penetration of several intruders in a very low-density granular medium. We find that the intruders move through it in a collective way, following a cooperative dynamics, whose complexity resembles flocking phenomena in living systems or the movement of reptiles in sand, wherein changes in drag are exploited to efficiently move or propel. PMID:21119636

Influence of prestress and periodic corrugated boundary surfaces on Rayleigh waves in an orthotropic medium over a transversely isotropic dissipative semi-infinite substrate

NASA Astrophysics Data System (ADS)

Gupta, Shishir; Ahmed, Mostaid

2017-01-01

The paper environs the study of Rayleigh-type surface waves in an orthotropic crustal layer over a transversely isotropic dissipative semi-infinite medium under the effect of prestress and corrugated boundary surfaces. Separate displacement components for both media have been derived in order to characterize the dynamics of individual materials. Suitable boundary conditions have been employed upon the surface wave solutions of the elasto-dynamical equations that are taken into consideration in the light of corrugated boundary surfaces. From the real part of the sixth-order complex determinantal expression, we obtain the frequency equation for Rayleigh waves concerning the proposed earth model. Possible special cases have been envisaged and they fairly comply with the corresponding results for classical cases. Numerical computations have been performed in order to graphically demonstrate the role of the thickness of layer, prestress, corrugation parameters and dissipation on Rayleigh wave velocity. The study may be regarded as important due to its possible applications in delay line services and investigating deformation characteristics of solids as well as typical rock formations.

Atomic Scale Medium Range Order and Relaxation Dynamics in Metallic Glass

NASA Astrophysics Data System (ADS)

Zhang, Pei

structural origin for its lower crystallization temperature compared with quenched alloy. Dynamics heterogeneity is proposed to be the microscopic origin of the dynamic nature of glass transition. Some experimental evidence and simulation have indicated that different regions of materials indeed relax at fast or slow rate. However, the spatial distribution of relaxation time visualized from the experiment as the direct evidence of heterogeneous dynamics is still challenging. We proposed to measure the structural dynamics of supercooled metallic glasses with electron correlation microscopy (ECM) technique at the nanometer scale. ECM was developed as a way to measure structural relaxation times of liquids with nanometer-scale spatial resolution using the coherent electron scattering equivalent of photon correlation spectroscopy. In chapter 6, we studied the experimental requirements of ECM to obtain reliable results. For example, the trajectory length must be at least 40 times the relaxation time to obtain a well-converged g2( t), and the time per frame must be less than 0.1 time the relaxation time to obtain sufficient sampling. ECM experiment was firstly realized in scanning transmission electron microscopy (STEM) mode and applied to measure the structural relaxation time of Pd based metallic glass. In order to overcome the drift problem and capture the spatial information, we developed ECM experiment in dark field (DF) mode. In Chapter 7, through DF-ECM, we visualized the spatially heterogeneous dynamics by in-situ heating Pt57.5Cu14.7Ni 5.3P22.5 nanowire into supercooled liquid state, and quantify the size of the heterogeneity by four-point correlation function. The thickness effect and temporal evolution of the heterogeneous domain were also discussed. Additionally, a fast near-surface dynamics was discovered, providing an effective mechanism for surface crystallization of liquids by homogeneous nucleation.

Surface Preparation Methods to Enhance Dynamic Surface Property Measurements of Shocked Metal Surfaces

NASA Astrophysics Data System (ADS)

Zellner, Michael; McNeil, Wendy; Gray, George, III; Huerta, David; King, Nicholas; Neal, George; Payton, Jeremy; Rubin, Jim; Stevens, Gerald; Turley, William; Buttler, William

2008-03-01

This effort investigates surface-preparation methods to enhance dynamic surface-property measurements of shocked metal surfaces. To assess the ability of making reliable and consistent dynamic surface-property measurements, the amount of material ejected from the free-surface upon shock release to vacuum (ejecta) was monitored for shocked Al-1100 and Sn targets. Four surface preparation methods were considered: fly-cut machined finish, diamond-turned machine finish, polished finish, and ball-rolled. The samples were shock loaded by in-contact detonation of HE PBX-9501 on the front-side of the metal coupons. Ejecta production at the back-side or free-side of the metal coupons was monitored using piezoelectric pins, optical shadowgraphy, and x-ray attenuation radiography.

Surface preparation methods to enhance dynamic surface property measurements of shocked metal surfaces

NASA Astrophysics Data System (ADS)

Zellner, M. B.; Vogan McNeil, W.; Gray, G. T.; Huerta, D. C.; King, N. S. P.; Neal, G. E.; Valentine, S. J.; Payton, J. R.; Rubin, J.; Stevens, G. D.; Turley, W. D.; Buttler, W. T.

2008-04-01

This effort investigates surface-preparation methods to enhance dynamic surface-property measurements of shocked metal surfaces. To assess the ability of making reliable and consistent dynamic surface-property measurements, the amount of material ejected from the free surface upon shock release to vacuum (ejecta) was monitored for shocked Al-1100 and Sn targets. Four surface-preparation methods were considered: Fly-cut machine finish, diamond-turned machine finish, polished finish, and ball rolled. The samples were shock loaded by in-contact detonation of HE PBX-9501 on the front side of the metal coupons. Ejecta production at the back side or free side of the metal coupons was monitored using piezoelectric pins, optical shadowgraphy, and x-ray attenuation radiography.

The Dynamic Surface Tension of Water

PubMed Central

2017-01-01

The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m–1) than under equilibrium conditions (∼72 mN m–1) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments. PMID:28301160

The Dynamic Surface Tension of Water.

PubMed

Hauner, Ines M; Deblais, Antoine; Beattie, James K; Kellay, Hamid; Bonn, Daniel

2017-04-06

The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m -1 ) than under equilibrium conditions (∼72 mN m -1 ) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments.

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.

Wettability transition of laser textured brass surfaces inside different mediums

NASA Astrophysics Data System (ADS)

Yan, Huangping; Abdul Rashid, Mohamed Raiz B.; Khew, Si Ying; Li, Fengping; Hong, Minghui

2018-01-01

Hydrophobic surface on brass has attracted intensive attention owing to its importance in scientific research and practical applications. Laser texturing provides a simple and promising method to achieve it. Reducing wettability transition time from hydrophilicity to hydrophobicity or superhydrophobicity remains a challenge. Herein, wettability transition of brass surfaces with hybrid micro/nano-structures fabricated by laser texturing was investigated by immersing the samples inside different mediums. Scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy and surface contact angle measurement were employed to characterize surface morphology, chemical composition and wettability of the fabricated surfaces of brass samples. Wettability transition time from hydrophilicity to hydrophobicity was shortened by immersion into isopropyl alcohol for a period of 3 h as a result of the absorption and accumulation of organic substances on the textured brass surface. When the textured brass sample was immersed into sodium bicarbonate solution, flower-like structures on the sample surface played a key role in slowing down wettability transition. Moreover, it had the smallest steady state contact angle as compared to the others. This study provides a facile method to construct textured surfaces with tunable wetting behaviors and effectively extend the industrial applications of brass.

Chaotic dynamics of large-scale double-diffusive convection in a porous medium

NASA Astrophysics Data System (ADS)

Kondo, Shutaro; Gotoda, Hiroshi; Miyano, Takaya; Tokuda, Isao T.

2018-02-01

We have studied chaotic dynamics of large-scale double-diffusive convection of a viscoelastic fluid in a porous medium from the viewpoint of dynamical systems theory. A fifth-order nonlinear dynamical system modeling the double-diffusive convection is theoretically obtained by incorporating the Darcy-Brinkman equation into transport equations through a physical dimensionless parameter representing porosity. We clearly show that the chaotic convective motion becomes much more complicated with increasing porosity. The degree of dynamic instability during chaotic convective motion is quantified by two important measures: the network entropy of the degree distribution in the horizontal visibility graph and the Kaplan-Yorke dimension in terms of Lyapunov exponents. We also present an interesting on-off intermittent phenomenon in the probability distribution of time intervals exhibiting nearly complete synchronization.

Effective medium model for a granular monolayer on an elastic substrate

NASA Astrophysics Data System (ADS)

Maznev, Alexei

Effective medium models have been shown to work well in describing experimental observations of the interaction of surface Rayleigh waves with contact vibrations of a monolayer of microspheres . However, these models contain intrinsic conceptual problems: for example, the local displacement of the substrate at the contact point is equated to the effective medium average value of the surface displacement. I will present a rigorous derivation of the effective medium model for a random arrangement of mass-spring oscillators on an elastic half-space using elastodynamic surface Green's function formalism. We will see that the model equating the local surface displacement to the effective medium displacement is indeed valid if the spring constant of the oscillators is modified to include the stiffness of the contact calculated in the quasistatic approximation. In the case of contact vibrations of microspheres, this means using the spring constant calculated using the Hertzian contact model. Thus the results obtained in the prior work were correct despite the apparent inconsistencies in the model. The presented analysis will provide a solid foundation for effective medium models used to describe dynamics of microparticle arrays adhered to a solid substrate. This work was supported by the U. S. Army Research Office through the Institute for Soldier Nanotechnologies under Grant W911NF-13-D-0001.

Effect of the Rate of Hot Compressive Deformation on the Kinetics of Dynamic and Static Recrystallization of Novel Medium-Carbon Medium-Alloy Steel

NASA Astrophysics Data System (ADS)

Khlusova, E. I.; Zisman, A. A.; Knyazyuk, T. V.; Novoskol'tsev, N. N.

2018-03-01

Dynamic and static recrystallization occurring under hot deformation at a rate of 1 and 100 sec - 1 in high-strength medium-carbon wear-resistant steels developed at CRISM "Prometey" for die forming of parts of driven elements of tillage machines is studied. The critical strain of dynamic recrystallization and the threshold temperatures and times of finish of static recrystallization are determined for the studied deformation rates at various temperatures.

Nonlinear Dynamics of Biofilm Growth on Sediment Surfaces

NASA Astrophysics Data System (ADS)

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

2013-12-01

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

Characterizing heterogeneous dynamics at hydrated electrode surfaces.

PubMed

Willard, Adam P; Limmer, David T; Madden, Paul A; Chandler, David

2013-05-14

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

Characterizing heterogeneous dynamics at hydrated electrode surfaces

NASA Astrophysics Data System (ADS)

Willard, Adam P.; Limmer, David T.; Madden, Paul A.; Chandler, David

2013-05-01

In models of Pt 111 and Pt 100 surfaces in water, motions of molecules in the first hydration layer are spatially and temporally correlated. To interpret these collective motions, we apply quantitative measures of dynamic heterogeneity that are standard tools for considering glassy systems. Specifically, we carry out an analysis in terms of mobility fields and distributions of persistence times and exchange times. In so doing, we show that dynamics in these systems is facilitated by transient disorder in frustrated two-dimensional hydrogen bonding networks. The frustration is the result of unfavorable geometry imposed by strong metal-water bonding. The geometry depends upon the structure of the underlying metal surface. Dynamic heterogeneity of water on the Pt 111 surface is therefore qualitatively different than that for water on the Pt 100 surface. In both cases, statistics of this ad-layer dynamic heterogeneity responds asymmetrically to applied voltage.

Dusty Plasma Dynamics Near Surfaces in Space

NASA Technical Reports Server (NTRS)

Colwell, Joshua E.; Robertson, S.; Horanyi, M.; Nahra, Henry (Technical Monitor)

1998-01-01

The investigation 'Dusty Plasma Dynamics Near Surfaces in Space' is an experimental and theoretical study of the dynamics of dust particles on airless bodies in the solar system in the presence of a photoelectron sheath generated by solar ultraviolet light impinging on the surface. Solar UV illumination of natural and manmade surfaces in space produces photoelectrons which form a plasma sheath near the surface. Dust particles on the surface acquire a charge and may be transported by electric fields in the photoelectron sheath generated by inhomogeneities in the surface or the illumination (such as shadows). The sheath itself has a finite vertical extent leading to (at least) an electric field normal to the illuminated surface. If dust particles are launched from the surface by some other process, such as meteoroid impact, or spacecraft activity on the surface, these grains become charged and move under the influence of gravity and the electric field. This can give rise to suspension of the particles above the surface, loss from the parent body entirely (if accelerated beyond escape velocity), and a different distribution of dust ejecta from what would be expected with purely gravitational dynamics.

An On-the-Fly Surface-Hopping Program JADE for Nonadiabatic Molecular Dynamics of Polyatomic Systems: Implementation and Applications.

PubMed

Du, Likai; Lan, Zhenggang

2015-04-14

Nonadiabatic dynamics simulations have rapidly become an indispensable tool for understanding ultrafast photochemical processes in complex systems. Here, we present our recently developed on-the-fly nonadiabatic dynamics package, JADE, which allows researchers to perform nonadiabatic excited-state dynamics simulations of polyatomic systems at an all-atomic level. The nonadiabatic dynamics is based on Tully's surface-hopping approach. Currently, several electronic structure methods (CIS, TDHF, TDDFT(RPA/TDA), and ADC(2)) are supported, especially TDDFT, aiming at performing nonadiabatic dynamics on medium- to large-sized molecules. The JADE package has been interfaced with several quantum chemistry codes, including Turbomole, Gaussian, and Gamess (US). To consider environmental effects, the Langevin dynamics was introduced as an easy-to-use scheme into the standard surface-hopping dynamics. The JADE package is mainly written in Fortran for greater numerical performance and Python for flexible interface construction, with the intent of providing open-source, easy-to-use, well-modularized, and intuitive software in the field of simulations of photochemical and photophysical processes. To illustrate the possible applications of the JADE package, we present a few applications of excited-state dynamics for various polyatomic systems, such as the methaniminium cation, fullerene (C20), p-dimethylaminobenzonitrile (DMABN) and its primary amino derivative aminobenzonitrile (ABN), and 10-hydroxybenzo[h]quinoline (10-HBQ).

Extraction of near-surface properties for a lossy layered medium using the propagator matrix

USGS Publications Warehouse

Mehta, K.; Snieder, R.; Graizer, V.

2007-01-01

Near-surface properties play an important role in advancing earthquake hazard assessment. Other areas where near-surface properties are crucial include civil engineering and detection and delineation of potable groundwater. From an exploration point of view, near-surface properties are needed for wavefield separation and correcting for the local near-receiver structure. It has been shown that these properties can be estimated for a lossless homogeneous medium using the propagator matrix. To estimate the near-surface properties, we apply deconvolution to passive borehole recordings of waves excited by an earthquake. Deconvolution of these incoherent waveforms recorded by the sensors at different depths in the borehole with the recording at the surface results in waves that propagate upwards and downwards along the array. These waves, obtained by deconvolution, can be used to estimate the P- and S-wave velocities near the surface. As opposed to waves obtained by cross-correlation that represent filtered version of the sum of causal and acausal Green's function between the two receivers, the waves obtained by deconvolution represent the elements of the propagator matrix. Finally, we show analytically the extension of the propagator matrix analysis to a lossy layered medium for a special case of normal incidence. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

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.

Surface-peaked medium effects in the interaction of nucleons with finite nuclei

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

Aguayo, F. J.; Arellano, H. F.

We investigate the asymptotic separation of the optical model potential for nucleon-nucleus scattering in momentum space, where the potential is split into a medium-independent term and another depending exclusively on the gradient of the density-dependent g matrix. This decomposition confines the medium sensitivity of the nucleon-nucleus coupling to the surface of the nucleus. We examine this feature in the context of proton-nucleus scattering at beam energies between 30 and 100 MeV and find that the pn coupling accounts for most of this sensitivity. Additionally, based on this general structure of the optical potential we are able to treat both, themore » medium dependence of the effective interaction and the full mixed density as described by single-particle shell models. The calculated scattering observables agree within 10% with those obtained by Arellano, Brieva, and Love in their momentum-space g-folding approach.« less

Effective interactions and dynamics of small passive particles in an active bacterial medium

NASA Astrophysics Data System (ADS)

Semeraro, Enrico F.; Devos, Juliette M.; Narayanan, Theyencheri

2018-05-01

This article presents an investigation of the interparticle interactions and dynamics of submicron silica colloids suspended in a bath of motile Escherichia coli bacteria. The colloidal microstructure and dynamics were probed by ultra-small-angle x-ray scattering and multi-speckles x-ray photon correlation spectroscopy, respectively. Both static and hydrodynamic interactions were obtained for different colloid volume fractions and bacteria concentrations as well as when the interparticle interaction potential was modified by the motility buffer. Results suggest that motile bacteria reduce the effective attractive interactions between passive colloids and enhance their dynamics at high colloid volume fractions. The enhanced dynamics under different static interparticle interactions can be rationalized in terms of an effective viscosity of the medium and unified by means of an empirical effective temperature of the system. While the influence of swimming bacteria on the colloid dynamics is significantly lower for small particles, the role of motility buffer on the static and dynamic interactions becomes more pronounced.

Modulators of heterogeneous protein surface water dynamics

NASA Astrophysics Data System (ADS)

Han, Songi

The hydration water that solvates proteins is a major factor in driving or enabling biological events, including protein-protein and protein-ligand interactions. We investigate the role of the protein surface in modulating the hydration water fluctuations on both the picosecond and nanosecond timescale with an emerging experimental NMR technique known as Overhauser Dynamic Nuclear Polarization (ODNP). We carry out site-specific ODNP measurements of the hydration water fluctuations along the surface of Chemotaxis Y (CheY), and correlate the measured fluctuations to hydropathic and topological properties of the CheY surface as derived from molecular dynamics (MD) simulation. Furthermore, we compare hydration water fluctuations measured on the CheY surface to that of other globular proteins, as well as intrinsically disordered proteins, peptides, and liposome surfaces to systematically test characteristic effects of the biomolecular surface on the hydration water dynamics. Our results suggest that the labile (ps) hydration water fluctuations are modulated by the chemical nature of the surface, while the bound (ns) water fluctuations are present on surfaces that feature a rough topology and chemical heterogeneity such as the surface of a folded and structured protein. In collaboration with: Ryan Barnes, Dept of Chemistry and Biochemistry, University of California Santa Barbara

Report of the analysis of the joint medium range air to surface missile program

NASA Astrophysics Data System (ADS)

1980-01-01

The objective of this effort completed between July, 1979 and January, 1980 was to investigate technical alternatives and make recommendations concerning management approaches to accomplish the project goals. The purpose of this report is to formalize those recommendations and to identify future courses of action alternatives. The basic concepts incorporated in a supersonic stand-off, air-to-surface missile have existed in Navy advance planning for many years. Navy action on this concept was formalized in 1967 with the decision to initiate a funded technology program to produce a system technology prototype of an advance tactical stand-off missile. Parallel development of propulsion, guidance, and other subsystem technologies conducted by the Air Force, industry, and other countries have also contributed to the current technology base. In May 1978, the Chief of Naval Operations established a requirement for a survivable medium range air-to-surface missile with the issuance of operational requirement W-0650-TW, 'Medium Range Air-to-Surface Missile'. The requirements delineate the need for an offensive air-to-surface missile that can penetrate and survive against defenses expected to be encountered in the 80's and 90's.

The Shock and Vibration Bulletin. Part 3: Structure Medium Interaction, Case Studies in Dynamics

NASA Technical Reports Server (NTRS)

1979-01-01

Structure and medium interactions topics are addressed. Topics include: a failure analysis of underground concrete structures subjected to blast loadings, an optimization design procedure for concrete slabs, and a discussion of the transient response of a cylindrical shell submerged in a fluid. Case studies in dynamics are presented which include an examination of a shock isolation platform for a seasparrow launcher, a discussion of hydrofoil fatigue load environments, and an investigation of the dynamic characteristics of turbine generators and low tuned foundations.

Experimental investigation of clogging dynamics in homogeneous porous medium

NASA Astrophysics Data System (ADS)

Shen, Jikang; Ni, Rui

2017-03-01

A 3-D refractive-index matching Lagrangian particle tracking (3D-RIM-LPT) system was developed to study the filtration and the clogging process inside a homogeneous porous medium. A small subset of particles flowing through the porous medium was dyed and tracked. As this subset was randomly chosen, its dynamics is representative of all the rest. The statistics of particle locations, number, and velocity were obtained as functions of different volumetric concentrations. It is found that in our system the clogging time decays with the particle concentration following a power law relationship. As the concentration increases, there is a transition from depth filtration to cake filtration. At high concentration, more clogged pores lead to frequent flow redirections and more transverse migrations of particles. In addition, the velocity distribution in the transverse direction is symmetrical around zero, and it is slightly more intermittent than the random Gaussian curve due to particle-particle and particle-grain interactions. In contrast, as clogging develops, the longitudinal velocity of particles along the mean flow direction peaks near zero because of many trapped particles. But at the same time, the remaining open pores will experience larger pressure and, as a result, particles through those pores tend to have larger longitudinal velocities.

Optimization of a cryoprotective medium to increase the viability of freeze-dried Streptococcus thermophilus by response surface methodology

USDA-ARS?s Scientific Manuscript database

Streptococcus thermophilus normally exhibits different survival rates in different bacteria medium during freeze-drying. In this study, response surface methodology (RSM) was applied on the design of experiments for optimizing the cryoprotective medium. Results showed that the most significant facto...

Effects of storage medium and UV photofunctionalization on time-related changes of titanium surface characteristics and biocompatibility.

PubMed

Shen, Jian-Wei; Chen, Yun; Yang, Guo-Li; Wang, Xiao-Xiang; He, Fu-Ming; Wang, Hui-Ming

2016-07-01

Storage in aqueous solution and ultraviolet (UV) photofunctionalization are two applicable methods to overcome the biological aging and increase the bioactivity of titanium. As information regarding the combined effects of storage medium and UV photofunctionalization has never been found in published literatures, this study focused on whether appropriate storage methods and UV photofunctionalization have synergistic effects on the biological properties of aged titanium surfaces. Titanium plates and discs were sandblasted and acid etched and then further prepared in five different modes as using different storage mediums (air or dH2 O) for 4 weeks and then with or without UV treatment. The surface characteristics were evaluated with scanning electron microscopy, contact angle measurements, and X-ray photoelectron spectroscopy. MC3T3-E1 cells were cultured on the surfaces, and cellular morphology, proliferation, alkaline phosphatase activity, and osteocalcin release were evaluated. The results showed that nanostructures were observed on water-stored titanium surfaces with a size of about 15 × 20 nm(2) . UV treatment was effective to remove the hydrocarbon contamination on titanium surfaces stored in either air or water. UV photofunctionalization further enhanced the already increased bioactivity of modSLA on initial cell attachment, proliferation, alkaline phosphatase activity, and osteocalcin release. Overall, UV photofunctionalization was effective in further enhancing the already increased bioactivity by using dH2 O as storage medium, and the effect of UV treatment was much more overwhelming than that of the storage medium. © 2015 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 104B: 932-940, 2016. © 2015 Wiley Periodicals, Inc.

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

Medium optimization for ε-poly-L-lysine production by Streptomyces diastatochromogenes using response surface methodology.

PubMed

Guo, F; Zheng, H; Cheng, Y; Song, S; Zheng, Z; Jia, S

2018-02-01

Poly-ε-L-lysine is a natural homo-polyamide of L-lysine with excellent antimicrobial properties, which can be used as a novel preservative and has a wide range of applications. In this paper, the fermentation medium for ε-PL production by Streptomyces diastatochromogenes 6#-7 was optimized by Response Surface Methodology. The results of Plackett-Burman design showed that glucose, yeast extract and (NH 4 ) 2 SO 4 were the major influencing factors in ε-PL production of S. diastatochromogenes 6#-7. The optimal concentrations of glucose, yeast extract and (NH 4 ) 2 SO 4 were determined to be 60, 7·5 and 7·5 g l -1 according to Box-Behnken experiment and regression analysis, respectively. Under the optimized conditions, the ε-PL yield in shake-flask fermentation was 0·948 ± 0·030 g l -1 , which was in good agreement with the predicted value of 0·970 g l -1 . The yield was improved by 43·1% from that with the initial medium. In 5 l jar-fermenter the ε-PL yield reached 25·5 g l -1 , which was increased by 56·4% from the original medium. In addition, the fermentation time was reduced from 174 to 120 h. Medium optimization is a very practical and valuable tool for fermentation industry to improve product yield and minimize by-products as well as reduce overall manufacturing costs. The response surface methodology is not new, but it is still a very effective method in medium optimization research. This study used ε-polylysine fermentation as an example to demonstrate how the product yield can be significantly increased by medium optimization through surface response methodology. Similar approach can be used in other microbial fermentations such as in pharmaceutical, food, agricultural and energy industries. As an example, ε-polylysine is one of a few newly approved natural food-grade antimicrobials for food and beverages preservations. Yield improvement is economically beneficial to not only ε-polylysine manufacturers but also to their users and

Laser-induced surface modification of metals and alloys in liquid argon medium

NASA Astrophysics Data System (ADS)

Kazakevich, V. S.; Kazakevich, P. V.; Yaresko, P. S.; Kamynina, D. A.

2016-08-01

Micro and nanostructuring of metals and alloys surfaces (Ti, Mo, Ni, T30K4) was considered by subnanocosecond laser radiation in stationary and dynamic mode in the liquid argon, ethanol and air. Depending of structures size on the samples surface from the energy density and the number of pulses were built. Non-periodic (NSS) and periodic (PSS) surface structures with periods about λ-λ/2 were obtained. PSS formation took place as at the target surface so at the NSS surface.

Mapping Impervious Surface Expansion using Medium-resolution Satellite Image Time Series: A Case Study in the Yangtze River Delta, China

NASA Technical Reports Server (NTRS)

Gao, Feng; DeColstoun, Eric Brown; Ma, Ronghua; Weng, Qihao; Masek, Jeffrey G.; Chen, Jin; Pan, Yaozhong; Song, Conghe

2012-01-01

Cities have been expanding rapidly worldwide, especially over the past few decades. Mapping the dynamic expansion of impervious surface in both space and time is essential for an improved understanding of the urbanization process, land-cover and land-use change, and their impacts on the environment. Landsat and other medium-resolution satellites provide the necessary spatial details and temporal frequency for mapping impervious surface expansion over the past four decades. Since the US Geological Survey opened the historical record of the Landsat image archive for free access in 2008, the decades-old bottleneck of data limitation has gone. Remote-sensing scientists are now rich with data, and the challenge is how to make best use of this precious resource. In this article, we develop an efficient algorithm to map the continuous expansion of impervious surface using a time series of four decades of medium-resolution satellite images. The algorithm is based on a supervised classification of the time-series image stack using a decision tree. Each imerpervious class represents urbanization starting in a different image. The algorithm also allows us to remove inconsistent training samples because impervious expansion is not reversible during the study period. The objective is to extract a time series of complete and consistent impervious surface maps from a corresponding times series of images collected from multiple sensors, and with a minimal amount of image preprocessing effort. The approach was tested in the lower Yangtze River Delta region, one of the fastest urban growth areas in China. Results from nearly four decades of medium-resolution satellite data from the Landsat Multispectral Scanner (MSS), Thematic Mapper (TM), Enhanced Thematic Mapper plus (ETM+) and China-Brazil Earth Resources Satellite (CBERS) show a consistent urbanization process that is consistent with economic development plans and policies. The time-series impervious spatial extent maps derived

Study of drug concentration effects on in vitro lipolysis kinetics in medium-chain triglycerides by considering oil viscosity and surface tension.

PubMed

Arnold, Yvonne Elisabeth; Imanidis, Georgios; Kuentz, Martin

2011-10-09

Simple oil formulations are widely used in oral drug delivery and the fate of these systems is governed mainly by the dispersion and digestion process. The current work aimed to study concentration effects of six poorly water-soluble drugs on the in vitro lipolysis rate of medium-chain triglycerides. The results were compared with drug effects on oil viscosity and surface tension. First the different drugs were characterized by molecular modeling and their influence on physical oil properties was assessed. Herein capillary viscosimetry was employed as well as dynamic surface tensiometry. Subsequently, an apparent in vitro lipolysis rate was determined in biorelevant medium using an automated pH stat titrator linked to a thermo-controlled vessel. The different drugs exhibited varying effects on oil viscosity and surface tension. However, all drugs significantly lowered the apparent lipolysis rate of the oil. This effect was very similar among the different compounds with exception of orlistat, which practically blocked lipolysis because of a potent direct inhibition. The other drugs affected lipolysis kinetics most likely by different mechanism(s). In light of the obtained results, a drug effect on oil viscosity or surface tension appeared to play a minor role in reducing the lipolysis rate. The lipolysis kinetics was further not affected by the drug load, which was deemed advantageous from a pharmaceutical viewpoint. Different dose strengths are therefore not assumed to alter lipolysis kinetics, which is beneficial for limiting the variability of in vivo drug release. Further studies of drug solubility kinetics in the evolving digestion phases are, however, needed to finally assess potential effects of dosage strength in simple oil formulations. Copyright © 2011. Published by Elsevier B.V.

A generalised porous medium approach to study thermo-fluid dynamics in human eyes.

PubMed

Mauro, Alessandro; Massarotti, Nicola; Salahudeen, Mohamed; Romano, Mario R; Romano, Vito; Nithiarasu, Perumal

2018-03-22

The present work describes the application of the generalised porous medium model to study heat and fluid flow in healthy and glaucomatous eyes of different subject specimens, considering the presence of ocular cavities and porous tissues. The 2D computational model, implemented into the open-source software OpenFOAM, has been verified against benchmark data for mixed convection in domains partially filled with a porous medium. The verified model has been employed to simulate the thermo-fluid dynamic phenomena occurring in the anterior section of four patient-specific human eyes, considering the presence of anterior chamber (AC), trabecular meshwork (TM), Schlemm's canal (SC), and collector channels (CC). The computational domains of the eye are extracted from tomographic images. The dependence of TM porosity and permeability on intraocular pressure (IOP) has been analysed in detail, and the differences between healthy and glaucomatous eye conditions have been highlighted, proving that the different physiological conditions of patients have a significant influence on the thermo-fluid dynamic phenomena. The influence of different eye positions (supine and standing) on thermo-fluid dynamic variables has been also investigated: results are presented in terms of velocity, pressure, temperature, friction coefficient and local Nusselt number. The results clearly indicate that porosity and permeability of TM are two important parameters that affect eye pressure distribution. Graphical abstract Velocity contours and vectors for healthy eyes (top) and glaucomatous eyes (bottom) for standing position.

Electrostatic cloaking of surface structure for dynamic wetting

NASA Astrophysics Data System (ADS)

Shiomi, Junichiro; Nita, Satoshi; Do-Quang, Minh; Wang, Jiayu; Chen, Yu-Chung; Suzuki, Yuji; Amberg, Gustav

2017-11-01

Dynamic wetting problems are fundamental to the understanding of the interaction between liquids and solids. Even in a superficially simple experimental situation, such as a droplet spreading over a dry surface, the result may depend not only on the liquid properties but also strongly on the substrate-surface properties; even for macroscopically smooth surfaces, the microscopic geometrical roughness can be important. In addition, as surfaces may often be naturally charged, or electric fields are used to manipulate fluids, electric effects are crucial components that influence wetting phenomena. Here we investigate the interplay between electric forces and surface structures in dynamic wetting. While surface microstructures can significantly hinder the spreading, we find that the electrostatics can ``cloak'' the microstructures, i.e. deactivate the hindering. We identify the physics in terms of reduction in contact-line friction, which makes the dynamic wetting inertial force dominant and insensitive to the substrate properties. This work was financially supported in part by, the Japan Society for the Promotion of Science, Swedish Governmental Agency for Innovation Systems, and the Japan Science and Technology Agency.

Functional dynamics of cell surface membrane proteins

NASA Astrophysics Data System (ADS)

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

2014-04-01

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

Ordering dynamics of self-propelled particles in an inhomogeneous medium

NASA Astrophysics Data System (ADS)

Das, Rakesh; Mishra, Shradha; Puri, Sanjay

2018-02-01

Ordering dynamics of self-propelled particles in an inhomogeneous medium in two dimensions is studied. We write coarse-grained hydrodynamic equations of motion for density and polarisation fields in the presence of an external random disorder field, which is quenched in time. The strength of inhomogeneity is tuned from zero disorder (clean system) to large disorder. In the clean system, the polarisation field grows algebraically as LP ∼ t0.5 . The density field does not show clean power-law growth; however, it follows Lρ ∼ t0.8 approximately. In the inhomogeneous system, we find a disorder-dependent growth. For both the density and the polarisation, growth slows down with increasing strength of disorder. The polarisation shows a disorder-dependent power-law growth LP(t,Δ) ∼ t1/\\bar zP(Δ) for intermediate times. At late times, there is a crossover to logarithmic growth LP(t,Δ) ∼ (\\ln t)1/\\varphi , where φ is a disorder-independent exponent. Two-point correlation functions for the polarisation show dynamical scaling, but the density does not.

The short- to medium-term predictive accuracy of static and dynamic risk assessment measures in a secure forensic hospital.

PubMed

Chu, Chi Meng; Thomas, Stuart D M; Ogloff, James R P; Daffern, Michael

2013-04-01

Although violence risk assessment knowledge and practice has advanced over the past few decades, it remains practically difficult to decide which measures clinicians should use to assess and make decisions about the violence potential of individuals on an ongoing basis, particularly in the short to medium term. Within this context, this study sought to compare the predictive accuracy of dynamic risk assessment measures for violence with static risk assessment measures over the short term (up to 1 month) and medium term (up to 6 months) in a forensic psychiatric inpatient setting. Results showed that dynamic measures were generally more accurate than static measures for short- to medium-term predictions of inpatient aggression. These findings highlight the necessity of using risk assessment measures that are sensitive to important clinical risk state variables to improve the short- to medium-term prediction of aggression within the forensic inpatient setting. Such knowledge can assist with the development of more accurate and efficient risk assessment procedures, including the selection of appropriate risk assessment instruments to manage and prevent the violence of offenders with mental illnesses during inpatient treatment.

Nanomechanical effects of light unveil photons momentum in medium

PubMed Central

Verma, Gopal; Chaudhary, Komal; Singh, Kamal P.

2017-01-01

Precision measurement on momentum transfer between light and fluid interface has many implications including resolving the intriguing nature of photons momentum in a medium. For example, the existence of Abraham pressure of light under specific experimental configuration and the predictions of Chau-Amperian formalism of optical momentum for TE and TM polarizations remain untested. Here, we quantitatively and cleanly measure nanomehanical dynamics of water surface excited by radiation pressure of a laser beam. We systematically scanned wide range of experimental parameters including long exposure times, angle of incidence, spot size and laser polarization, and used two independent pump-probe techniques to validate a nano- bump on the water surface under all the tested conditions, in quantitative agreement with the Minkowski’s momentum of light. With careful experiments, we demonstrate advantages and limitations of nanometer resolved optical probing techniques and narrow down actual manifestation of optical momentum in a medium. PMID:28198468

Surface waves on multilayer hyperbolic metamaterials: Operator approach to effective medium approximation

NASA Astrophysics Data System (ADS)

Popov, Vladislav; Lavrinenko, Andrei V.; Novitsky, Andrey

2018-03-01

In this paper, we elaborate on the operator effective medium approximation developed recently in Popov et al. [Phys. Rev. B 94, 085428 (2016), 10.1103/PhysRevB.94.085428] to get insight into the surface polariton excitation at the interface of a multilayer hyperbolic metamaterial (HMM). In particular, we find that HMMs with bilayer unit cells support the TE- and TM-polarized surface waves beyond the Maxwell Garnett approximation due to the spatial dispersion interpreted as effective magnetoelectric coupling. The latter is also responsible for the dependence of surface wave propagation on the order of layers in the unit cell. Elimination of the magnetoelectric coupling in three-layer unit cells complying with inversion symmetry restores the qualitative regularity of the Maxwell Garnett approximation, as well as strongly suppresses the influence of the order of layers in the unit cell.

Functional dynamics of cell surface membrane proteins.

PubMed

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

2014-04-01

Cell surface receptors are integral membrane proteins that receive external stimuli, and transmit signals across plasma membranes. In the conventional view of receptor activation, ligand binding to the extracellular side of the receptor induces conformational changes, which convert the structure of the receptor into an active conformation. However, recent NMR studies of cell surface membrane proteins have revealed that their structures are more dynamic than previously envisioned, and they fluctuate between multiple conformations in an equilibrium on various timescales. In addition, NMR analyses, along with biochemical and cell biological experiments indicated that such dynamical properties are critical for the proper functions of the receptors. In this review, we will describe several NMR studies that revealed direct linkage between the structural dynamics and the functions of the cell surface membrane proteins, such as G-protein coupled receptors (GPCRs), ion channels, membrane transporters, and cell adhesion molecules. Copyright © 2013 Elsevier Inc. All rights reserved.

Instant Variations in Velocity and Attenuation of Seismic Waves in a Friable Medium Under a Vibrational Dynamic Loading

NASA Astrophysics Data System (ADS)

Geza, N.; Yushin, V.

2007-12-01

Instant variations of the velocities and attenuation of seismic waves in a friable medium subjected to dynamic loading have been studied by new experimental techniques using a powerful seismic vibrator. The half-space below the operating vibrator baseplate was scanned by high-frequency elastic waves, and the recorded fluctuations were exposed to a stroboscopic analysis. It was found that the variations of seismic velocities and attenuation are synchronous with the external vibrational load but have phase shift from it. Instant variations of the seismic waves parameters depend on the magnitude and absolute value of deformation, which generally result in decreasing of the elastic-wave velocities. New experimental techniques have a high sensitivity to the dynamic disturbance in the medium and allow one to detect a weak seismic boundaries. The relaxation process after dynamic vibrational loading were investigated and the results of research are presented.

Land Surface Microwave Emissivity Dynamics: Observations, Analysis and Modeling

NASA Technical Reports Server (NTRS)

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

2014-01-01

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

Investigating the dynamics of surface-immobilized DNA nanomachines

NASA Astrophysics Data System (ADS)

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

2016-07-01

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

Investigating the dynamics of surface-immobilized DNA nanomachines

PubMed Central

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

2016-01-01

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

Ejection of Particles from the Free Surface of Shock-Loaded Lead into Vacuum and Gas Medium

NASA Astrophysics Data System (ADS)

Ogorodnikov, V. A.; Mikhailov, A. L.; Erunov, S. V.; Antipov, M. V.; Fedorov, A. V.; Syrunin, M. A.; Kulakov, E. V.; Kleshchevnikov, O. A.; Yurtov, I. V.; Utenkov, A. A.; Finyushin, S. A.; Chudakov, E. A.; Kalashnikov, D. A.; Pupkov, A. S.; Chapaev, A. V.; Mishanov, A. V.; Glushikhin, V. V.; Fedoseev, A. V.; Tagirov, R. R.; Kostyukov, S. A.; Tagirova, I. Yu.; Saprykina, E. V.

2017-12-01

The presence and behavior of a gas-metal interfacial layer at the free surface of shock-wave driven flying vehicles in gases of various compositions and densities has not been sufficiently studied so far. We present new comparative data on "dusting" from the free surface of lead into vacuum and gas as dependent on the surface roughness, pressure amplitude at the shock-wave front, and phase state of the material. Methods of estimating the mass flux of ejected particles in the presence of a gas medium at the free metal surface are proposed.

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.

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.

Some fundamental properties and reactions of ice surfaces at low temperatures.

PubMed

Park, Seong-Chan; Moon, Eui-Seong; Kang, Heon

2010-10-14

Ice surfaces offer a unique chemical environment in which reactions occur quite differently from those in liquid water or gas phases. In this article, we examine the basic properties of ice surfaces below the surface premelting temperature and discuss some of the recent investigations carried out on reactions at the ice surfaces. The static and dynamic properties of an ice surface as a reaction medium, such as its structure, molecule diffusion and proton transfer dynamics, and the surface preference of hydronium and hydroxide ions, are discussed in relation to the reactivity of the surface.

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).

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

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

Vortex-Surface Interactions: Vortex Dynamics and Instabilities

DTIC Science & Technology

2015-10-16

31 May 2015 4. TITLE AND SUBTITLE VORTEX -SURFACE INTERACTIONS: VORTEX DYNAMICS AND INSTABILITIES Sa. CONTRACT NUMBER Sb. GRANT NUMBER N00014-12...new natural instabilities coming from vortex - vortex or vortex -surface interactions, but also ultimately the possibility to control these flows...design of vortex generators to modify surface pressures. We find a short wave instability of the secondary vortices that are created by the

Dynamics of unstable sound waves in a non-equilibrium medium at the nonlinear stage

NASA Astrophysics Data System (ADS)

Khrapov, Sergey; Khoperskov, Alexander

2018-03-01

A new dispersion equation is obtained for a non-equilibrium medium with an exponential relaxation model of a vibrationally excited gas. We have researched the dependencies of the pump source and the heat removal on the medium thermodynamic parameters. The boundaries of sound waves stability regions in a non-equilibrium gas have been determined. The nonlinear stage of sound waves instability development in a vibrationally excited gas has been investigated within CSPH-TVD and MUSCL numerical schemes using parallel technologies OpenMP-CUDA. We have obtained a good agreement of numerical simulation results with the linear perturbations dynamics at the initial stage of the sound waves growth caused by instability. At the nonlinear stage, the sound waves amplitude reaches the maximum value that leads to the formation of shock waves system.

Wear Behavior of Medium Carbon Steel with Biomimetic Surface Under Starved Lubricated Conditions

NASA Astrophysics Data System (ADS)

Zhang, Zhihui; Shao, Feixian; Liang, Yunhong; Lin, Pengyu; Tong, Xin; Ren, Luquan

2017-07-01

Friction and wear under starved lubrication condition are both key life-related factors for mechanical performance of many structural parts. In this paper, different surface morphologies on medium carbon steel were fabricated using laser, inspired by the surface coupling effect of biological system. The friction and sliding wear behaviors of biomimetic specimens (characterized by convex and concave units on the specimen surface) were studied under starved lubrication condition. The stress distribution on different sliding surfaces under sliding friction was studied using finite element method. The results showed that the tribological performance of studied surfaces under starved lubrication condition depended not only on the surface morphology but also on the structure of biomimetic units below surface (subsurface structure). The friction coefficient of biomimetic surface was effectively reduced by the concave unit depth, while the refined microstructure with higher hardness led to the much better wear resistance. In addition to lubricant reserving and wear debris trapping effect derived from the surface concave morphology, it was believed that the well-formed subsurface structure of biomimetic units could carry much heavy loads against tribopair, which enhanced the function of surface topography and resulted in complementary lubrication in the wear contact area. The uniform stress distribution on the entire biomimetic surface also played an important role in stabilizing the friction coefficient and reducing the wear cracks.

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.

Acoustic propagation operators for pressure waves on an arbitrarily curved surface in a homogeneous medium

NASA Astrophysics Data System (ADS)

Sun, Yimin; Verschuur, Eric; van Borselen, Roald

2018-03-01

The Rayleigh integral solution of the acoustic Helmholtz equation in a homogeneous medium can only be applied when the integral surface is a planar surface, while in reality almost all surfaces where pressure waves are measured exhibit some curvature. In this paper we derive a theoretically rigorous way of building propagation operators for pressure waves on an arbitrarily curved surface. Our theory is still based upon the Rayleigh integral, but it resorts to matrix inversion to overcome the limitations faced by the Rayleigh integral. Three examples are used to demonstrate the correctness of our theory - propagation of pressure waves acquired on an arbitrarily curved surface to a planar surface, on an arbitrarily curved surface to another arbitrarily curved surface, and on a spherical cap to a planar surface, and results agree well with the analytical solutions. The generalization of our method for particle velocities and the calculation cost of our method are also discussed.

Optical characterization of randomly microrough surfaces covered with very thin overlayers using effective medium approximation and Rayleigh-Rice theory

NASA Astrophysics Data System (ADS)

Ohlídal, Ivan; Vohánka, Jiří; Čermák, Martin; Franta, Daniel

2017-10-01

The modification of the effective medium approximation for randomly microrough surfaces covered by very thin overlayers based on inhomogeneous fictitious layers is formulated. The numerical analysis of this modification is performed using simulated ellipsometric data calculated using the Rayleigh-Rice theory. The system used to perform this numerical analysis consists of a randomly microrough silicon single crystal surface covered with a SiO2 overlayer. A comparison to the effective medium approximation based on homogeneous fictitious layers is carried out within this numerical analysis. For ellipsometry of the system mentioned above the possibilities and limitations of both the effective medium approximation approaches are discussed. The results obtained by means of the numerical analysis are confirmed by the ellipsometric characterization of two randomly microrough silicon single crystal substrates covered with native oxide overlayers. It is shown that the effective medium approximation approaches for this system exhibit strong deficiencies compared to the Rayleigh-Rice theory. The practical consequences implied by these results are presented. The results concerning the random microroughness are verified by means of measurements performed using atomic force microscopy.

Optimization of a natural medium for cellulase by a marine Aspergillus niger using response surface methodology.

PubMed

Xue, Dong-Sheng; Chen, Hui-Yin; Lin, Dong-Qiang; Guan, Yi-Xin; Yao, Shan-Jing

2012-08-01

The components of a natural medium were optimized to produce cellulase from a marine Aspergillus niger under solid state fermentation conditions by response surface methodology. Eichhornia crassipes and natural seawater were used as a major substrate and a source of mineral salts, respectively. Mineral salts of natural seawater could increase cellulase production. Raw corn cob and raw rice straw showed a significant positive effect on cellulase production. The optimum natural medium consisted of 76.9 % E. crassipes (w/w), 8.9 % raw corn cob (w/w), 3.5 % raw rice straw (w/w), 10.7 % raw wheat bran (w/w), and natural seawater (2.33 times the weight of the dry substrates). Incubation for 96 h in the natural medium increased the biomass to the maximum. The cellulase production was 17.80 U/g the dry weight of substrates after incubation for 144 h. The natural medium avoided supplying chemicals and pretreating substrates. It is promising for future practical fermentation of environment-friendly producing cellulase.

Surface structure determines dynamic wetting.

PubMed

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

2015-02-16

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

N-body dynamics on closed surfaces: the axioms of mechanics

PubMed Central

Dritschel, David G.; Schaefer, Rodrigo G.

2016-01-01

A major challenge for our understanding of the mathematical basis of particle dynamics is the formulation of N-body and N-vortex dynamics on Riemann surfaces. In this paper, we show how the two problems are, in fact, closely related when considering the role played by the intrinsic geometry of the surface. This enables a straightforward deduction of the dynamics of point masses, using recently derived results for point vortices on general closed differentiable surfaces M endowed with a metric g. We find, generally, that Kepler's Laws do not hold. What is more, even Newton's First Law (the law of inertia) fails on closed surfaces with variable curvature (e.g. the ellipsoid). PMID:27616915

Hot Deformation Behavior and Dynamic Recrystallization of Medium Carbon LZ50 Steel

NASA Astrophysics Data System (ADS)

Du, Shiwen; Chen, Shuangmei; Song, Jianjun; Li, Yongtang

2017-03-01

Hot deformation and dynamic recrystallization behaviors of a medium carbon steel LZ50 were systematically investigated in the temperature range from 1143 K to 1443 K (870 °C to 1170 °C) at strain rates from 0.05 to 3s-1 using a Gleeble-3500 thermo-simulation machine. The flow stress constitutive equation for hot deformation of this steel was developed with the two-stage Laasraoui equation. The activation energy of the tested steel was 304.27 KJ/mol, which was in reasonable agreement with those reported previously. The flow stress of this steel in hot deformation was mainly controlled by dislocation climb during their intragranular motion. The effect of Zener-Hollomon parameter on the characteristic points of the flow curves was studied, and the dependence of critical strain on peak strain obeyed a linear equation. Dynamic recrystallization was the most important softening mechanism for the tested steel during hot deformation. Kinetic equation of this steel was also established based on the flow stress. The austenite grain size of complete dynamic recrystallization was a power law function of Zener-Hollomon parameter with an exponent of -0.2956. Moreover, the microstructures induced under different deformation conditions were analyzed.

Bayesian inversion analysis of nonlinear dynamics in surface heterogeneous reactions.

PubMed

Omori, Toshiaki; Kuwatani, Tatsu; Okamoto, Atsushi; Hukushima, Koji

2016-09-01

It is essential to extract nonlinear dynamics from time-series data as an inverse problem in natural sciences. We propose a Bayesian statistical framework for extracting nonlinear dynamics of surface heterogeneous reactions from sparse and noisy observable data. Surface heterogeneous reactions are chemical reactions with conjugation of multiple phases, and they have the intrinsic nonlinearity of their dynamics caused by the effect of surface-area between different phases. We adapt a belief propagation method and an expectation-maximization (EM) algorithm to partial observation problem, in order to simultaneously estimate the time course of hidden variables and the kinetic parameters underlying dynamics. The proposed belief propagation method is performed by using sequential Monte Carlo algorithm in order to estimate nonlinear dynamical system. Using our proposed method, we show that the rate constants of dissolution and precipitation reactions, which are typical examples of surface heterogeneous reactions, as well as the temporal changes of solid reactants and products, were successfully estimated only from the observable temporal changes in the concentration of the dissolved intermediate product.

Surface response of a viscoelastic medium to subsurface acoustic sources with application to medical diagnosis

NASA Astrophysics Data System (ADS)

Royston, Thomas J.; Yazicioglu, Yigit; Loth, Francis

2003-02-01

The response at the surface of an isotropic viscoelastic medium to buried fundamental acoustic sources is studied theoretically, computationally and experimentally. Finite and infinitesimal monopole and dipole sources within the low audible frequency range (40-400 Hz) are considered. Analytical and numerical integral solutions that account for compression, shear and surface wave response to the buried sources are formulated and compared with numerical finite element simulations and experimental studies on finite dimension phantom models. It is found that at low audible frequencies, compression and shear wave propagation from point sources can both be significant, with shear wave effects becoming less significant as frequency increases. Additionally, it is shown that simple closed-form analytical approximations based on an infinite medium model agree well with numerically obtained ``exact'' half-space solutions for the frequency range and material of interest in this study. The focus here is on developing a better understanding of how biological soft tissue affects the transmission of vibro-acoustic energy from biological acoustic sources below the skin surface, whose typical spectral content is in the low audible frequency range. Examples include sound radiated from pulmonary, gastro-intestinal and cardiovascular system functions, such as breath sounds, bowel sounds and vascular bruits, respectively.

Liquid crystal dynamic flow control by bidirectional alignment surface

NASA Astrophysics Data System (ADS)

Li, Y. W.; Lee, C. Y.; Kwok, H. S.

2009-02-01

We investigate the behavior of liquid crystal dynamic flow in a cell with a bidirectional alignment (BDA) surface. Numerical simulations show that with a BDA surface having a pitch comparable to the cell gap d, the liquid crystal dynamic flow direction can be controlled by the driving voltage. Such an effect can be applied to bistable twisted nematic displays without the need for anchoring breaking.

Sub-nanometer glass surface dynamics induced by illumination

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

Nguyen, Duc; Nienhaus, Lea; Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801

2015-06-21

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

Dynamic Topography at Earth's Surface: Fact or Fiction? (Invited)

NASA Astrophysics Data System (ADS)

Lithgow-Bertelloni, C. R.; Silver, P. G.

2009-12-01

Contributions to Earth’s surface topography range from short-wavelength uncompensated features due to tectonic activity, to variations in crustal structure and long-wavelength deflections of the lithosphere caused by mantle dynamics. The latter we call dynamic topography. Dynamic topography elevates or depresses the surface even if the density anomaly giving rise to flow is deep in the mantle. Dynamic topography is also a major contributor to Earth’s gravitational potential and to surface deformation. However, direct observations of dynamic topography are elusive, because signals are obscured by the isostatic contribution due to crustal and lithospheric structure. The only seemingly unequivocal signals of dynamically supported topography have been found over mantle upwellings on both continents (Africa [Lithgow-Bertelloni and Silver, 1998] and Arabia [Daradich et al., 2004]) and oceanic basins (North-Atlantic [Conrad et al., 2004]). Recent work on Africa’s geomorphic history [Moore et al., 2009] and North Atlantic gravity and topography have called even these results into questions. In downwelling regions (near slabs) no clear signals have been found. I will explore why this dichotomy may exist and relate it to the need for dynamic topography in mantle flow models, with an eye towards the effects of phase transitions, lateral variations in viscosity and layered convection. I will also present recent results on dynamic topography over flat slab segments that overturn the conventional wisdom and explain basin topography in the Andean foreland. Along with the new models I will discuss a recent global lithospheric structure model with which to compute the residual topography, i.e. the “observed” dynamic topography.

Laser activation of a nutrient medium and antibiotic solutions and its estimation by of bacteria growth dynamics

NASA Astrophysics Data System (ADS)

Malov, Alexander N.; Neupokoeva, Anna V.; Kokorina, Lubov A.; Simonova, Elena V.

2016-11-01

A laser photomodifacation of nutrient mediums and antibiotics results at the microbiological supervision of bacteria colonies growth are discussed. It is experimentally shown, that on the irradiated media there is a delay of bacterial colonies growth number. Influence of laser radiation on activity of an antibiotic also is experimentally studied. It is revealed, that laser photomodifacation increases antimicrobic activity of a preparation. The mechanism of biological solutions activation is connected with the phenomenon laser nanoclusterization. Parameters of bacteria growth bacteria growth dynamics allow to numerically estimate degree of laser activation of nutrient mediums and pharmaceutical preparations.

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

Dynamical Modeling of Surface Tension

NASA Technical Reports Server (NTRS)

Brackbill, Jeremiah U.; Kothe, Douglas B.

1996-01-01

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

Temperature dependent droplet impact dynamics on flat and textured surfaces

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

Azar Alizadeh; Vaibhav Bahadur; Sheng Zhong

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

Optimization of Medium Using Response Surface Methodology for Lipid Production by Scenedesmus sp.

PubMed Central

Yang, Fangfang; Long, Lijuan; Sun, Xiumei; Wu, Hualian; Li, Tao; Xiang, Wenzhou

2014-01-01

Lipid production is an important indicator for assessing microalgal species for biodiesel production. In this work, the effects of medium composition on lipid production by Scenedesmus sp. were investigated using the response surface methodology. The results of a Plackett–Burman design experiment revealed that NaHCO3, NaH2PO4·2H2O and NaNO3 were three factors significantly influencing lipid production, which were further optimized by a Box–Behnken design. The optimal medium was found to contain 3.07 g L−1 NaHCO3, 15.49 mg L−1 NaH2PO4·2H2O and 803.21 mg L−1 NaNO3. Using the optimal conditions previously determined, the lipid production (304.02 mg·L−1) increased 54.64% more than that using the initial medium, which agreed well with the predicted value 309.50 mg L−1. Additionally, lipid analysis found that palmitic acid (C16:0) and oleic acid (C18:1) dominantly constituted the algal fatty acids (about 60% of the total fatty acids) and a much higher content of neutral lipid accounted for 82.32% of total lipids, which strongly proved that Scenedesmus sp. is a very promising feedstock for biodiesel production. PMID:24663113

Augmented Ehrenfest dynamics yields a rate for surface hopping

NASA Astrophysics Data System (ADS)

Subotnik, Joseph E.

2010-04-01

We present a new algorithm for mixed quantum-classical dynamics that helps bridge the gap between mean-field (Ehrenfest) and surface-hopping dynamics by defining a natural rate of decoherence. In order to derive this decoherence result, we have expanded the number of independent variables in the usual Ehrenfest routine so that mixed quantum-classical derivatives are now propagated in time alongside the usual Ehrenfest variables. Having done so, we compute a unique rate of decoherence using two independent approaches: (i) by comparing the equations of motion for the joint nuclear-electronic probability density in phase space according to Ehrenfest dynamics versus partial Wigner transform dynamics and (ii) by introducing a frozen Gaussian interpretation of Ehrenfest dynamics which allows nuclear wave packets to separate. The first consequence of this work is a means to rigorously check the accuracy of standard Ehrenfest dynamics. Second, this paper suggests a nonadiabatic dynamics algorithm, whereby the nuclei are propagated on the mean-field (Ehrenfest) potential energy surface and undergo stochastic decoherence events. Our work resembles the surface-hopping algorithm of Schwartz and co-workers [J. Chem. Phys. 123, 234106 (2005)]—only now without any adjustable parameters. For the case of two electronic states, we present numerical results on the so-called "Tully problems" and emphasize that future numerical benchmarking is still needed. Future work will also treat the problem of three or more electronic states.

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.

Rayleigh and Wood anomalies in the diffraction of acoustic waves from the periodically corrugated surface of an elastic medium

NASA Astrophysics Data System (ADS)

Maradudin, A. A.; Simonsen, I.

2016-05-01

By the use of the Rayleigh method we have calculated the angular dependence of the reflectivity and the efficiencies of several other diffracted orders when the periodically corrugated surface of an isotropic elastic medium is illuminated by a volume acoustic wave of shear horizontal polarization. These dependencies display the signatures of Rayleigh and Wood anomalies, usually associated with the diffraction of light from a metallic grating. The Rayleigh anomalies occur at angles of incidence at which a diffracted order appears or disappears; the Wood anomalies here are caused by the excitation of the shear horizontal surface acoustic waves supported by the periodically corrugated surface of an isotropic elastic medium. The dispersion curves of these waves in both the nonradiative and radiative regions of the frequency-wavenumber plane are calculated, and used in predicting the angles of incidence at which the Wood anomalies are expected to occur.

The Pneumatic Actuators As Vertical Dynamic Load Simulators On Medium Weighted Wheel Suspension Mechanism

NASA Astrophysics Data System (ADS)

Ka'ka, Simon; Himran, Syukri; Renreng, Ilyas; Sutresman, Onny

2018-02-01

Almost all of road damage can be caused by dynamic loads of vehicles that fluctuate according to the type of vehicle that passes through. This study aims to calculate the vertical dynamic load of the vehicle actually occurs on road construction by the mechanism of vehicle wheel suspension. Pneumatic cylinders driven by pressurized air directly load the spring and shock absorber installed on the wheels of the vehicle. The load fluctuations of the medium weight categorized vehicles are determined by the regulation of the amount of pressurized air that enters into the pneumatic cylinder chamber, pushing the piston and connecting rods. The displacement that occurs during compression on the spring and shock absorber, is substituted into the equation of vehicle dynamic load while taking into account the spring stiffness constant, and the fluid or damper gas coefficient. The results show that the magnitude of the displacement when the compression force works has significant influences to the amount of vertical dynamic load of the vehicle that overlies the road construction. The presence of dynamic load of vehicles that fluctuates and repeats, also affects on the reduction of road ability to receive the load. Experimental results using pneumatic actuators instead of real dynamic vehicle loads illustrate the characteristics of the relationship between work pressure and dynamic load. If the working pressure of P2 (bar) is greater, the vertical dynamic load Ft (N) that overloads the road structure is also greater. The associate graphs show that the shock absorber has a greater ability to reduce dynamic load vertically that burden the road structure when compared with the ability of screw spring.

Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

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

Anjos, Daniela M; Mamontov, Eugene; Brown, Gilbert M

We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ~ 4.7 . On the low-coverage surface, both diffusion processes are spatially localized; on the same length scalemore » of ~ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.« less

Stem cells from human exfoliated deciduous teeth differentiate toward neural cells in a medium dynamically cultured with Schwann cells in a series of polydimethylsiloxanes scaffolds

NASA Astrophysics Data System (ADS)

Su, Wen-Ta; Pan, Yu-Jing

2016-08-01

Objective. Schwann cells (SCs) are primary structural and functional cells in the peripheral nervous system. These cells play a crucial role in peripheral nerve regeneration by releasing neurotrophic factors. This study evaluated the neural differentiation potential effects of stem cells from human exfoliated deciduous teeth (SHEDs) in a rat Schwann cell (RSC) culture medium. Approach. SHEDs and RSCs were individually cultured on a polydimethylsiloxane (PDMS) scaffold, and the effects of the RSC medium on the SHEDs differentiation between static and dynamic cultures were compared. Main results. Results demonstrated that the SHED cells differentiated by the RSC cultured medium in the static culture formed neurospheres after 7 days at the earliest, and SHED cells formed neurospheres within 3 days in the dynamic culture. These results confirm that the RSC culture medium can induce neurospheres formation, the speed of formation and the number of neurospheres (19.16 folds high) in a dynamic culture was superior to the static culture for 3 days culture. The SHED-derived spheres were further incubated in the RSCs culture medium, these neurospheres continuously differentiated into neurons and neuroglial cells. Immunofluorescent staining and RT-PCR revealed nestin, β-III tubulin, GFAP, and γ-enolase of neural markers on the differentiated cells. Significance. These results indicated that the RSC culture medium can induce the neural differentiation of SHED cells, and can be used as a new therapeutic tool to repair nerve damage.

Surface-hopping dynamics and decoherence with quantum equilibrium structure.

PubMed

Grunwald, Robbie; Kim, Hyojoon; Kapral, Raymond

2008-04-28

In open quantum systems, decoherence occurs through interaction of a quantum subsystem with its environment. The computation of expectation values requires a knowledge of the quantum dynamics of operators and sampling from initial states of the density matrix describing the subsystem and bath. We consider situations where the quantum evolution can be approximated by quantum-classical Liouville dynamics and examine the circumstances under which the evolution can be reduced to surface-hopping dynamics, where the evolution consists of trajectory segments exclusively evolving on single adiabatic surfaces, with probabilistic hops between these surfaces. The justification for the reduction depends on the validity of a Markovian approximation on a bath averaged memory kernel that accounts for quantum coherence in the system. We show that such a reduction is often possible when initial sampling is from either the quantum or classical bath initial distributions. If the average is taken only over the quantum dispersion that broadens the classical distribution, then such a reduction is not always possible.

Effects of post heat-treatment on surface characteristics and adhesive bonding performance of medium density fiberboard

Treesearch

Nadir Ayrilimis; Jerrold E. Winandy

2009-01-01

A series of commercially manufactured medium density fiberboard (MDF) panels were exposed to a post-manufacture heat-treatment at various temperatures and durations using a hot press and just enough pressure to ensure firm contact between the panel and the press platens. Post-manufacture heat-treatment improved surface roughness of the exterior MDF panels. Panels...

Porous medium convection at large Rayleigh number: Studies of coherent structure, transport, and reduced dynamics

NASA Astrophysics Data System (ADS)

Wen, Baole

Buoyancy-driven convection in fluid-saturated porous media is a key environmental and technological process, with applications ranging from carbon dioxide storage in terrestrial aquifers to the design of compact heat exchangers. Porous medium convection is also a paradigm for forced-dissipative infinite-dimensional dynamical systems, exhibiting spatiotemporally chaotic dynamics if not "true" turbulence. The objective of this dissertation research is to quantitatively characterize the dynamics and heat transport in two-dimensional horizontal and inclined porous medium convection between isothermal plane parallel boundaries at asymptotically large values of the Rayleigh number Ra by investigating the emergent, quasi-coherent flow. This investigation employs a complement of direct numerical simulations (DNS), secondary stability and dynamical systems theory, and variational analysis. The DNS confirm the remarkable tendency for the interior flow to self-organize into closely-spaced columnar plumes at sufficiently large Ra (up to Ra ≃ 105), with more complex spatiotemporal features being confined to boundary layers near the heated and cooled walls. The relatively simple form of the interior flow motivates investigation of unstable steady and time-periodic convective states at large Ra as a function of the domain aspect ratio L. To gain insight into the development of spatiotemporally chaotic convection, the (secondary) stability of these fully nonlinear states to small-amplitude disturbances is investigated using a spatial Floquet analysis. The results indicate that there exist two distinct modes of instability at large Ra: a bulk instability mode and a wall instability mode. The former usually is excited by long-wavelength disturbances and is generally much weaker than the latter. DNS, strategically initialized to investigate the fully nonlinear evolution of the most dangerous secondary instability modes, suggest that the (long time) mean inter-plume spacing in

Surface functionalization of dopamine coated iron oxide nanoparticles for various surface functionalities

NASA Astrophysics Data System (ADS)

Sherwood, Jennifer; Xu, Yaolin; Lovas, Kira; Qin, Ying; Bao, Yuping

2017-04-01

We present effective conjugation of four small molecules (glutathione, cysteine, lysine, and Tris(hydroxymethyl)aminomethane) onto dopamine-coated iron oxide nanoparticles. Conjugation of these molecules could improve the surface functionality of nanoparticles for more neutral surface charge at physiological pH and potentially reduce non-specific adsorption of proteins to nanoparticles surfaces. The success of conjugation was evaluated with dynamic light scattering by measuring the surface charge changes and Fourier transform infrared spectroscopy for surface chemistry analysis. The stability of dopamine-coated nanoparticles and the ability of conjugated nanoparticles to reduce the formation of protein corona were evaluated by measuring the size and charge of the nanoparticles in biological medium. This facile conjugation method opens up possibilities for attaching various surface functionalities onto iron oxide nanoparticle surfaces for biomedical applications.

Medium optimization for the production of recombinant nattokinase by Bacillus subtilis using response surface methodology.

PubMed

Chen, Po Ting; Chiang, Chung-Jen; Chao, Yun-Peng

2007-01-01

Nattokinase is a potent fibrinolytic enzyme with the potential for fighting cardiovascular diseases. Most recently, a new Bacillus subtilis/Escherichia coli (B. subtilis/E. coli) shuttle vector has been developed to achieve stable production of recombinant nattokinase in B. subtilis (Chen; et al. 2007, 23, 808-813). With this developed B. subtilis strain, the design of an optimum but cost-effective medium for high-level production of recombinant nattokinase was attempted by using response surface methodology. On the basis of the Plackett-Burman design, three critical medium components were selected. Subsequently, the optimum combination of selected factors was investigated by the Box-Behnken design. As a result, it gave the predicted maximum production of recombinant nattokinase with 71 500 CU/mL for shake-flask cultures when the concentrations of soybean hydrolysate, potassium phosphate, and calcium chloride in medium were at 6.100, 0.415, and 0.015%, respectively. This was further verified by a duplicated experiment. Moreover, the production scheme based on the optimum medium was scaled up in a fermenter. The batch fermentation of 3 L was carried out by controlling the condition at 37 degrees C and dissolved oxygen reaching 20% of air saturation level while the fermentation pH was initially set at 8.5. Without the need for controlling the broth pH, recombinant nattokinase production with a yield of 77 400 CU/mL (corresponding to 560 mg/L) could be obtained in the culture broth within 24 h. In particular, the recombinant B. subtilis strain was found fully stable at the end of fermentation when grown on the optimum medium. Overall, it indicates the success of this experimental design approach in formulating a simple and cost-effective medium, which provides the developed strain with sufficient nutrient supplements for stable and high-level production of recombinant nattokinase in a fermenter.

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

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

Response surface optimization of culture medium for enhanced docosahexaenoic acid production by a Malaysian thraustochytrid.

PubMed

Manikan, Vidyah; Kalil, Mohd Sahaid; Hamid, Aidil Abdul

2015-02-27

Docosahexaenoic acid (DHA, C22:6n-3) plays a vital role in the enhancement of human health, particularly for cognitive, neurological, and visual functions. Marine microalgae, such as members of the genus Aurantiochytrium, are rich in DHA and represent a promising source of omega-3 fatty acids. In this study, levels of glucose, yeast extract, sodium glutamate and sea salt were optimized for enhanced lipid and DHA production by a Malaysian isolate of thraustochytrid, Aurantiochytrium sp. SW1, using response surface methodology (RSM). The optimized medium contained 60 g/L glucose, 2 g/L yeast extract, 24 g/L sodium glutamate and 6 g/L sea salt. This combination produced 17.8 g/L biomass containing 53.9% lipid (9.6 g/L) which contained 44.07% DHA (4.23 g/L). The optimized medium was used in a scale-up run, where a 5 L bench-top bioreactor was employed to verify the applicability of the medium at larger scale. This produced 24.46 g/L biomass containing 38.43% lipid (9.4 g/L), of which 47.87% was DHA (4.5 g/L). The total amount of DHA produced was 25% higher than that produced in the original medium prior to optimization. This result suggests that Aurantiochytrium sp. SW1 could be developed for industrial application as a commercial DHA-producing microorganism.

Enhancement of the visibility of objects located below the surface of a scattering medium

DOEpatents

Demos, Stavros

2013-11-19

Techniques are provided for enhancing the visibility of objects located below the surface of a scattering medium such as tissue, water and smoke. Examples of such an object include a vein located below the skin, a mine located below the surface of the sea and a human in a location covered by smoke. The enhancement of the image contrast of a subsurface structure is based on the utilization of structured illumination. In the specific application of this invention to image the veins in the arm or other part of the body, the issue of how to control the intensity of the image of a metal object (such as a needle) that must be inserted into the vein is also addressed.

Origin of 1/f noise in hydration dynamics on lipid membrane surfaces

PubMed Central

Yamamoto, Eiji; Akimoto, Takuma; Yasui, Masato; Yasuoka, Kenji

2015-01-01

Water molecules on lipid membrane surfaces are known to contribute to membrane stability by connecting lipid molecules and acting as a water bridge. Although water structures and diffusivities near the membrane surfaces have been extensively studied, hydration dynamics on the surfaces has remained an open question. Here we investigate residence time statistics of water molecules on the surface of lipid membranes using all-atom molecular dynamics simulations. We show that hydration dynamics on the lipid membranes exhibits 1/f noise. Constructing a dichotomous process for the hydration dynamics, we find that residence times in each state follow a power-law with exponential cutoff and that the process can be regarded as a correlated renewal process where interoccurrence times are correlated. The results imply that the origin of the 1/f noise in hydration dynamics on the membrane surfaces is a combination of a power-law distribution with cutoff of interoccurrence times of switching events and a long-term correlation between the interoccurrence times. These results suggest that the 1/f noise attributed to the correlated renewal process may contribute to the stability of the hydration layers and lipid membranes. PMID:25743377

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

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

A Method for Molecular Dynamics on Curved Surfaces

PubMed Central

Paquay, Stefan; Kusters, Remy

2016-01-01

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

A Method for Molecular Dynamics on Curved Surfaces

NASA Astrophysics Data System (ADS)

Paquay, Stefan; Kusters, Remy

2016-03-01

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

Dissecting the structure of surface stabilizer on the dispersion of inorganic nanoparticles in aqueous medium

NASA Astrophysics Data System (ADS)

Ding, Yong; Yu, Zongzhi; Zheng, Junping

2017-03-01

Dispersing inorganic nanoparticles in aqueous solutions is a key requirement for a great variety of products and processes, including carriers in drug delivery or fillers in polymers. To be highly functional in the final product, inorganic particles are required to be finely dispersed in nanoscale. In this study, silica was selected as a representative inorganic particle. Surface stabilizers with different chain length and charged group were designed to reveal the influence of electrostatic and van der Waals forces between silica and stabilizer on the dispersion of silica particles in aqueous medium. Results showed surface stabilizer with longer alkyl chain and charged group exerted best ability to deaggregate silica, leading to a hydrodynamic size of 51.1 nm. Surface stabilizer designing with rational structure is a promising solution for deagglomerating and reducing process time and energy. Giving the designability and adaptability of surface stabilizer, this method is of potential for dispersion of other inorganic nanoparticles.

Model system for studies of microbial dynamics at exuding surfaces such as the rhizosphere.

PubMed Central

Odham, G; Tunlid, A; Valeur, A; Sundin, P; White, D C

1986-01-01

An autoclavable all-glass system for studying microbial dynamics at permeable surfaces is described. Standard hydrophobic or hydrophilic membranes (46-mm diameter) of various pore sizes were supported on a glass frit through which nutrient solutions were pumped by a peristaltic pump. The pump provided a precisely controlled flow at speeds of 0.5 to 500 ml of defined or natural cell exudates per h, which passed through the membrane into a receiving vessel. The construction allowed a choice of membranes, which could be modified. The system was tested with a bacterium, isolated from rape plant roots (Brassica napus L.), that was inoculated on a hydrophilic membrane filter and allowed to develop into a biofilm. A defined medium with a composition resembling that of natural rape root exudate was pumped through the membrane at 0.5 ml/h. Scanning electron microscopic examinations indicated that the inoculum formed microcolonies embedded in exopolymers evenly distributed over the membrane surface. The lipid composition and content of poly-beta-hydroxybutyrate in free-living and adhered cells were determined by gas chromatography. The bacterial consumption of amino acids in the exudate was also studied. Images PMID:11536565

Model system for studies of microbial dynamics at exuding surfaces such as the rhizosphere

NASA Technical Reports Server (NTRS)

Odham, G.; Tunlid, A.; Valeur, A.; Sundin, P.; White, D. C.

1986-01-01

An autoclavable all-glass system for studying microbial dynamics at permeable surfaces is described. Standard hydrophobic or hydrophilic membranes (46-mm diameter) of various pore sizes were supported on a glass frit through which nutrient solutions were pumped by a peristaltic pump. The pump provided a precisely controlled flow at speeds of 0.5 to 500 ml of defined or natural cell exudates per h, which passed through the membrane into a receiving vessel. The construction allowed a choice of membranes, which could be modified. The system was tested with a bacterium, isolated from rape plant roots (Brassica napus L.), that was inoculated on a hydrophilic membrane filter and allowed to develop into a biofilm. A defined medium with a composition resembling that of natural rape root exudate was pumped through the membrane at 0.5 ml/h. Scanning electron microscopic examinations indicated that the inoculum formed microcolonies embedded in exopolymers evenly distributed over the membrane surface. The lipid composition and content of poly-beta-hydroxybutyrate in free-living and adhered cells were determined by gas chromatography. The bacterial consumption of amino acids in the exudate was also studied.

Multi-parameter Full-waveform Inversion for Acoustic VTI Medium with Surface Seismic Data

NASA Astrophysics Data System (ADS)

Cheng, X.; Jiao, K.; Sun, D.; Huang, W.; Vigh, D.

2013-12-01

Full-waveform Inversion (FWI) attracts wide attention recently in oil and gas industry as a new promising tool for high resolution subsurface velocity model building. While the traditional common image point gather based tomography method aims to focus post-migrated data in depth domain, FWI aims to directly fit the observed seismic waveform in either time or frequency domain. The inversion is performed iteratively by updating the velocity fields to reduce the difference between the observed and the simulated data. It has been shown the inversion is very sensitive to the starting velocity fields, and data with long offsets and low frequencies is crucial for the success of FWI to overcome this sensitivity. Considering the importance of data with long offsets and low frequencies, in most geologic environment, anisotropy is an unavoidable topic for FWI especially at long offsets, since anisotropy tends to have more pronounced effects on waves traveled for a great distance. In VTI medium, this means more horizontal velocity will be registered in middle-to-long offset data, while more vertical velocity will be registered in near-to-middle offset data. Up to date, most of real world applications of FWI still remain in isotropic medium, and only a few studies have been shown to account for anisotropy. And most of those studies only account for anisotropy in waveform simulation, but not invert for those anisotropy fields. Multi-parameter inversion for anisotropy fields, even in VTI medium, remains as a hot topic in the field. In this study, we develop a strategy for multi-parameter FWI for acoustic VTI medium with surface seismic data. Because surface seismic data is insensitivity to the delta fields, we decide to hold the delta fields unchanged during our inversion, and invert only for vertical velocity and epsilon fields. Through parameterization analysis and synthetic tests, we find that it is more feasible to invert for the parameterization as vertical and horizontal

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

[Growth peculiarities and properties of Bacillus subtilis IMV B-7023 cell surface in the medium with glycerophosphate].

PubMed

Roĭ, A A; Gordienko, A S; Kurdish, I K

2009-01-01

It is established that, depending on the amount of the basic elements of carbon and phosphorus nutrition in the cultivation medium, Bacillus subtilis IMV B-7023 can use glycerophosphate as a source of carbon, carbon and phosphorus, or phosphorus. The found differences in bacterium physiology correlate with the change of cell surface properties.

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

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

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

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

Dynamics of Surface Reorganization of Poly(methyl methacrylate) in Contact with Water

NASA Astrophysics Data System (ADS)

Horinouchi, Ayanobu; Atarashi, Hironori; Fujii, Yoshihisa; Tanaka, Keiji

2013-03-01

New tools for tailor-made diagnostics, such as DNA arrays and tips for micro-total-analysis systems, are generally made from polymers. In these applications, the polymer surface is in contact with a water phase. However, despite the importance of detailed knowledge of the fundamental interactions of polymer interfaces with liquids, such studies are very limited. As an initial benchmark for designing and constructing specialized biomedical surfaces containing polymer, aggregation states and dynamics of chains at the water interface should be systematically examined. We here apply time-resolved contact angle measurement to study the dynamics of the surface reorganization of poly(methyl methacrylate) (PMMA) in contact with water. By doing the measurements at various temperatures, it is possible to discuss the surface dynamics of PMMA based on the apparent activation energy. Also, sum-frequency generation spectroscopy revealed that the surface reorganization involves the conformational changes in the main chain part as well as the side chains. Hence, the dynamics observed here may reflect the segmental motion at the outermost region of the PMMA film, in which water plays as a plasticizer.

Molecular dynamics studies of interfacial water at the alumina surface.

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

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

2011-01-01

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

Measuring and modeling surface sorption dynamics of organophosphate flame retardants on impervious surfaces.

PubMed

Liang, Y; Liu, X; Allen, M R

2018-02-01

Understanding the sorption mechanisms for organophosphate flame retardants (OPFRs) on impervious surfaces is important to improve our knowledge of the fate and transport of OPFRs in indoor environments. The sorption processes of semivolatile organic compounds (SVOCs) on indoor surfaces are heterogeneous (multilayer sorption) or homogeneous (monolayer sorption). In this study, we adopted simplified Langmuir isotherm and Freundlich isotherm in a dynamic sink model to characterize the sorption dynamics of OPFRs on impervious surfaces such as stainless steel and made comparisons between the two models through a series of empty chamber studies. The tests involve two types of stainless steel chambers (53-L small chambers and 44-mL micro chambers) using tris(2-chloroethyl)phosphate (TCEP) and tris(1-chloro-2-propyl)phosphate (TCPP) as target compounds. Our test results show that the dynamic sink model using Freundlich isotherm can better represent the sorption process in the empty small chamber. Micro chamber test results from this study show that the sink model using both simplified Langmuir isotherm and Freundlich isotherm can well fit the measured gas-phase concentrations of OPFRs. We further applied both models and the parameters obtained to predict the gas phase concentrations of OPFRs in a small chamber with an emission source. Comparisons between model predictions and measurements demonstrate the reliability and applicability of the sorption parameters. Published by Elsevier Ltd.

Response surface optimization of culture medium for enhanced docosahexaenoic acid production by a Malaysian thraustochytrid

PubMed Central

Manikan, Vidyah; Kalil, Mohd Sahaid; Hamid, Aidil Abdul

2015-01-01

Docosahexaenoic acid (DHA, C22:6n-3) plays a vital role in the enhancement of human health, particularly for cognitive, neurological, and visual functions. Marine microalgae, such as members of the genus Aurantiochytrium, are rich in DHA and represent a promising source of omega-3 fatty acids. In this study, levels of glucose, yeast extract, sodium glutamate and sea salt were optimized for enhanced lipid and DHA production by a Malaysian isolate of thraustochytrid, Aurantiochytrium sp. SW1, using response surface methodology (RSM). The optimized medium contained 60 g/L glucose, 2 g/L yeast extract, 24 g/L sodium glutamate and 6 g/L sea salt. This combination produced 17.8 g/L biomass containing 53.9% lipid (9.6 g/L) which contained 44.07% DHA (4.23 g/L). The optimized medium was used in a scale-up run, where a 5 L bench-top bioreactor was employed to verify the applicability of the medium at larger scale. This produced 24.46 g/L biomass containing 38.43% lipid (9.4 g/L), of which 47.87% was DHA (4.5 g/L). The total amount of DHA produced was 25% higher than that produced in the original medium prior to optimization. This result suggests that Aurantiochytrium sp. SW1 could be developed for industrial application as a commercial DHA-producing microorganism. PMID:25721623

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.

The dynamic Virtual Fields Method on rubbers at medium and high strain rates

NASA Astrophysics Data System (ADS)

Yoon, Sung-Ho; Siviour, Clive R.

2015-09-01

Elastomeric materials are widely used for energy absorption applications, often experiencing high strain rate deformations. The mechanical characterization of rubbers at high strain rates presents several experimental difficulties, especially associated with achieving adequate signal to noise ratio and static stress equilibrium, when using a conventional technique such as the split Hopkinson pressure bar. In the present study, these problems are avoided by using the dynamic Virtual Fields Method (VFM) in which acceleration fields, clearly generated by the non-equilibrium state, are utilized as a force measurement with in the frame work of the principle of virtual work equation. In this paper, two dynamic VFM based techniques are used to characterise an EPDM rubber. These are denoted as the linear and nonlinear VFM and are developed for (respectively) medium (drop-weight) and high (gas-gun) strain-rate experiments. The use of the two VFMs combined with high-speed imaging analysed by digital imaging correlation allows the identification of the parameters of a given rubber mechanical model; in this case the Ogden model is used.

Constitutional Dynamics of Metal-Organic Motifs on a Au(111) Surface.

PubMed

Kong, Huihui; Zhang, Chi; Xie, Lei; Wang, Likun; Xu, Wei

2016-06-13

Constitutional dynamic chemistry (CDC), including both dynamic covalent chemistry and dynamic noncovalent chemistry, relies on reversible formation and breakage of bonds to achieve continuous changes in constitution by reorganization of components. In this regard, CDC is considered to be an efficient and appealing strategy for selective fabrication of surface nanostructures by virtue of dynamic diversity. Although constitutional dynamics of monolayered structures has been recently demonstrated at liquid/solid interfaces, most of molecular reorganization/reaction processes were thought to be irreversible under ultrahigh vacuum (UHV) conditions where CDC is therefore a challenge to be achieved. Here, we have successfully constructed a system that presents constitutional dynamics on a solid surface based on dynamic coordination chemistry, in which selective formation of metal-organic motifs is achieved under UHV conditions. The key to making this reversible switching successful is the molecule-substrate interaction as revealed by DFT calculations. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Elasto-dynamic analysis of spinning nanodisks via a surface energy-based model

NASA Astrophysics Data System (ADS)

Kiani, Keivan

2016-07-01

Using the surface elasticity theory of Gurtin and Murdoch, in-plane vibrations of annular nanodisks due to their rotary motion are explored. By the imposition of non-classical boundary conditions on the innermost and outermost surfaces and employing Hamilton’s principle, the unknown elasto-dynamic fields of the bulk zone are determined via the finite element method. The roles of both nanodisk geometry and surface effect on the natural frequencies are addressed. Subsequently, forced vibrations of spinning nanodisks with fixed-free and free-free boundary conditions are comprehensively examined. The obtained results show that the maximum dynamic elastic fields grow in a parabolic manner as the steady angular velocity increases. By increasing the outermost radius, the maximum dynamic elastic field is magnified and the influence of the surface effect on the results reduced. This work can be considered as a pivotal step towards optimal design and dynamic analysis of nanorotors with disk-like parts, which are one of the basic building blocks of the upcoming advanced nanotechnologies.

Dynamic order in a surface process

NASA Astrophysics Data System (ADS)

Eiswirth, M.; Ertl, G.

1988-09-01

Under certain well-defined conditions ( p co,p_{{text{O}}_{text{2}} } , T) the rate of catalytic oxidation of CO on a Pt(110) surface may exhibit sustained temporal oscillations with an autonomous frequency v 0. Small amplitude modulation ofp_{{text{O}}_{text{2}} } with frequency v p causes a variety of phenomena characteristic for systems of nonlinear dynamics which may be identified with temporal order and show formal similarities to spatial order of surface phases: Periodic behavior for certain rational numbers of v p/v0 — corresponding to commensurate surface structures; quasiperiodic behavior characterized by an irrational ratio of the periods of perturbation and response — corresponding to incommensurate structures; and critical slowing down near the boundary of a transition to quasiperiodicity which has its counterpart in the critical fluctuations near a (spatial) phase transition.

Rupture and Spreading Dynamics of Lipid Membranes on a Solid Surface

NASA Astrophysics Data System (ADS)

Perazzo, Antonio; Shin, Sangwoo; Colosqui, Carlos; Young, Yuan-Nan; Stone, Howard A.

2017-11-01

The spreading of lipid membranes on solid surfaces is a dynamic phenomenon relevant to drug delivery, endocytosis, biofouling, and the synthesis of supported lipid bilayers. Current technological developments are limited by an incomplete understanding of the spreading and adhesion dynamics of a lipid bilayer under different physicochemical conditions. Here, we present recent experimental and theoretical results for the spreading of giant unilamellar vesicles (GUVs), where the vesicle shell consists of a lipid bilayer. In particular, we study the effect of different background ion concentrations, osmolarity mismatches between the interior and the exterior of the vesicles, and different surface chemistries of the glass substrate. In all of the studied cases, we observe a delay time before a GUV in contact with the solid surface eventually ruptures. The rupture kinetics and subsequent spreading dynamics is controlled by the ionic screening within the thin film of liquid between the vesicle and the surface. Different rupture mechanisms, mobilities of the spreading vesicle, and degrees of substrate coverage are observed by varying the electrolyte concentration, solid surface charge, and osmolarity mismatch.

Ethanol oxidation on Pt single-crystal electrodes: surface-structure effects in alkaline medium.

PubMed

Busó-Rogero, Carlos; Herrero, Enrique; Feliu, Juan M

2014-07-21

Ethanol oxidation in 0.1 M NaOH on single-crystal electrodes has been studied using electrochemical and FTIR techniques. The results show that the activity order is the opposite of that found in acidic solutions. The Pt(111) electrode displays the highest currents and also the highest onset potential of all the electrodes. The onset potential for the oxidation of ethanol is linked to the adsorption of OH on the electrode surface. However, small (or even negligible) amounts of CO(ads) and carbonate are detected by FTIR, which implies that cleavage of the C-C bond is not favored in this medium. The activity of the electrodes diminishes quickly upon cycling. The diminution of the activity is proportional to the measured currents and is linked to the formation and polymerization of acetaldehyde, which adsorbs onto the electrode surface and prevents further oxidation. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atmospheric stability analysis over statically and dynamically rough surfaces

NASA Astrophysics Data System (ADS)

Maric, Emina; Metzger, Meredith; Singha, Arindam; Sadr, Reza

2011-11-01

The ratio of buoyancy flux to turbulent kinetic energy production in the atmospheric surface layer is investigated experimentally for air flow over two types of surfaces characterized by static and dynamic roughness. In this study, ``static'' refers to the time-invariant nature of naturally-occurring roughness over a mud/salt playa; while, ``dynamic'' refers to the behavior of water waves along an air-water interface. In both cases, time-resolved measurements of the momentum and heat fluxes were acquired from synchronized 3D sonic anemometers mounted on a vertical tower. Field campaigns were conducted at two sites, representing the ``statically'' and ``dynamically'' rough surfaces, respectively: (1) the SLTEST facility in Utah's western desert, and (2) the new Doha airport in Qatar under construction along the coast of the Persian Gulf. Note, at site 2, anemometers were located directly above the water by extension from a tower secured to the end of a 1 km-long pier. Comparisons of the Monin-Obukhov length, flux Richardson number, and gradient Richardson number are presented, and discussed in the context of the observed evolution of the turbulent spectra in response to diurnal variations of atmospheric stability. Supported by the Qatar National Research Fund.

Dynamic contact angle cycling homogenizes heterogeneous surfaces.

PubMed

Belibel, R; Barbaud, C; Mora, L

2016-12-01

In order to reduce restenosis, the necessity to develop the appropriate coating material of metallic stent is a challenge for biomedicine and scientific research over the past decade. Therefore, biodegradable copolymers of poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) were prepared in order to develop a new coating exhibiting different custom groups in its side chain and being able to carry a drug. This material will be in direct contact with cells and blood. It consists of carboxylic acid and hexylic groups used for hydrophilic and hydrophobic character, respectively. The study of this material wettability and dynamic surface properties is of importance due to the influence of the chemistry and the potential motility of these chemical groups on cell adhesion and polymer kinetic hydrolysis. Cassie theory was used for the theoretical correction of contact angles of these chemical heterogeneous surfaces coatings. Dynamic Surface Analysis was used as practical homogenizer of chemical heterogeneous surfaces by cycling during many cycles in water. In this work, we confirmed that, unlike receding contact angle, advancing contact angle is influenced by the difference of only 10% of acidic groups (%A) in side-chain of polymers. It linearly decreases with increasing acidity percentage. Hysteresis (H) is also a sensitive parameter which is discussed in this paper. Finally, we conclude that cycling provides real information, thus avoiding theoretical Cassie correction. H(10)is the most sensible parameter to %A. Copyright © 2016 Elsevier B.V. All rights reserved.

Investigation of surface properties of pristine and γ-irradiated PAN-based carbon fibers: Effects of fiber instinct structure and radiation medium

NASA Astrophysics Data System (ADS)

Liu, Liangsen; Wu, Fan; Yao, Hongwei; Shi, Jie; Chen, Lei; Xu, Zhiwei; Deng, Hui

2015-05-01

The different rules for γ-ray modifications of carbon fiber (CF) surface were found in previous literature, and the contributing factors were not clear. To investigate the effects of fiber instinct structure and radiation medium on surface modification of CFs in γ-ray irradiation, argon atmosphere (Ar) and epoxy chloropropane (ECP) were chosen as the irradiation media for T300, T400, T700, T800 and T1000, respectively. Based on the Raman spectroscopy and specific surface area results, changes of surface graphitization and roughness depended on the fiber instinct structure after irradiation. The graphitization of T300, T400 and T800 with low graphitization and rough surface was increased after irradiation, while that of T700 and T1000 with high graphite degree and smooth surface was decreased. Specific surface areas of low-graphitization CFs (T300, T400 and T800) were changed clearly, while those of high-graphitization CFs (T700 and T1000) remained almost unchanged after irradiation. X-ray photoelectron spectroscopy provided the evidence that the surface chemistry change after irradiation was determined by the type of the irradiation medium. The oxygen ratio of CFs irradiated in Ar was decreased while that of CFs irradiated in ECP was increased with Cl element detected. Surface free energy of all CFs was improved obviously after irradiation, and CFs irradiated in ECP had higher surface free energy compared with CFs irradiated in Ar.

Carrier dynamics and surface vibration-assisted Auger recombination in porous silicon

NASA Astrophysics Data System (ADS)

Zakar, Ammar; Wu, Rihan; Chekulaev, Dimitri; Zerova, Vera; He, Wei; Canham, Leigh; Kaplan, Andrey

2018-04-01

Excitation and recombination dynamics of the photoexcited charge carriers in porous silicon membranes were studied using a femtosecond pump-probe technique. Near-infrared pulses (800 nm, 60 fs) were used for the pump while, for the probe, we employed different wavelengths in the range between 3.4 and 5 μ m covering the medium wavelength infrared range. The data acquired in these experiments consist of simultaneous measurements of the transmittance and reflectance as a function of the delay time between the pump and probe for different pump fluences and probe wavelengths. To evaluate the results, we developed an optical model based on the two-dimensional Maxwell-Garnett formula, incorporating the free-carrier Drude contribution and nonuniformity of the excitation by the Wentzel-Kramers-Brillouin model. This model allowed the retrieval of information about the carrier density as a function of the pump fluence, time, and wavelength. The carrier density data were analyzed to reveal that the recombination dynamics is governed by Shockley-Read-Hall and Auger processes, whereas the diffusion has an insignificant contribution. We show that, in porous silicon samples, the Auger recombination process is greatly enhanced at the wavelength corresponding to the infrared-active vibrational modes of the molecular impurities on the surface of the pores. This observation of surface-vibration-assisted Auger recombination is not only for porous silicon in particular, but for low-dimension and bulk semiconductors in general. We estimate the time constants of Shockley-Read-Hall and Auger processes, and demonstrate their wavelength dependence for the excited carrier density in the range of 1018-10191 /cm3 . We demonstrate that both processes are enhanced by up to three orders of magnitude with respect to the bulk counterpart. In addition, we provide a plethora of the physical parameters evaluated from the experimental data, such as the dielectric function and its dependence on the

Dynamic surface tension measurement for the screening of biosurfactants produced by Lactobacillus plantarum subsp. plantarum PTCC 1896.

PubMed

Bakhshi, Nafiseh; Soleimanian-Zad, Sabihe; Sheikh-Zeinoddin, Mahmoud

2017-06-01

Currently, screening of microbial biosurfactants (BSs) is based on their equilibrium surface tension values obtained using static surface tension measurement. However, a good surfactant should not only have a low equilibrium surface tension, but its dynamic surface tension (DST) should also decrease rapidly with time. In this study, screening of BSs produced by Lactobacillus plantarum subsp. plantarum PTCC 1896 (probiotic) was performed based on their DST values measured by Wilhelmy plate tensiometry. The relationship between DST and structural and functional properties (anti-adhesive activity) of the BSs was investigated. The results showed that the changes in the yield, productivity and structure of the BSs were growth medium and incubation time dependent (p<0.05). Structurally different BSs produced exhibited identical equilibrium surface tension values. However, differences among the structure/yield of the BSs were observed through the measurement of their DST. The considerable dependence of DST on the concentration and composition of the BS proteins was observed (p<0.05). Moreover, the anti-adhesive activity of the BS was found to be positively correlated with its DST. The results suggest that the DST measurement could serve as an efficient method for the clever screening of BSs producer/production condition, and consequently, for the investigation of probiotic features of bacteria, since the anti-adhesive activity is an important criterion of probiotics. Copyright © 2017 Elsevier Inc. All rights reserved.

Surface Selective Oxide Reduction During the Intercritical Annealing of Medium Mn Steel

NASA Astrophysics Data System (ADS)

Jo, Kyoung Rae; Cho, Lawrence; Oh, Jong Han; Kim, Myoung Soo; Kang, Ki Cheol; De Cooman, Bruno C.

2017-08-01

Third generation advanced high-strength steels achieve an excellent strength-ductility balance using a cost-effective alloy composition. During the continuous annealing of medium Mn steel, the formation of an external selective oxide layer of MnO has a negative impact on the coating quality after galvanizing. A procedure to reduce the selective oxide was therefore developed. It involves annealing in the temperature range of 1073 K to 1323 K (800 °C to 1050 °C) in a HNx gas atmosphere. Annealing at higher temperatures and the use of larger H2 volume fractions are shown to make the gas atmosphere reducing with respect to MnO. The reduction of the surface MnO layer was observed by SEM, GDOES, and cross-sectional TEM analysis.

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.

Probing and controlling terahertz-driven structural dynamics with surface sensitivity

DOE PAGES

Bowlan, Pamela Renee; Bowlan, J.; Trugman, S. A.; ...

2017-03-17

Intense, single-cycle terahertz (THz) pulses are powerful tools to understand and control material properties through low-energy resonances, such as phonons. Combining this with optical second harmonic generation (SHG) makes it possible to observe the resulting ultrafast structural changes with surface sensitivity. This makes SHG an ideal method to probe phonon dynamics in topological insulators (TI), materials with unique surface transport properties. Here, we resonantly excite a phonon mode in the TI Bi 2Se 3with THz pulses and use SHG to separate the resulting symmetry changes at the surface from the bulk. Furthermore, we coherently control the lattice vibrations with amore » pair of THz pulses. Lastly, our work demonstrates a versatile, table-top tool to probe and control phonon dynamics in a range of systems, particularly at surfaces and interfaces.« less

Mapping hydration dynamics around a protein surface

PubMed Central

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

2007-01-01

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

Structural and dynamical characterization of water on the Au (100) and graphene surfaces: A molecular dynamics simulation approach

NASA Astrophysics Data System (ADS)

Foroutan, Masumeh; Darvishi, Mehdi; Fatemi, S. Mahmood

2017-09-01

The positioning, adsorption, and movement of water on substrates is dependent upon the chemical nature and arrangement of the atoms of the surface. Therefore the behavior of water molecules on a substrate is a reflection of properties of the surface. Based on this premise, graphene and gold substrates were chosen to study this subject from a molecular perspective. In this work, the structural and dynamical behaviors of a water nanodroplet on Au (100) and the graphene interfaces have been studied by molecular dynamics simulation. The results have shown how the structural and dynamical behaviors of water molecules at the interface reflect the characteristics of these surfaces. The results have demonstrated that residence time and hydrogen bonds' lifetime at the water-Au (100) interface are bigger than at the water-graphene interface. Energy contour map analysis indicates a more uniform surface energy on graphene than on the gold surface. The obtained results illustrate that water clusters on gold and graphene form tetramer and hexamer structures, respectively. Furthermore, the water molecules are more ordered on the gold surface than on graphene. The study of hydrogen bonds showed that the order, stability, and the number of hydrogen bonds is higher on the gold surface. The positioning pattern of water molecules is also similar to the arrangement of gold atoms while no regularity was observed on graphene. The study of dynamical behavior of water molecules revealed that the movement of water on gold is much less than on graphene which is in agreement with the strong water-gold interaction in comparison to the water-graphene interaction.

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

Emergent dynamics of spatio-temporal chaos in a heterogeneous excitable medium.

PubMed

Bittihn, Philip; Berg, Sebastian; Parlitz, Ulrich; Luther, Stefan

2017-09-01

Self-organized activation patterns in excitable media such as spiral waves and spatio-temporal chaos underlie dangerous cardiac arrhythmias. While the interaction of single spiral waves with different types of heterogeneity has been studied extensively, the effect of heterogeneity on fully developed spatio-temporal chaos remains poorly understood. We investigate how the complexity and stability properties of spatio-temporal chaos in the Bär-Eiswirth model of excitable media depend on the heterogeneity of the underlying medium. We employ different measures characterizing the chaoticity of the system and find that the spatial arrangement of multiple discrete lower excitability regions has a strong impact on the complexity of the dynamics. Varying the number, shape, and spatial arrangement of the heterogeneities, we observe strong emergent effects ranging from increases in chaoticity to the complete cessation of chaos, contrasting the expectation from the homogeneous behavior. The implications of our findings for the development and treatment of arrhythmias in the heterogeneous cardiac muscle are discussed.

Emergent dynamics of spatio-temporal chaos in a heterogeneous excitable medium

NASA Astrophysics Data System (ADS)

Bittihn, Philip; Berg, Sebastian; Parlitz, Ulrich; Luther, Stefan

2017-09-01

Self-organized activation patterns in excitable media such as spiral waves and spatio-temporal chaos underlie dangerous cardiac arrhythmias. While the interaction of single spiral waves with different types of heterogeneity has been studied extensively, the effect of heterogeneity on fully developed spatio-temporal chaos remains poorly understood. We investigate how the complexity and stability properties of spatio-temporal chaos in the Bär-Eiswirth model of excitable media depend on the heterogeneity of the underlying medium. We employ different measures characterizing the chaoticity of the system and find that the spatial arrangement of multiple discrete lower excitability regions has a strong impact on the complexity of the dynamics. Varying the number, shape, and spatial arrangement of the heterogeneities, we observe strong emergent effects ranging from increases in chaoticity to the complete cessation of chaos, contrasting the expectation from the homogeneous behavior. The implications of our findings for the development and treatment of arrhythmias in the heterogeneous cardiac muscle are discussed.

Response surface optimization of medium components for naringinase production from Staphylococcus xylosus MAK2.

PubMed

Puri, Munish; Kaur, Aneet; Singh, Ram Sarup; Singh, Anubhav

2010-09-01

Response surface methodology was used to optimize the fermentation medium for enhancing naringinase production by Staphylococcus xylosus. The first step of this process involved the individual adjustment and optimization of various medium components at shake flask level. Sources of carbon (sucrose) and nitrogen (sodium nitrate), as well as an inducer (naringin) and pH levels were all found to be the important factors significantly affecting naringinase production. In the second step, a 22 full factorial central composite design was applied to determine the optimal levels of each of the significant variables. A second-order polynomial was derived by multiple regression analysis on the experimental data. Using this methodology, the optimum values for the critical components were obtained as follows: sucrose, 10.0%; sodium nitrate, 10.0%; pH 5.6; biomass concentration, 1.58%; and naringin, 0.50% (w/v), respectively. Under optimal conditions, the experimental naringinase production was 8.45 U/mL. The determination coefficients (R(2)) were 0.9908 and 0.9950 for naringinase activity and biomass production, respectively, indicating an adequate degree of reliability in the model.

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.

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.

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.

[Dynamics of change of ureaplasma laboratory strain titers and quantity of their DNA in transport medium at varying temperature].

PubMed

Gamova, N A; Ivanova, T A

2013-01-01

Study of preservation dynamics of ureaplasma laboratory strain live cultures and their DNA in transport medium at varying temperature. The study was carried out in laboratory strains Ureaplasma urealyticum serotype 8 and Ureaplasma parvum serotype 1. The quantity of live ureaplasmas was determined by method of tenfold dilutions in liquid medium. The growth of ureaplasmas was registered by changes in the color of the cultivation medium due to its alkalization by metabolism products and expressed in CCU/ml. DNA quantity in samples was determined by real time PCR performed by using Florocenosis-micoplasmas-FL test system produced by ILS. Live ureaplasmas wer shown to be preserved in transport medium at 4 degrees C for 12 - 29 days, at 18 - 22 degrees C--for 9 - 20 days and at 37 degrees C--for only 2 days. In samples incubated at 37 degrees C the quantity of live ureaplasmas increased and then sharply decreased to 0, at lower temperature titers of the cells decreased smoothly. The quantity of ureaplasma DNA in the process of their incubation did not change significantly. Fundamental differences in the duration of survival of U. urealyticum strain and U. parvum strain in transport medium at varying temperature were not detected. Based on the studies performed a practical conclusion can be drawn that in cases of emergency when clinical material transportation is necessary its storage in transport medium for several days is acceptable.

Dynamics of viscous drops confined in a rough medium

NASA Astrophysics Data System (ADS)

Keiser, Ludovic; Gas, Armelle; Jaafar, Khalil; Bico, Jose; Reyssat, Etienne

2017-11-01

We focus on the dynamics of viscous and non-wetting ``pancake'' droplets of oil conned in a vertical Hele-Shaw cell filled with a less viscous surfactant solution. These dense drops settle at constant velocity driven by gravity. The surfactant solution completely wets the walls, and a thin lubrication film separates the drops from the walls. With smooth walls, two main dynamical regimes are characterized as the gap between the walls is varied. Viscous dissipation is found to dominate either in the droplet or in the lubrication film, depending on the ratio of viscosities and length scales. A sharp transition between both regimes is observed and successfully captured by asymptotic models. With rough walls, that transition is dramatically altered. Drops are generally much slower in a rough Hele-Shaw cell, in comparison with a similar smooth cell. Building up on the seminal works of Seiwert et al. (J.F.M. 2011) on film deposition by dip coating on a rough surface, we shed light on the non-trivial friction processes resulting from the interplay of viscous dissipation at the front of the drop, in the lubrication film and in the bulk of the drop. We acknowledge funding from Total S.A.

HYDRODYNAMICAL INTERACTION OF MILDLY RELATIVISTIC EJECTA WITH AN AMBIENT MEDIUM

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

Suzuki, Akihiro; Maeda, Keiichi; Shigeyama, Toshikazu

2017-01-01

The hydrodynamical interaction of spherical ejecta freely expanding at mildly relativistic speeds into an ambient cold medium is studied in semianalytical and numerical ways to investigate how ejecta produced in energetic stellar explosions dissipate their kinetic energy through the interaction with the surrounding medium. We especially focus on the case in which the circumstellar medium (CSM) is well represented by a steady wind at a constant mass-loss rate, having been ejected from the stellar surface prior to the explosion. As a result of the hydrodynamical interaction, the ejecta and CSM are swept by the reverse and forward shocks, leading tomore » the formation of a geometrically thin shell. We present a semianalytical model describing the dynamical evolution of the shell and compare the results with numerical simulations. The shell can give rise to bright emission as it gradually becomes transparent to photons. We develop an emission model for the expected emission from the optically thick shell, in which photons in the shell gradually diffuse out to the interstellar space. Then we investigate the possibility that radiation powered by the hydrodynamical interaction is the origin of an underluminous class of gamma-ray bursts.« less

Comparison of limb kinematics between collected and lengthened (medium/extended) trot in two groups of dressage horses on two different surfaces.

PubMed

Walker, V A; Tranquille, C A; Newton, J R; Dyson, S J; Brandham, J; Northrop, A J; Murray, R C

2017-09-01

Dressage horses are often asked to work in lengthened paces during training and competition, but to date there is limited information about the biomechanics of dressage-specific paces. Preliminary work has shown increased fetlock extension in extended compared with collected paces, but further investigation of the kinematic differences between collected, medium and extended trot in dressage horses is warranted. Investigation of the effect of collected vs. medium/extended trot on limb kinematics of dressage horses. Prospective kinematic evaluation. Twenty clinically sound horses in active dressage training were used. Group 1: Ten young horses (≤6 years) were assessed at collected and medium trot and Group 2: Ten mature horses (≥9 years) were assessed at collected and extended trot. All horses were evaluated on two different surfaces. High speed motion capture (240 Hz) was used to determine kinematic variables. Fore- and hindlimb angles were measured at mid-stance. Descriptive statistics and mixed effect multilevel regression analyses were performed. Speed and stride length were reduced and stride duration increased at collected compared with medium/extended trot. Lengthened trot (medium/extended trot) was associated with increased fetlock extension in both the fore- and hindlimbs in both groups of horses. Changes were greater in mature horses compared with young horses. Shoulder and carpus angles were associated with forelimb fetlock angle. Hock angle was not significantly influenced by pace. Surface had no effect on fetlock or hock angles. Only 2D motion analysis was carried out. Results may have differed in horses with more extreme gait characteristics. Medium/extended trot increases extension of the fore- and hindlimb fetlock joints compared with collected trot in both young and mature dressage horses, respectively. © 2017 EVJ Ltd.

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

Electromagnetic fields due to a horizontal electric dipole antenna laid on the surface of a two-layer medium

NASA Technical Reports Server (NTRS)

Tsang, L.; Kong, J. A.

1974-01-01

With applications to geophysical subsurface probings, electromagnetic fields due to a horizontal electric dipole laid on the surface of a two-layer medium are solved by a combination of analytic and numerical methods. Interference patterns are calculated for various layer thickness. The results are interpreted in terms of normal modes, and the accuracies of the methods are discussed.

Elastic medium equivalent to Fresnel's double-refraction crystal.

PubMed

Carcione, José M; Helbig, Klaus

2008-10-01

In 1821, Fresnel obtained the wave surface of an optically biaxial crystal, assuming that light waves are vibrations of the ether in which longitudinal vibrations (P waves) do not propagate. An anisotropic elastic medium mathematically analogous to Fresnel's crystal exists. The medium has four elastic constants: a P-wave modulus, associated with a spherical P wave surface, and three elastic constants, c(44), c(55), and c(66), associated with the shear waves, which are mathematically equivalent to the three dielectric permittivity constants epsilon(11), epsilon(22), and epsilon(33) as follows: mu(0)epsilon(11)<==>rho/c(44), mu(0)epsilon(22)<==>rho/c(55), mu(0)epsilon(33)<==>rho/c(66), where mu(0) is the magnetic permeability of vacuum and rho is the mass density. These relations also represent the equivalence between the elastic and electromagnetic wave velocities along the principal axes of the medium. A complete mathematical equivalence can be obtained by setting the P-wave modulus equal to zero, but this yields an unstable elastic medium (the hypothetical ether). To obtain stability the P-wave velocity has to be assumed infinite (incompressibility). Another equivalent Fresnel's wave surface corresponds to a medium with anomalous polarization. This medium is physically unstable even for a nonzero P-wave modulus.

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

Dynamic Eigenvalue Problem of Concrete Slab Road Surface

NASA Astrophysics Data System (ADS)

Pawlak, Urszula; Szczecina, Michał

2017-10-01

The paper presents an analysis of the dynamic eigenvalue problem of concrete slab road surface. A sample concrete slab was modelled using Autodesk Robot Structural Analysis software and calculated with Finite Element Method. The slab was set on a one-parameter elastic subsoil, for which the modulus of elasticity was separately calculated. The eigen frequencies and eigenvectors (as maximal vertical nodal displacements) were presented. On the basis of the results of calculations, some basic recommendations for designers of concrete road surfaces were offered.

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.

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

Diffusion dynamics of the Li+ ion on a model surface of amorphous carbon: a direct molecular orbital dynamics study.

PubMed

Tachikawa, Hiroto; Shimizu, Akira

2005-07-14

Diffusion processes of the Li+ ion on a model surface of amorphous carbon (Li+C96H24 system) have been investigated by means of the direct molecular orbital (MO) dynamics method at the semiempirical AM1 level. The total energy and energy gradient on the full-dimensional AM1 potential energy surface were calculated at each time step in the dynamics calculation. The optimized structure, where Li+ is located in the center of the cluster, was used as the initial structure at time zero. The dynamics calculation was carried out in the temperature range 100-1000 K. The calculations showed that the Li+ ion vibrates around the equilibrium point below 200 K, while the Li+ ion moves on the surface above 250 K. At intermediate temperatures (300 K < T < 400 K), the ion moves on the surface and falls in the edge regions of the cluster. At higher temperatures (600 K < T), the Li+ ion transfers freely on the surface and edge regions. The diffusion pathway of the Li+ ion was discussed on the basis of theoretical results.

Simulated dynamic response of a multi-stage compressor with variable molecular weight flow medium

NASA Technical Reports Server (NTRS)

Babcock, Dale A.

1995-01-01

A mathematical model of a multi-stage compressor with variable molecular weight flow medium is derived. The modeled system consists of a five stage, six cylinder, double acting, piston type compressor. Each stage is followed by a water cooled heat exchanger which serves to transfer the heat of compression from the gas. A high molecular weight gas (CFC-12) mixed with air in varying proportions is introduced to the suction of the compressor. Condensation of the heavy gas may occur in the upper stage heat exchangers. The state equations for the system are integrated using the Advanced Continuous Simulation Language (ACSL) for determining the system's dynamic and steady state characteristics under varying operating conditions.

Information storage medium and method of recording and retrieving information thereon

DOEpatents

Marchant, D. D.; Begej, Stefan

1986-01-01

Information storage medium comprising a semiconductor doped with first and second impurities or dopants. Preferably, one of the impurities is introduced by ion implantation. Conductive electrodes are photolithographically formed on the surface of the medium. Information is recorded on the medium by selectively applying a focused laser beam to discrete regions of the medium surface so as to anneal discrete regions of the medium containing lattice defects introduced by the ion-implanted impurity. Information is retrieved from the storage medium by applying a focused laser beam to annealed and non-annealed regions so as to produce a photovoltaic signal at each region.

Effects of temperature and surface orientation on migration behaviours of helium atoms near tungsten surfaces

NASA Astrophysics Data System (ADS)

Wang, Xiaoshuang; Wu, Zhangwen; Hou, Qing

2015-10-01

Molecular dynamics simulations were performed to study the dependence of migration behaviours of single helium atoms near tungsten surfaces on the surface orientation and temperature. For W{100} and W{110} surfaces, He atoms can quickly escape out near the surface without accumulation even at a temperature of 400 K. The behaviours of helium atoms can be well-described by the theory of continuous diffusion of particles in a semi-infinite medium. For a W{111} surface, the situation is complex. Different types of trap mutations occur within the neighbouring region of the W{111} surface. The trap mutations hinder the escape of He atoms, resulting in their accumulation. The probability of a He atom escaping into vacuum from a trap mutation depends on the type of the trap mutation, and the occurrence probabilities of the different types of trap mutations are dependent on the temperature. This finding suggests that the escape rate of He atoms on the W{111} surface does not show a monotonic dependence on temperature. For instance, the escape rate at T = 1500 K is lower than the rate at T = 1100 K. Our results are useful for understanding the structural evolution and He release on tungsten surfaces and for designing models in other simulation methods beyond molecular dynamics.

Solar collector having a solid transmission medium

DOEpatents

Schertz, William W.; Zwerdling, Solomon

1977-06-14

There is provided a radiant energy transmission device capable of operation in a concentrative mode in which energy incident on an entrance area is directed toward and concentrated on an exit area of smaller area than the entrance area. The device includes a solid radiant energy transmission medium having surfaces coincident with the entrance and exit areas and particularly contoured reflective side walls. The surface coinciding with the entrance area is coupled to a cover plate formed of a radiant energy transmissive material. An energy transducer is coupled to the surface of the medium coinciding with the exit area.

Optimization of critical medium components using response surface methodology for phenazine-1-carboxylic acid production by Pseudomonas sp. M-18Q.

PubMed

Yuan, Li-Li; Li, Ya-Qian; Wang, Yi; Zhang, Xue-Hong; Xu, Yu-Quan

2008-03-01

The optimal flask-shaking batch fermentation medium for phenazine-1-carboxylic acid (PCA) production by Pseudomonas sp. M-18Q, a qscR chromosomal inactivated mutant of the strain M18 was studied using statistical experimental design and analysis. The Plackett-Burman design (PBD) was used to evaluate the effects of eight medium components on the production of PCA, which showed that glucose and soytone were the most significant ingredients (P<0.05). The steepest ascent experiment was adopted to determine the optimal region of the medium composition. The optimum composition of the fermentation medium for maximum PCA yield, as determined on the basis of a five-level two-factor central composite design (CCD), was obtained by response surface methodology (RSM). The high correlation between the predicted and observed values indicated the validity of the model. A maximum PCA yield of 1240 mg/l was obtained at 17.81 g/l glucose and 11.47 g/l soytone, and the production was increased by 65.3% compared with that using the original medium, which was at 750 mg/l.

Optical dynamic deformation measurements at translucent materials.

PubMed

Philipp, Katrin; Koukourakis, Nektarios; Kuschmierz, Robert; Leithold, Christoph; Fischer, Andreas; Czarske, Jürgen

2015-02-15

Due to their high stiffness-to-weight ratio, glass fiber-reinforced polymers are an attractive material for rotors, e.g., in the aerospace industry. A fundamental understanding of the material behavior requires non-contact, in-situ dynamic deformation measurements. The high surface speeds and particularly the translucence of the material limit the usability of conventional optical measurement techniques. We demonstrate that the laser Doppler distance sensor provides a powerful and reliable tool for monitoring radial expansion at fast rotating translucent materials. We find that backscattering in material volume does not lead to secondary signals as surface scattering results in degradation of the measurement volume inside the translucent medium. This ensures that the acquired signal contains information of the rotor surface only, as long as the sample surface is rough enough. Dynamic deformation measurements of fast-rotating fiber-reinforced polymer composite rotors with surface speeds of more than 300 m/s underline the potential of the laser Doppler sensor.

Medium optimization for pyrroloquinoline quinone (PQQ) production by Methylobacillus sp. zju323 using response surface methodology and artificial neural network-genetic algorithm.

PubMed

Wei, Peilian; Si, Zhenjun; Lu, Yao; Yu, Qingfei; Huang, Lei; Xu, Zhinan

2017-08-09

Methylobacillus sp. zju323 was adopted to improve the biosynthesis of pyrroloquinoline quinone (PQQ) by systematic optimization of the fermentation medium. The Plackett-Burman design was implemented to screen for the key medium components for the PQQ production. CoCl 2  · 6H 2 O, ρ-amino benzoic acid, and MgSO 4  · 7H 2 O were found capable of enhancing the PQQ production most significantly. A five-level three-factor central composite design was used to investigate the direct and interactive effects of these variables. Both response surface methodology (RSM) and artificial neural network-genetic algorithm (ANN-GA) were used to predict the PQQ production and to optimize the medium composition. The results showed that the medium optimized by ANN-GA was better than that by RSM in maximizing PQQ production and the experimental PQQ concentration in the ANN-GA-optimized medium was improved by 44.3% compared with that in the unoptimized medium. Further study showed that this ANN-GA-optimized medium was also effective in improving PQQ production by fed-batch mode, reaching the highest PQQ accumulation of 232.0 mg/L, which was about 47.6% increase relative to that in the original medium. The present work provided an optimized medium and developed a fed-batch strategy which might be potentially applicable in industrial PQQ production.

Short- and medium-chain fatty acids enhance the cell surface expression and transport capacity of the bile salt export pump (BSEP/ABCB11).

PubMed

Kato, Takuya; Hayashi, Hisamitsu; Sugiyama, Yuichi

2010-09-01

The reduced expression of the bile salt export pump (BSEP/ABCB11) at the canalicular membrane is associated with cholestasis-induced hepatotoxicity due to the accumulation of bile acids in hepatocytes. We previously reported that 4-phenylbutyrate (4PBA), an approved drug for urea cycle disorders, is a promising agent for intrahepatic cholestasis because it increases both the cell surface expression and the transport capacity of BSEP. In the present study, we searched for effective compounds other than 4PBA by focusing on short- and medium-chain fatty acids, which have similar characteristics to 4PBA such as their low-molecular-weight and a carboxyl group. In transcellular transport studies using Madin-Darby canine kidney (MDCK) II cells, all short- and medium-chain fatty acids tested except for formate, acetate, and hexanoic acid showed more potent effects on wild type (WT) BSEP-mediated [3H]taurocholate transport than did 4PBA. The increase in WT BSEP transport with butyrate and octanoic acid treatment correlated with an increase in its expression at the cell surface. Two PFIC2-type variants, E297G and D482G BSEP, were similarly affected with both compounds treatment. The prolonged half-life of cell surface-resident WT BSEP was responsible for this increased octanoic acid-stimulated transport, but not for that of butyrate. In conclusion, short- and medium-chain fatty acids have potent effects on the increase in WT and PFIC2-type BSEP-mediated transport in MDCK II cells. Although both short- and medium-chain fatty acids enhance the transport capacity of WT and PFIC2-type BSEP by inducing those expressions at the cell surface, the underlying mechanism seems to differ between fatty acids. 2010 Elsevier B.V. All rights reserved.

Alternating air-medium exposure in rotating bioreactors optimizes cell metabolism in 3D novel tubular scaffold polyurethane foams.

PubMed

Tresoldi, Claudia; Stefani, Ilaria; Ferracci, Gaia; Bertoldi, Serena; Pellegata, Alessandro F; Farè, Silvia; Mantero, Sara

2017-04-26

In vitro dynamic culture conditions play a pivotal role in developing engineered tissue grafts, where the supply of oxygen and nutrients, and waste removal must be permitted within construct thickness. For tubular scaffolds, mass transfer is enhanced by introducing a convective flow through rotating bioreactors with positive effects on cell proliferation, scaffold colonization and extracellular matrix deposition. We characterized a novel polyurethane-based tubular scaffold and investigated the impact of 3 different culture configurations over cell behavior: dynamic (i) single-phase (medium) rotation and (ii) double-phase exposure (medium-air) rotation; static (iii) single-phase static culture as control. A new mixture of polyol was tested to create polyurethane foams (PUFs) as 3D scaffold for tissue engineering. The structure obtained was morphologically and mechanically analyzed tested. Murine fibroblasts were externally seeded on the novel porous PUF scaffold, and cultured under different dynamic conditions. Viability assay, DNA quantification, SEM and histological analyses were performed at different time points. The PUF scaffold presented interesting mechanical properties and morphology adequate to promote cell adhesion, highlighting its potential for tissue engineering purposes. Results showed that constructs under dynamic conditions contain enhanced viability and cell number, exponentially increased for double-phase rotation; under this last configuration, cells uniformly covered both the external surface and the lumen. The developed 3D structure combined with the alternated exposure to air and medium provided the optimal in vitro biochemical conditioning with adequate nutrient supply for cells. The results highlight a valuable combination of material and dynamic culture for tissue engineering applications.

Influence of water table fluctuations on subsurface methane dynamics and surface fluxes in seasonally flooded subtropical pastures.

NASA Astrophysics Data System (ADS)

Chamberlain, S.; Gomez-Casanovas, N.; Boughton, E.; Keel, E.; Walter, M. T.; Groffman, P. M.; Sparks, J. P.

2015-12-01

Seasonally flooded subtropical pastures are major sources of methane (CH4), and periodic flooding drives complex emission dynamics from these ecosystems. Understanding the mechanisms of belowground CH4 dynamics driving soil surface fluxes is needed to better understand emissions from these systems and their response to environmental change. We investigated subsurface CH4 dynamics in relation to net surface fluxes using laboratory water table manipulations and compared these results to eddy covariance-measured fluxes to link within-soil CH4 dynamics to observed ecosystem fluxes. Pronounced hysteresis was observed in ecosystem CH4 fluxes during precipitation driven flooding events. This dynamic was replicated in mesocosm experiments, with maximum CH4 fluxes observed during periods of water table recession. Hysteresis dynamics were best explained by oxygen dynamics during precipitation recharge events and the oxidation of CH4 produced in organic soil horizons during water table recession. We observed distinct CH4 dynamics between surface organic and deeper mineral soil horizons. In surface organic soil horizons, high levels of CH4 production were temporally linked to observed surface emissions. In contrast, high concentrations of CH4 observed in deeper mineral soils did not contribute to surface fluxes. Methane production potentials in surface organic soils were orders of magnitude higher than in mineral soils, suggesting that over longer flooding regimes CH4 produced in mineral horizons is unlikely to be a significant component of net surface emissions. Our results demonstrate that distinct CH4 dynamics may be stratified by depth, and flooding of the near-surface organic soils drives the high magnitude CH4 fluxes observed from subtropical pastures. These results suggest that relatively small changes in pasture water table dynamics can drive large changes in net CH4 emissions if surface organic soils remain saturated over longer time scales.

Accelerated sampling by infinite swapping of path integral molecular dynamics with surface hopping

NASA Astrophysics Data System (ADS)

Lu, Jianfeng; Zhou, Zhennan

2018-02-01

To accelerate the thermal equilibrium sampling of multi-level quantum systems, the infinite swapping limit of a recently proposed multi-level ring polymer representation is investigated. In the infinite swapping limit, the ring polymer evolves according to an averaged Hamiltonian with respect to all possible surface index configurations of the ring polymer and thus connects the surface hopping approach to the mean-field path-integral molecular dynamics. A multiscale integrator for the infinite swapping limit is also proposed to enable efficient sampling based on the limiting dynamics. Numerical results demonstrate the huge improvement of sampling efficiency of the infinite swapping compared with the direct simulation of path-integral molecular dynamics with surface hopping.

Dynamic bioactive stimuli-responsive polymeric surfaces

NASA Astrophysics Data System (ADS)

Pearson, Heather Marie

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

Surface nanobubble nucleation dynamics during water-ethanol exchange

NASA Astrophysics Data System (ADS)

Chan, Chon U.; Ohl, Claus-Dieter

2015-11-01

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

Molecular dynamics study of nanodroplet diffusion on smooth solid surfaces

NASA Astrophysics Data System (ADS)

Niu, Zhao-Xia; Huang, Tao; Chen, Yong

2018-10-01

We perform molecular dynamics simulations of Lennard-Jones particles in a canonical ensemble to study the diffusion of nanodroplets on smooth solid surfaces. Using the droplet-surface interaction to realize a hydrophilic or hydrophobic surface and calculating the mean square displacement of the center-of-mass of the nanodroplets, the random motion of nanodroplets could be characterized by shorttime subdiffusion, intermediate-time superdiffusion, and long-time normal diffusion. The short-time subdiffusive exponent increases and almost reaches unity (normal diffusion) with decreasing droplet size or enhancing hydrophobicity. The diffusion coefficient of the droplet on hydrophobic surfaces is larger than that on hydrophilic surfaces.

ESR and PALS detection of the dynamic crossover in the supercooled liquid states of short and medium-sized n-alkanes

NASA Astrophysics Data System (ADS)

Bartoš, J.; Zgardzinska, B.; Švajdlenková, H.; Lukešová, M.; Zaleski, R.

2018-05-01

A joint study of the spin probe TEMPO dynamics by ESR and the annihilation rate of ortho-positronium by PALS in four short-and medium-sized n-alkanes is presented. In addition to the usually observed changes in both the reorientation dynamics and size of free volumes at the temperature of melting, Tm, and solid-solid phase transition, Tss, an additional coincidence between the characteristic ESR and PALS temperatures TX1fast ≅ Tb1sol < Tm, Tss was found. The phenomenological analysis of the viscosity data of n-alkanes using the power law equation indicates a presence of locally disordered regions in which the dynamic change occurs at the crossover temperature TX ≅ TX1fast ≅ Tb1sol.

The estimation of dynamic contact angle of ultra-hydrophobic surfaces using inclined surface and impinging droplet methods

NASA Astrophysics Data System (ADS)

Jasikova, Darina; Kotek, Michal

2014-03-01

The development of industrial technology also brings with optimized surface quality, particularly where there is contact with food. Application ultra-hydrophobic surface significantly reduces the growth of bacteria and facilitates cleaning processes. Testing and evaluation of surface quality are used two methods: impinging droplet and inclined surface method optimized with high speed shadowgraphy, which give information about dynamic contact angle. This article presents the results of research into new methods of measuring ultra-hydrophobic patented technology.

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.

Statistical optimization of medium components and growth conditions by response surface methodology to enhance phenol degradation by Pseudomonas putida.

PubMed

Annadurai, Gurusamy; Ling, Lai Yi; Lee, Jiunn-Fwu

2008-02-28

In this work, a four-level Box-Behnken factorial design was employed combining with response surface methodology (RSM) to optimize the medium composition for the degradation of phenol by pseudomonas putida (ATCC 31800). A mathematical model was then developed to show the effect of each medium composition and their interactions on the biodegradation of phenol. Response surface method was using four levels like glucose, yeast extract, ammonium sulfate and sodium chloride, which also enabled the identification of significant effects of interactions for the batch studies. The biodegradation of phenol on Pseudomonas putida (ATCC 31800) was determined to be pH-dependent and the maximum degradation capacity of microorganism at 30 degrees C when the phenol concentration was 0.2 g/L and the pH of the solution was 7.0. Second order polynomial regression model was used for analysis of the experiment. Cubic and quadratic terms were incorporated into the regression model through variable selection procedures. The experimental values are in good agreement with predicted values and the correlation coefficient was found to be 0.9980.

Air entrainment in hairy surfaces

NASA Astrophysics Data System (ADS)

Nasto, Alice; Regli, Marianne; Brun, P.-T.; Alvarado, José; Clanet, Christophe; Hosoi, A. E.

2016-07-01

Motivated by diving semiaquatic mammals, we investigate the mechanism of dynamic air entrainment in hairy surfaces submerged in liquid. Hairy surfaces are cast out of polydimethylsiloxane elastomer and plunged into a fluid bath at different velocities. Experimentally, we find that the amount of air entrained is greater than what is expected for smooth surfaces. Theoretically, we show that the hairy surface can be considered as a porous medium and we describe the air entrainment via a competition between the hydrostatic forcing and the viscous resistance in the pores. A phase diagram that includes data from our experiments and biological data from diving semiaquatic mammals is included to place the model system in a biological context and predict the regime for which the animal is protected by a plastron of air.

Dynamics of clogging in drying porous media

NASA Astrophysics Data System (ADS)

Kaplan, C. Nadir; Mahadevan, L.

2014-11-01

Drying in porous media pervades a range of phenomena from brine evaporation arrested in porous bricks, causing efflorescence, i.e. salt aggregation on the surface where vapor leaves the medium, to clogging of reservoir rocks via salt precipitation when carbon dioxide is injected for geological storage. During the process of drying, the permeability and porosity of the medium may change due to the solute accumulation as a function of the particle concentration, in turn affecting the evaporation rate and the dynamics of the fluid flow imposed by it. To examine the dynamics of these coupled quantities, we develop a multiphase model of the particulate flow of a saline suspension in a porous medium, induced by evaporation. We further provide dimensional arguments as to how the salt concentration and the resulting change in permeability determine the transition between efflorescence and salt precipitation in the bulk. This research was supported by the Air Force Office of Scientific Research (AFOSR) under Award FA9550-09-1-0669-DOD35CAP and the Kavli Institute for Bionano Science and Technology at Harvard University.

Dynamic Bubble Surface Tension Measurements in Northwest Atlantic Seawater

NASA Astrophysics Data System (ADS)

Kieber, D. J.; Long, M. S.; Keene, W. C.; Kinsey, J. D.; Frossard, A. A.; Beaupre, S. R.; Duplessis, P.; Maben, J. R.; Lu, X.; Chang, R.; Zhu, Y.; Bisgrove, J.

2017-12-01

Numerous reports suggest that most organic matter (OM) associated with newly formed primary marine aerosol (PMA) originates from the sea-surface microlayer. However, surface-active OM rapidly adsorbs onto bubble surfaces in the water column and is ejected into the atmosphere when bubbles burst at the air-water interface. Here we present dynamic surface tension measurements of bubbles produced in near surface seawater from biologically productive and oligotrophic sites and in deep seawater collected from 2500 m in the northwest Atlantic. In all cases, the surface tension of bubble surfaces decreased within seconds after the bubbles were exposed to seawater. These observations demonstrate that bubble surfaces are rapidly saturated by surfactant material scavenged from seawater. Spatial and diel variability in bubble surface evolution indicate corresponding variability in surfactant concentrations and/or composition. Our results reveal that surface-active OM is found throughout the water column, and that at least some surfactants are not of recent biological origin. Our results also support the hypothesis that the surface microlayer is a minor to negligible source of OM associated with freshly produced PMA.

Life-space foam: A medium for motivational and cognitive dynamics

NASA Astrophysics Data System (ADS)

Ivancevic, Vladimir; Aidman, Eugene

2007-08-01

General stochastic dynamics, developed in a framework of Feynman path integrals, have been applied to Lewinian field-theoretic psychodynamics [K. Lewin, Field Theory in Social Science, University of Chicago Press, Chicago, 1951; K. Lewin, Resolving Social Conflicts, and, Field Theory in Social Science, American Psychological Association, Washington, 1997; M. Gold, A Kurt Lewin Reader, the Complete Social Scientist, American Psychological Association, Washington, 1999], resulting in the development of a new concept of life-space foam (LSF) as a natural medium for motivational and cognitive psychodynamics. According to LSF formalisms, the classic Lewinian life space can be macroscopically represented as a smooth manifold with steady force fields and behavioral paths, while at the microscopic level it is more realistically represented as a collection of wildly fluctuating force fields, (loco)motion paths and local geometries (and topologies with holes). A set of least-action principles is used to model the smoothness of global, macro-level LSF paths, fields and geometry. To model the corresponding local, micro-level LSF structures, an adaptive path integral is used, defining a multi-phase and multi-path (multi-field and multi-geometry) transition process from intention to goal-driven action. Application examples of this new approach include (but are not limited to) information processing, motivational fatigue, learning, memory and decision making.

The influence of cosmic rays on the stability and large-scale dynamics of the interstellar medium

NASA Astrophysics Data System (ADS)

Kuznetsov, V. D.

1986-06-01

The diffusion-convection formulation is used to study the influence of galactic cosmic rays on the stability and dynamics of the interstellar medium which is supposedly kept in equilibrium by the gravitational field of stars. It is shown that the influence of cosmic rays on the growth rate of MHD instability depends largely on a dimensionless parameter expressing the ratio of the characteristic acoustic time scale to the cosmic-ray diffusion time. If this parameter is small, the cosmic rays will decelerate the build-up of instabilities, thereby stabilizing the system; in contrast, if the parameter is large, the system will be destabilized.

Properties of tetrahedral clusters and medium range order in GaN during rapid solidification

NASA Astrophysics Data System (ADS)

Gao, Tinghong; Li, Yidan; Yao, Zhenzhen; Hu, Xuechen; Xie, Quan

2017-12-01

The solidification process of liquid gallium nitride has been studied by molecular dynamics simulation using the Stillinger-Weber potential at cooling rate of 10 K/ps. The structural properties of gallium nitride during the rapid cooling process were investigated in detail by the radial distribution functions, Voronoi polyhedron index and the visualization technology. The amorphous structures were formed with many medium range order structures at 200 K. The <4 0 0 0> polyhedron as the main polyhedron was more stable than other polyhedron in GaN during the quenching process. The cubic and hexahedral medium range order structures were formed by the close link between <4 0 0 0> polyhedron. The cubic crystal structures grew up through the crystalline surface by a layer-by-layer method to become more stable structures during the quenching process.

Modeling apple surface temperature dynamics based on weather data.

PubMed

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

2014-10-27

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

Modeling Apple Surface Temperature Dynamics Based on Weather Data

PubMed Central

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

2014-01-01

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

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.

Investigation of dynamic characteristics of a rotor system with surface coatings

NASA Astrophysics Data System (ADS)

Yang, Yang; Cao, Dengqing; Wang, Deyou

2017-02-01

A Jeffcott rotor system with surface coatings capable of describing the mechanical vibration resulting from unbalance and rub-impact is formulated in this article. A contact force model proposed recently to describe the impact force between the disc and casing with coatings is employed to do the dynamic analysis for the rotor system with rubbing fault. Due to the variation of penetration, the contact force model is correspondingly modified. Meanwhile, the Coulomb friction model is applied to simulate the friction characteristics. Then, the case study of rub-impact with surface coatings is simulated by the Runge-Kutta method, in which a linear interpolation method is adopted to predict the rubbing instant. Moreover, the dynamic characteristics of the rotor system with surface coatings are analyzed in terms of bifurcation plot, waveform, whirl orbit, Poincaré map and spectrum plot. And the effects of the hardness of surface coatings on the response are investigated as well. Finally, compared with the classical models, the modified contact force model is shown to be more suitable to solve the rub-impact of aero-engine with surface coatings.

Optimization of culture medium for novel cell-associated tannase production from Bacillus massiliensis using response surface methodology.

PubMed

Belur, Prasanna D; Goud, Rakesh; Goudar, Dinesh C

2012-02-01

Naturally immobilized tannase (tannin acyl hydrolase, E.C. 3.1.1.20) has many advantages, as it avoids the expensive and laborious operation of isolation, purification, and immobilization, plus it is highly stable in adverse pH and temperature. However, in the case of cell-associated enzymes, since the enzyme is associated with the biomass, separation of the pure biomass is necessary. However, tannic acid, a known inducer of tannase, forms insoluble complexes with media proteins, making it difficult to separate pure biomass. Therefore, this study optimizes the production of cell-associated tannase using a "protein-tannin complex" free media. An exploratory study was first conducted in shake-flasks to select the inducer, carbon source, and nitrogen sources. As a result it was found that gallic acid induces tannase synthesis, a tryptose broth gives higher biomass, and lactose supplementation is beneficial. The medium was then optimized using response surface methodology based on the full factorial central composite design in a 3 l bioreactor. A 2(3) factorial design augmented by 7 axial points (alpha = 1.682) and 2 replicates at the center point was implemented in 17 experiments. A mathematical model was also developed to show the effect of each medium component and their interactions on the production of cell-associated tannase. The validity of the proposed model was verified, and the optimized medium was shown to produce maximum cell-associated tannase activity of 9.65 U/l, which is 93.8% higher than the activity in the basal medium, after 12 h at pH 5.0, 30 degrees C. The optimum medium consists of 38 g/l lactose, 50 g/l tryptose, and 2.8 g/l gallic acid.

Applying Parallel Adaptive Methods with GeoFEST/PYRAMID to Simulate Earth Surface Crustal Dynamics

NASA Technical Reports Server (NTRS)

Norton, Charles D.; Lyzenga, Greg; Parker, Jay; Glasscoe, Margaret; Donnellan, Andrea; Li, Peggy

2006-01-01

This viewgraph presentation reviews the use Adaptive Mesh Refinement (AMR) in simulating the Crustal Dynamics of Earth's Surface. AMR simultaneously improves solution quality, time to solution, and computer memory requirements when compared to generating/running on a globally fine mesh. The use of AMR in simulating the dynamics of the Earth's Surface is spurred by future proposed NASA missions, such as InSAR for Earth surface deformation and other measurements. These missions will require support for large-scale adaptive numerical methods using AMR to model observations. AMR was chosen because it has been successful in computation fluid dynamics for predictive simulation of complex flows around complex structures.

Fluorescence quenching studies of potential-dependent DNA reorientation dynamics at glassy carbon electrode surfaces.

PubMed

Li, Qin; Cui, Chenchen; Higgins, Daniel A; Li, Jun

2012-09-05

The potential-dependent reorientation dynamics of double-stranded DNA (ds-DNA) attached to planar glassy carbon electrode (GCE) surfaces were investigated. The orientation state of surface-bound ds-DNA was followed by monitoring the fluorescence from a 6-carboxyfluorescein (FAM6) fluorophore covalently linked to the distal end of the DNA. Positive potentials (i.e., +0.2 V vs open circuit potential, OCP) caused the ds-DNA to align parallel to the electrode surface, resulting in strong dipole-electrode quenching of FAM6 fluorescence. Switching of the GCE potential to negative values (i.e., -0.2 V vs OCP) caused the ds-DNA to reorient perpendicular to the electrode surface, with a concomitant increase in FAM6 fluorescence. In addition to the very fast (submilliseconds) dynamics of the initial reorientation process, slow (0.1-0.9 s) relaxation of FAM6 fluorescence to intermediate levels was also observed after potential switching. These dynamics have not been previously described in the literature. They are too slow to be explained by double layer charging, and chronoamperometry data showed no evidence of such effects. Both the amplitude and rate of the dynamics were found to depend upon buffer concentration, and ds-DNA length, demonstrating a dependence on the double layer field. The dynamics are concluded to arise from previously undetected complexities in the mechanism of potential-dependent ds-DNA reorientation. The possible origins of these dynamics are discussed. A better understanding of these dynamics will lead to improved models for potential-dependent ds-DNA reorientation at electrode surfaces and will facilitate the development of advanced electrochemical devices for detection of target DNAs.

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

Dynamic Melting of Freezing Droplets on Ultraslippery Superhydrophobic Surfaces.

PubMed

Chu, Fuqiang; Wu, Xiaomin; Wang, Lingli

2017-03-08

Condensed droplet freezing and freezing droplet melting phenomena on the prepared ultraslippery superhydrophobic surface were observed and discussed in this study. Although the freezing delay performance of the surface is common, the melting of the freezing droplets on the surface is quite interesting. Three self-propelled movements of the melting droplets (ice- water mixture) were found including the droplet rotating, the droplet jumping, and the droplet sliding. The melting droplet rotating, which means that the melting droplet rotates spontaneously on the superhydrophobic surface like a spinning top, is first reported in this study and may have some potential applications in various engineering fields. The melting droplet jumping and sliding are similar to those occurring during condensation but have larger size scale and motion scale, as the melting droplets have extra-large specific surface area with much more surface energy available. These self-propelled movements make all the melting droplets on the superhydrophobic surface dynamic, easily removed, which may be promising for the anti-icing/frosting applications.

Kink dynamics in a one-dimensional growing surface

NASA Astrophysics Data System (ADS)

Politi, Paolo

1998-07-01

A high-symmetry crystal surface may undergo a kinetic instability during the growth, such that its late stage evolution resembles a phase separation process. This parallel is rigorous in one dimension, if the conserved surface current is derivable from a free energy. We study the problem in the presence of a physically relevant term breaking the up-down symmetry of the surface and that cannot be derived from a free energy. Following the treatment introduced by Kawasaki and Ohta [Physica A 116, 573 (1982)] for the symmetric case, we are able to translate the problem of the surface evolution into a problem of nonlinear dynamics of kinks (domain walls). Because of the break of symmetry, two different classes (A and B) of kinks appear and their analytical form is derived. The effect of the adding term is to shrink a kink A and to widen the neighboring kink B in such a way that the product of their widths keeps constant. Concerning the dynamics, this implies that kinks A move much faster than kinks B. Since the kink profiles approach exponentially the asymptotical values, the time dependence of the average distance L(t) between kinks does not change: L(t)~lnt in the absence of noise, and L(t)~t1/3 in the presence of (shot) noise. However, the crossover time between the first and the second regime may increase even of some orders of magnitude. Finally, our results show that kinks A may be so narrow that their width is comparable to the lattice constant: in this case, they indeed represent a discontinuity of the surface slope, that is, an angular point, and a different approach to coarsening should be used.

Influence of surface oxidation on ion dynamics and capacitance in porous and nonporous carbon electrodes

DOE PAGES

Dyatkin, Boris; Zhang, Yu; Mamontov, Eugene; ...

2016-04-07

Here, we investigate the influence of surface chemistry and ion confinement on capacitance and electrosorption dynamics of room-temperature ionic liquids (RTILs) in supercapacitors. Using air oxidation and vacuum annealing, we produced defunctionalized and oxygen-rich surfaces of carbide-derived carbons (CDCs) and graphene nanoplatelets (GNPs). While oxidized surfaces of porous CDCs improve capacitance and rate handling abilities of ions, defunctionalized nonporous GNPs improve charge storage densities on planar electrodes. Quasi-elastic neutron scattering (QENS) and inelastic neutron scattering (INS) probed the structure, dynamics, and orientation of RTIL ions confined in divergently functionalized pores. Oxidized, ionophilic surfaces draw ions closer to pore surfaces andmore » enhance potential-driven ion transport during electrosorption. Molecular dynamics (MD) simulations corroborated experimental data and demonstrated the significance of surface functional groups on ion orientations, accumulation densities, and capacitance.« less

Generation of a medium vacuum pressure by using two different pumping methods in the KRISS dynamic flow-control system

NASA Astrophysics Data System (ADS)

Hong, S. S.; Lim, J. Y.; Khan, W.

2014-02-01

Pumping systems with large vacuum chambers have numerous applications in the process industry: for example, mixing of various types of gases as in the semiconductor industry, the calibration of vacuum gauges, the measurement of outgassing rates of various materials in the field of space technology, etc. Most often, these systems are used in the medium vacuum range (10-1 Pa-102 Pa) and in the dynamically-generated pressure mode. We have designed and developed a new dynamic flow system at the KRISS (Korea Research Institute of Standards and Science) that can be used for such applications with reliability in the range from 0.1 Pa - 133 Pa. In this report, the design philosophy, operational procedure and experimental data for the generated stable pressure points in the chamber of the system are discussed. The data consist the pressure points generated in the medium vacuum range while pumping the chamber of the system by using two different methods: first by using a dry scroll pump and then by using a combination of a turbomolecular pump backed by the same scroll pump. The relative standard deviations in the pressure points were calculated and were found to be greater than 1.5% for the scroll pump and less than 0.5% for the turbomolecular pump.

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.

Surface dynamics and mechanics in liquid crystal polymer coatings

NASA Astrophysics Data System (ADS)

Liu, Danqing; Broer, Dirk J.

2015-03-01

Based on liquid crystal networks we developed `smart' coatings with responsive surface topographies. Either by prepatterning or by the formation of self-organized structures they can be switched on and off in a pre-designed manner. Here we provide an overview of our methods to generate coatings that form surface structures upon the actuation by light. The coating oscillates between a flat surface and a surface with pre-designed 3D micro-patterns by modulating a light source. With recent developments in solid state lighting, light is an attractive trigger medium as it can be integrated in a device for local control or can be used remotely for flood or localized exposure. The basic principle of formation of surface topographies is based on the change of molecular organization in ordered liquid crystal polymer networks. The change in order leads to anisotropic dimensional changes with contraction along the director and expansion to the two perpendicular directions and an increase in volume by the formation of free volume. These two effects work in concert to provide local expansion and contraction in the coating steered by the local direction of molecular orientation. The surface deformation, expressed as the height difference between the activated regions and the non-activated regions divided by the initial film thickness, is of the order of 20%. Switching occurs immediately when the light is switched `on' and `off' and takes several tens of seconds.

Anomalous behavior in temporal evolution of ripple wavelength under medium energy Ar{sup +}-ion bombardment on Si: A case of initial wavelength selection

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

Garg, Sandeep Kumar; Inter-University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067; Cuerno, Rodolfo

We have studied the early stage dynamics of ripple patterns on Si surfaces, in the fluence range of 1–3 × 10{sup 18} ions cm{sup −2}, as induced by medium energy Ar{sup +}-ion irradiation at room temperature. Under our experimental conditions, the ripple evolution is found to be in the linear regime, while a clear decreasing trend in the ripple wavelength is observed up to a certain time (fluence). Numerical simulations of a continuum model of ion-sputtered surfaces suggest that this anomalous behavior is due to the relaxation of the surface features of the experimental pristine surface during the initial stage of patternmore » formation. The observation of this hitherto unobserved behavior of the ripple wavelength seems to have been enabled by the use of medium energy ions, where the ripple wavelengths are found to be order(s) of magnitude larger than those at lower ion energies.« less

Dust Dynamics Near Planetary Surfaces

NASA Astrophysics Data System (ADS)

Colwell, Joshua; Hughes, Anna; Grund, Chris

Observations of a lunar "horizon glow" by several Surveyor spacecraft in the 1960s opened the study of the dynamics of charged dust particles near planetary surfaces. The surfaces of the Moon and other airless planetary bodies in the solar system (asteroids, and other moons) are directly exposed to the solar wind and ionizing solar ultraviolet radiation, resulting in a time-dependent electric surface potential. Because these same objects are also exposed to bombardment by micrometeoroids, the surfaces are usually characterized by a power-law size distribution of dust that extends to sub-micron-sized particles. Individual particles can acquire a charge different from their surroundings leading to electrostatic levitation. Once levitated, particles may simply return to the surface on nearly ballistic trajectories, escape entirely from the moon or asteroid if the initial velocity is large, or in some cases be stably levitated for extended periods of time. All three outcomes have observable consequences. Furthermore, the behavior of charged dust near the surface has practical implications for planned future manned and unmanned activities on the lunar surface. Charged dust particles also act as sensitive probes of the near-surface plasma environment. Recent numerical modeling of dust levitation and transport show that charged micron-sized dust is likely to accumulate in topographic lows such as craters, providing a mechanism for the creation of dust "ponds" observed on the asteroid 433 Eros. Such deposition can occur when particles are supported by the photoelectron sheath above the dayside and drift over shadowed regions of craters where the surface potential is much smaller. Earlier studies of the lunar horizon glow are consistent with those particles being on simple ballistic trajectories following electrostatic launching from the surface. Smaller particles may be accelerated from the lunar surface to high altitudes consistent with observations of high altitude

Simulations of Gamma-Ray Burst Jets in a Stratified External Medium: Dynamics, Afterglow Light Curves, Jet Breaks, and Radio Calorimetry

NASA Astrophysics Data System (ADS)

De Colle, Fabio; Ramirez-Ruiz, Enrico; Granot, Jonathan; Lopez-Camara, Diego

2012-05-01

The dynamics of gamma-ray burst (GRB) jets during the afterglow phase is most reliably and accurately modeled using hydrodynamic simulations. All published simulations so far, however, have considered only a uniform external medium, while a stratified external medium is expected around long duration GRB progenitors. Here, we present simulations of the dynamics of GRB jets and the resulting afterglow emission for both uniform and stratified external media with ρextvpropr -k for k = 0, 1, 2. The simulations are performed in two dimensions using the special relativistic version of the Mezcal code. Common to all calculations is the initiation of the GRB jet as a conical wedge of half-opening angle θ0 = 0.2 whose radial profile is taken from the self-similar Blandford-McKee solution. The dynamics for stratified external media (k = 1, 2) are broadly similar to those derived for expansion into a uniform external medium (k = 0). The jet half-opening angle is observed to start increasing logarithmically with time (or radius) once the Lorentz factor Γ drops below θ-1 0. For larger k values, however, the lateral expansion is faster at early times (when Γ > θ-1 0) and slower at late times with the jet expansion becoming Newtonian and slowly approaching spherical symmetry over progressively longer timescales. We find that, contrary to analytic expectations, there is a reasonably sharp jet break in the light curve for k = 2 (a wind-like external medium), although the shape of the break is affected more by the viewing angle (for θobs <= θ0) than by the slope of the external density profile (for 0 <= k <= 2). Steeper density profiles (i.e., increasing k values) are found to produce more gradual jet breaks while larger viewing angles cause smoother and later appearing jet breaks. The counterjet becomes visible as it becomes sub-relativistic, and for k = 0 this results in a clear bump-like feature in the light curve. However, for larger k values the jet decelerates more

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.

Optimization of critical medium components using response surface methodology for biomass and extracellular polysaccharide production by Agaricus blazei.

PubMed

Liu, Gao-Qiang; Wang, Xiao-Ling

2007-02-01

Response surface methodology (RSM) was applied to optimize the critical medium ingredients of Agaricus blazei. A three-level Box-Behnken factorial design was employed to determine the maximum biomass and extracellular polysaccharide (EPS) yields at optimum levels for glucose, yeast extract (YE), and peptone. A mathematical model was then developed to show the effect of each medium composition and its interactions on the production of mycelial biomass and EPS. The model predicted the maximum biomass yield of 10.86 g/l that appeared at glucose, YE, peptone of 26.3, 6.84, and 6.62 g/l, respectively, while a maximum EPS yield of 348.4 mg/l appeared at glucose, YE, peptone of 28.4, 4.96, 5.60 g/l, respectively. These predicted values were also verified by validation experiments. The excellent correlation between predicted and measured values of each model justifies the validity of both the response models. The results of bioreactor fermentation also show that the optimized culture medium enhanced both biomass (13.91 +/- 0.71 g/l) and EPS (363 +/- 4.1 mg/l) production by Agaricus blazei in a large-scale fermentation process.

Oxidation-driven surface dynamics on NiAl(100)

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

Qin, Hailang; Chen, Xidong; Li, Liang

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

Oxidation-driven surface dynamics on NiAl(100)

DOE PAGES

Qin, Hailang; Chen, Xidong; Li, Liang; ...

2014-12-29

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

The Dynamics of a Five-level (Double Λ)-type Atom Interacting with Two-mode Field in a Cross Kerr-like Medium

NASA Astrophysics Data System (ADS)

Obada, A.-S. F.; Ahmed, M. M. A.; Farouk, Ahmed M.

2018-04-01

In this paper, we propose a new transition scheme (Double Λ) for the interaction between a five-level atom and an electromagnetic field and study its dynamics in the presence of a cross Kerr-like medium in the exact-resonance case. The wave function is derived when the atom is initially prepared in its upper most state, and the field is initially prepared in the coherent state. We studied the atomic population inversion, the coherence degree by studying the second-order correlation function, Cauchy-Schwartz inequality (CSI) and the relation with P-function. Finally, we investigate the effect of Kerr-like medium on the evolution of Husimi Q-function of the considered system.

Dynamic placement of plasmonic hotspots for super-resolution surface-enhanced Raman scattering.

PubMed

Ertsgaard, Christopher T; McKoskey, Rachel M; Rich, Isabel S; Lindquist, Nathan C

2014-10-28

In this paper, we demonstrate dynamic placement of locally enhanced plasmonic fields using holographic laser illumination of a silver nanohole array. To visualize these focused "hotspots", the silver surface was coated with various biological samples for surface-enhanced Raman spectroscopy (SERS) imaging. Due to the large field enhancements, blinking behavior of the SERS hotspots was observed and processed using a stochastic optical reconstruction microscopy algorithm enabling super-resolution localization of the hotspots to within 10 nm. These hotspots were then shifted across the surface in subwavelength (<100 nm for a wavelength of 660 nm) steps using holographic illumination from a spatial light modulator. This created a dynamic imaging and sensing surface, whereas static illumination would only have produced stationary hotspots. Using this technique, we also show that such subwavelength shifting and localization of plasmonic hotspots has potential for imaging applications. Interestingly, illuminating the surface with randomly shifting SERS hotspots was sufficient to completely fill in a wide field of view for super-resolution chemical imaging.

Role of oxygen functional groups for structure and dynamics of interfacial water on low rank coal surface: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

You, Xiaofang; Wei, Hengbin; Zhu, Xianchang; Lyu, Xianjun; Li, Lin

2018-07-01

Molecular dynamics simulations were employed to study the effects of oxygen functional groups for structure and dynamics properties of interfacial water molecules on the subbituminous coal surface. Because of complex composition and structure, the graphite surface modified by hydroxyl, carboxyl and carbonyl groups was used to represent the surface model of subbituminous coal according to XPS results, and the composing proportion for hydroxyl, carbonyl and carboxyl is 25:3:5. The hydration energy with -386.28 kJ/mol means that the adsorption process between water and coal surface is spontaneous. Density profiles for oxygen atoms and hydrogen atoms indicate that the coal surface properties affect the structural and dynamic characteristics of the interfacial water molecules. The interfacial water exhibits much more ordering than bulk water. The results of radial distribution functions, mean square displacement and local self-diffusion coefficient for water molecule related to three oxygen moieties confirmed that the water molecules prefer to absorb with carboxylic groups, and adsorption of water molecules at the hydroxyl and carbonyl is similar.

The dynamical properties of a Rydberg hydrogen atom between two parallel metal surfaces

NASA Astrophysics Data System (ADS)

Liu, Wei; Li, Hong-Yun; Yang, Shan-Ying; Lin, Sheng-Lu

2011-03-01

This paper presents the dynamical properties of a Rydberg hydrogen atom between two metal surfaces using phase space analysis methods. The dynamical behaviour of the excited hydrogen atom depends sensitively on the atom—surface distance d. There exists a critical atom—surface distance dc = 1586 a.u. When the atom—surface distance d is larger than the critical distance dc, the image charge potential is less important than the Coulomb potential, the system is near-integrable and the electron motion is regular. As the distance d decreases, the system will tend to be non-integrable and unstable, and the electron might be captured by the metal surfaces. Project supported by the National Natural Science Foundation of China (Grant No. 10774093) and the Natural Science Foundation of Shandong Province (Grant No. ZR2009FZ006).

Dynamic Data-Driven Reduced-Order Models of Macroscale Quantities for the Prediction of Equilibrium System State for Multiphase Porous Medium Systems

NASA Astrophysics Data System (ADS)

Talbot, C.; McClure, J. E.; Armstrong, R. T.; Mostaghimi, P.; Hu, Y.; Miller, C. T.

2017-12-01

Microscale simulation of multiphase flow in realistic, highly-resolved porous medium systems of a sufficient size to support macroscale evaluation is computationally demanding. Such approaches can, however, reveal the dynamic, steady, and equilibrium states of a system. We evaluate methods to utilize dynamic data to reduce the cost associated with modeling a steady or equilibrium state. We construct data-driven models using extensions to dynamic mode decomposition (DMD) and its connections to Koopman Operator Theory. DMD and its variants comprise a class of equation-free methods for dimensionality reduction of time-dependent nonlinear dynamical systems. DMD furnishes an explicit reduced representation of system states in terms of spatiotemporally varying modes with time-dependent oscillation frequencies and amplitudes. We use DMD to predict the steady and equilibrium macroscale state of a realistic two-fluid porous medium system imaged using micro-computed tomography (µCT) and simulated using the lattice Boltzmann method (LBM). We apply Koopman DMD to direct numerical simulation data resulting from simulations of multiphase fluid flow through a 1440x1440x4320 section of a full 1600x1600x5280 realization of imaged sandstone. We determine a representative set of system observables via dimensionality reduction techniques including linear and kernel principal component analysis. We demonstrate how this subset of macroscale quantities furnishes a representation of the time-evolution of the system in terms of dynamic modes, and discuss the selection of a subset of DMD modes yielding the optimal reduced model, as well as the time-dependence of the error in the predicted equilibrium value of each macroscale quantity. Finally, we describe how the above procedure, modified to incorporate methods from compressed sensing and random projection techniques, may be used in an online fashion to facilitate adaptive time-stepping and parsimonious storage of system states over time.

Composition-dependent metallic glass alloys correlate atomic mobility with collective glass surface dynamics.

PubMed

Nguyen, Duc; Zhu, Zhi-Guang; Pringle, Brian; Lyding, Joseph; Wang, Wei-Hua; Gruebele, Martin

2016-06-22

Glassy metallic alloys are richly tunable model systems for surface glassy dynamics. Here we study the correlation between atomic mobility, and the hopping rate of surface regions (clusters) that rearrange collectively on a minute to hour time scale. Increasing the proportion of low-mobility copper atoms in La-Ni-Al-Cu alloys reduces the cluster hopping rate, thus establishing a microscopic connection between atomic mobility and dynamics of collective rearrangements at a glass surface made from freshly exposed bulk glass. One composition, La60Ni15Al15Cu10, has a surface resistant to re-crystallization after three heating cycles. When thermally cycled, surface clusters grow in size from about 5 glass-forming units to about 8 glass-forming units, evidence of surface aging without crystal formation, although its bulk clearly forms larger crystalline domains. Such kinetically stable glass surfaces may be of use in applications where glassy coatings stable against heating are needed.

Adsorption of non-ionic ABC triblock copolymers: Surface modification of TiO2 suspensions in aqueous and non-aqueous medium

NASA Astrophysics Data System (ADS)

Lerch, Jean-Philippe; Atanase, Leonard Ionut; Riess, Gérard

2017-10-01

A series of non-ionic ABC triblock copolymers, such as poly(butadiene)-b-poly(2-vinylpyrridine)-b-poly(ethylene oxide) (PB-P2VP-PEO) were synthesized by sequential anionic polymerizations. For these copolymers comprising an organo-soluble PB and a water-soluble PEO block, their P2VP middle block has been selected for its anchoring capacity on solid surfaces. The adsorption isotherms on TiO2 were obtained in heptane and in aqueous medium, as selective solvents. In both of these cases, the P2VP middle block provides the surface anchoring, whereas PB and PEO sequences are acting as stabilizing moieties in heptane and water respectively. By extension to ABC triblock copolymers of the scaling theory developed for diblock copolymers, the density of adsorbed chains could be correlated with the molecular characteristics of the PB-P2VP-PEO triblock copolymers. From a practical point a view, it could be demonstrated that these copolymers are efficient dispersing agents for the TiO2 pigments in both aqueous and non-aqueous medium.

Efficient analysis of mode profiles in elliptical microcavity using dynamic-thermal electron-quantum medium FDTD method.

PubMed

Khoo, E H; Ahmed, I; Goh, R S M; Lee, K H; Hung, T G G; Li, E P

2013-03-11

The dynamic-thermal electron-quantum medium finite-difference time-domain (DTEQM-FDTD) method is used for efficient analysis of mode profile in elliptical microcavity. The resonance peak of the elliptical microcavity is studied by varying the length ratio. It is observed that at some length ratios, cavity mode is excited instead of whispering gallery mode. This depicts that mode profiles are length ratio dependent. Through the implementation of the DTEQM-FDTD on graphic processing unit (GPU), the simulation time is reduced by 300 times as compared to the CPU. This leads to an efficient optimization approach to design microcavity lasers for wide range of applications in photonic integrated circuits.

The relationship between the surface composition and electrical properties of corrosion films formed on carbon steel in alkaline sour medium: an XPS and EIS study.

PubMed

Galicia, Policarpo; Batina, Nikola; González, Ignacio

2006-07-27

This work studies the evolution of 1018 carbon steel surfaces during 3-15 day immersion in alkaline sour medium 0.1 M (NH4)2S and 10 ppm CN(-) as (NaCN). During this period of time, surfaces were jointly characterized by electrochemical techniques in situ (electrochemical impedance spectroscopy, EIS) and spectroscopic techniques ex situ (X-ray photoelectron spectroscopy, XPS). The results obtained by these techniques allowed for a description of electrical and chemical properties of the films of corrosion products formed at the 1018 steel surface. There is an interconversion cycle of chemical species that form films of corrosion products whose conversion reactions favor two different types of diffusions inside the films: a chemical diffusion of iron cations and a typical diffusion of atomic hydrogen. These phenomena jointly control the passivity of the interface attacked by the corrosive medium.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

PubMed

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

Urban Land: Study of Surface Run-off Composition and Its Dynamics

NASA Astrophysics Data System (ADS)

Palagin, E. D.; Gridneva, M. A.; Bykova, P. G.

2017-11-01

The qualitative composition of urban land surface run-off is liable to significant variations. To study surface run-off dynamics, to examine its behaviour and to discover reasons of these variations, it is relevant to use the mathematical apparatus technique of time series analysis. A seasonal decomposition procedure was applied to a temporary series of monthly dynamics with the annual frequency of seasonal variations in connection with a multiplicative model. The results of the quantitative chemical analysis of surface wastewater of the 22nd Partsjezd outlet in Samara for the period of 2004-2016 were used as basic data. As a result of the analysis, a seasonal pattern of variations in the composition of surface run-off in Samara was identified. Seasonal indices upon 15 waste-water quality indicators were defined. BOD (full), suspended materials, mineralization, chlorides, sulphates, ammonium-ion, nitrite-anion, nitrate-anion, phosphates (phosphorus), iron general, copper, zinc, aluminium, petroleum products, synthetic surfactants (anion-active). Based on the seasonal decomposition of the time series data, the contribution of trends, seasonal and accidental components of the variability of the surface run-off indicators was estimated.

Incorporating human-water dynamics in a hyper-resolution land surface model

NASA Astrophysics Data System (ADS)

Vergopolan, N.; Chaney, N.; Wanders, N.; Sheffield, J.; Wood, E. F.

2017-12-01

The increasing demand for water, energy, and food is leading to unsustainable groundwater and surface water exploitation. As a result, the human interactions with the environment, through alteration of land and water resources dynamics, need to be reflected in hydrologic and land surface models (LSMs). Advancements in representing human-water dynamics still leave challenges related to the lack of water use data, water allocation algorithms, and modeling scales. This leads to an over-simplistic representation of human water use in large-scale models; this is in turn leads to an inability to capture extreme events signatures and to provide reliable information at stakeholder-level spatial scales. The emergence of hyper-resolution models allows one to address these challenges by simulating the hydrological processes and interactions with the human impacts at field scales. We integrated human-water dynamics into HydroBlocks - a hyper-resolution, field-scale resolving LSM. HydroBlocks explicitly solves the field-scale spatial heterogeneity of land surface processes through interacting hydrologic response units (HRUs); and its HRU-based model parallelization allows computationally efficient long-term simulations as well as ensemble predictions. The implemented human-water dynamics include groundwater and surface water abstraction to meet agricultural, domestic and industrial water demands. Furthermore, a supply-demand water allocation scheme based on relative costs helps to determine sectoral water use requirements and tradeoffs. A set of HydroBlocks simulations over the Midwest United States (daily, at 30-m spatial resolution for 30 years) are used to quantify the irrigation impacts on water availability. The model captures large reductions in total soil moisture and water table levels, as well as spatiotemporal changes in evapotranspiration and runoff peaks, with their intensity related to the adopted water management strategy. By incorporating human-water dynamics in

Apparent Activation Energies Associated with Protein Dynamics on Hydrophobic and Hydrophilic Surfaces

PubMed Central

Langdon, Blake B.; Kastantin, Mark; Schwartz, Daniel K.

2012-01-01

With the use of single-molecule total internal reflection fluorescence microscopy (TIRFM), the dynamics of bovine serum albumin (BSA) and human fibrinogen (Fg) at low concentrations were observed at the solid-aqueous interface as a function of temperature on hydrophobic trimethylsilane (TMS) and hydrophilic fused silica (FS) surfaces. Multiple dynamic modes and populations were observed and characterized by their surface residence times and squared-displacement distributions (surface diffusion). Characteristic desorption and diffusion rates for each population/mode were generally found to increase with temperature, and apparent activation energies were determined from Arrhenius analyses. The apparent activation energies of desorption and diffusion were typically higher on FS than on TMS surfaces, suggesting that protein desorption and mobility were hindered on hydrophilic surfaces due to favorable protein-surface and solvent-surface interactions. The diffusion of BSA on TMS appeared to be activationless for several populations, whereas diffusion on FS always exhibited an apparent activation energy. All activation energies were small in absolute terms (generally only a few kBT), suggesting that most adsorbed protein molecules are weakly bound and move and desorb readily under ambient conditions. PMID:22713578

Mucin Production Dynamics at the Surface of Corneal Epithelial Cells

NASA Astrophysics Data System (ADS)

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

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

Dynamic Strain Aging Phenomena and Tensile Response of Medium-Mn TRIP Steel

NASA Astrophysics Data System (ADS)

Field, Daniel M.; Van Aken, David C.

2018-04-01

Dynamic strain aging (DSA) and rapid work hardening are typical behaviors observed in medium-Mn transformation-induced plasticity (TRIP) steel. Three alloys with manganese ranging from 10.2 to 13.8 wt pct with calculated room temperature stacking fault energies varying from - 2.1 to 0.7 mJ/m2 were investigated. Significant serrations were observed in the stress-strain behavior for two of the steels and the addition of 4.6 wt pct chromium was effective in significantly reducing the occurrence of DSA. Addition of chromium to the alloy reduced DSA by precipitation of M23(C,N)6 during batch annealing at 873 K (600 °C) for 20 hours. Three distinct DSA mechanisms were identified: one related to manganese ordering in stacking faults associated with ɛ-martensite and austenite interface, with activation energies for the onset and termination of DSA being 145 and 277 kJ/mol. A second mechanism was associated with carbon diffusion in γ-austenite where Mn-C bonding added to the total binding energy, and activation energies of 88 and 155 kJ/mol were measured for the onset and termination of DSA. A third mechanism was attributed to dislocation pinning and unpinning by nitrogen in α-ferrite with activation energies of 64 and 123 kJ/mol being identified. Tensile behaviors of the three medium manganese steels were studied in both the hot band and batch annealed after cold working conditions. Ultimate tensile strengths ranged from 1310 to 1404 MPa with total elongation of 24.1 to 34.1 pct. X-ray diffraction (XRD) was used to determine the transformation response of the steels using interrupted tensile tests at room temperature. All three of the processed steels showed evidence of two-stage TRIP where γ-austenite first transformed to ɛ-martensite, and subsequently transformed to α-martensite.

Durable low surface-energy surfaces

NASA Technical Reports Server (NTRS)

Willis, Paul B. (Inventor); McElroy, Paul M. (Inventor); Hickey, Gregory H. (Inventor)

1993-01-01

A formulation for forming a low surface-energy surface on a substrate having (i) a fluoroalkyl silane having a low surface energy part, (ii) a liquid crystal silane operable for enhancing the orientation of the molecules of the fluoroalkyl silane and for crosslinking with the fluoroalkyl silane, and, (iii) a transport medium for applying the fluoroalkyl silane and the liquid crystal silane to the surface of a substrate. In one embodiment the formulation can includes a crosslinking agent for crosslinking the fluoroalkyl silane. In another embodiment the formulation has a condensation catalyst for enhancing chemical bonding of the fluoroalkyl silane to the substrate. The transport medium can be an alcohol such as methanol or ethanol.

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.

Are the fluctuations in dynamic anterior surface aberrations of the human eye chaotic?

PubMed

Jayakumar, Varadharajan; Thapa, Damber; Hutchings, Natalie; Lakshminarayanan, Vasudevan

2013-12-15

The purpose of the study is to measure chaos in dynamic anterior surface aberrations and examine how it varies between the eyes of an individual. Noninvasive tear breakup time and dynamic corneal surface aberrations were measured for two open-eye intervals of 15 s. The maximal Lyapunov exponent (MLE) was calculated to test the nature of the fluctuations of the dynamic anterior surface aberrations. The average MLE for total higher-order aberration (HOA) was found to be small (+0.0102±0.0072) μm/s. No significant difference in MLE was found between the eyes for HOA (t-test; p=0.131). Data analysis was carried out for individual Zernike coefficients, including vertical prism as it gives a direct measure of the thickness of the tear film over time. The results show that the amount of chaos was small for each Zernike coefficient and not significantly correlated between the eyes.

Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C70-Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium.

PubMed

Ortiz, Michael; Cho, Sung; Niklas, Jens; Kim, Seonah; Poluektov, Oleg G; Zhang, Wei; Rumbles, Garry; Park, Jaehong

2017-03-29

Ultrafast photoinduced electron transfer (PIET) dynamics of a C 70 -encapsulated bisporphyrin covalent organic polyhedron hybrid (C 70 @COP-5) is studied in a nonpolar toluene medium with fluorescence and transient absorption spectroscopies. This structurally rigid donor (D)-acceptor (A) molecular hybrid offers a new platform featuring conformationally predetermined cofacial D-A orientation with a fixed edge-to-edge separation, R EE (2.8 Å), without the aid of covalent bonds. Sub-picosecond PIET (τ ET ≤ 0.4 ps) and very slow charge recombination (τ CR ≈ 600 ps) dynamics are observed. The origin of these dynamics is discussed in terms of enhanced D-A coupling (V = 675 cm -1 ) and extremely small reorganization energy (λ ≈ 0.18 eV), induced by the intrinsic structural rigidity of the C 70 @COP-5 complex.

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

Synthesis of Formamide and Related Organic Species in the Interstellar Medium via Chemical Dynamics Simulations

NASA Astrophysics Data System (ADS)

Spezia, Riccardo; Jeanvoine, Yannick; Hase, William L.; Song, Kihyung; Largo, Antonio

2016-08-01

We show, by means of direct dynamics simulations, how it is possible to define possible reactants and mechanisms leading to the formation of formamide in the interstellar medium. In particular, different ion-molecule reactions in the gas phase were considered: NH3OH+, NH2OH{}2+, H2COH+, and NH4 + for the ions and NH2OH, H2CO, and NH3 for the partner neutrals. These calculations were combined with high level ab initio calculations to investigate possible further evolution of the products observed. In particular, for formamide, we propose that the NH2OH{}2+ + H2CO reaction can produce an isomer, NH2OCH{}2+, that, after dissociative recombination, can produce neutral formamide, which was observed in space. The direct dynamics do not pre-impose any reaction pathways and in other reactions, we did not observe the formation of formamide or any possible precursor. On the other hand, we obtained other interesting reactions, like the formation of NH2CH{}2+. Finally, some radiative association processes are proposed. All of the results obtained are discussed in light of the species observed in radioastronomy.

Effect of Stratification on Surface Properties of Corneal Epithelial Cells

PubMed Central

Yáñez-Soto, Bernardo; Leonard, Brian C.; Raghunathan, Vijay Krishna; Abbott, Nicholas L.; Murphy, Christopher J.

2015-01-01

Purpose The purpose of this study was to determine the influence of mucin expression in an immortalized human corneal epithelial cell line (hTCEpi) on the surface properties of cells, such as wettability, contact angle, and surface heterogeneity. Methods hTCEpi cells were cultured to confluence in serum-free medium. The medium was then replaced by stratification medium to induce mucin biosynthesis. The mucin expression profile was analyzed using quantitative PCR and Western blotting. Contact angles were measured using a two-immiscible liquid method, and contact angle hysteresis was evaluated by tilting the apparatus and recording advancing and receding contact angles. The spatial distribution of mucins was evaluated with fluorescently labeled lectin. Results hTCEpi cells expressed the three main ocular mucins (MUC1, MUC4, and MUC16) with a maximum between days 1 and 3 of the stratification process. Upon stratification, cells caused a very significant increase in contact angle hysteresis, suggesting the development of spatially discrete and heterogeneously distributed surface features, defined by topography and/or chemical functionality. Although atomic force microscopy measurements showed no formation of appreciable topographic features on the surface of the cells, we observed a significant increase in surface chemical heterogeneity. Conclusions The surface chemical heterogeneity of the corneal epithelium may influence the dynamic behavior of tear film by “pinning” the contact line between the cellular surface and aqueous tear film. Engineering the surface properties of corneal epithelium could potentially lead to novel treatments in dry eye disease. PMID:26747762

Recycling of drinking water treatment residue as an additional medium in columns for effective P removal from eutrophic surface water.

PubMed

Wang, Changhui; Wu, Yu; Bai, Leilei; Zhao, Yaqian; Yan, Zaisheng; Jiang, Helong; Liu, Xin

2018-07-01

This study assesses the feasibility of recycling drinking water treatment residue (DWTR) to treat eutrophic surface water in a one-year continuous flow column test. Heat-treated DWTR was used as an additional medium (2%-4%) in columns in case excessive organic matter and N were released from the DWTR to surface water. The results indicated that with minimal undesirable effects on other water properties, DWTR addition substantially enhanced P removal, rendering P concentrations in treated water oligotrophic and treated water unsuitable for Microcystis aeruginosa breeding. Long-term stable P removal by DWTR-column treatment was mainly attributed to the relatively low P levels in raw water (<0.108 mg L -1 ) and high P adsorption capability of DWTR, as confirmed by increases in amorphous Al/Fe in DWTR after the tests and low adsorption of P in the mobile forms. The major components of DWTR showed minimal changes, and potential metal pollution from DWTR was not a factor to consider during recycling. DWTR also enriched functional bacterial genera that benefitted biogeochemical cycles and multiple pollution control (e.g., Dechloromonas, Geobacter, Leucobacter, Nitrospira, Rhodoplanes, and Sulfuritalea); an apparent decrease in Mycobacterium with potential pathogenicity was observed in DWTR-columns. Regardless, limited denitrification of DWTR-columns was observed as a result of low bioavailability of C in surface water. This finding indicates that DWTR can be used with other methods to ensure denitrification for enhanced treatment effects. Overall, the use of DWTR as an additional medium in column systems can potentially treat eutrophic surface water. Copyright © 2018 Elsevier Ltd. All rights reserved.

Dynamics of tokamak plasma surface current in 3D ideal MHD model

NASA Astrophysics Data System (ADS)

Galkin, Sergei A.; Svidzinski, V. A.; Zakharov, L. E.

2013-10-01

Interest in the surface current which can arise on perturbed sharp plasma vacuum interface in tokamaks was recently generated by a few papers (see and references therein). In dangerous disruption events with plasma-touching-wall scenarios, the surface current can be shared with the wall leading to the strong, damaging forces acting on the wall A relatively simple analytic definition of δ-function surface current proportional to a jump of tangential component of magnetic field nevertheless leads to a complex computational problem on the moving plasma-vacuum interface, requiring the incorporation of non-linear 3D plasma dynamics even in one-fluid ideal MHD. The Disruption Simulation Code (DSC), which had recently been developed in a fully 3D toroidal geometry with adaptation to the moving plasma boundary, is an appropriate tool for accurate self-consistent δfunction surface current calculation. Progress on the DSC-3D development will be presented. Self-consistent surface current calculation under non-linear dynamics of low m kink mode and VDE will be discussed. Work is supported by the US DOE SBIR grant #DE-SC0004487.

Dynamical analysis of surface-insulated planar wire array Z-pinches

NASA Astrophysics Data System (ADS)

Li, Yang; Sheng, Liang; Hei, Dongwei; Li, Xingwen; Zhang, Jinhai; Li, Mo; Qiu, Aici

2018-05-01

The ablation and implosion dynamics of planar wire array Z-pinches with and without surface insulation are compared and discussed in this paper. This paper first presents a phenomenological model named the ablation and cascade snowplow implosion (ACSI) model, which accounts for the ablation and implosion phases of a planar wire array Z-pinch in a single simulation. The comparison between experimental data and simulation results shows that the ACSI model could give a fairly good description about the dynamical characteristics of planar wire array Z-pinches. Surface insulation introduces notable differences in the ablation phase of planar wire array Z-pinches. The ablation phase is divided into two stages: insulation layer ablation and tungsten wire ablation. The two-stage ablation process of insulated wires is simulated in the ACSI model by updating the formulas describing the ablation process.

Method of dispensing droplets to penetration-resistive mediums. [Patent application

DOEpatents

Fowler, V.L.; Ryon, A.D.; Haas, P.A.

1982-06-10

Uniform, monosized microspheroids are produced in a gelation medium characterized by a high resistance to surface penetration by reducing the effect of impact on entry of the droplets into the medium by contacting the droplet with a stream of medium and by introducing the resulting stream into a gelation column.

Percolation Laws of a Fractal Fracture-Pore Double Medium

NASA Astrophysics Data System (ADS)

Zhao, Yangsheng; Feng, Zengchao; Lv, Zhaoxing; Zhao, Dong; Liang, Weiguo

2016-12-01

The fracture-pore double porosity medium is one of the most common media in nature, for example, rock mass in strata. Fracture has a more significant effect on fluid flow than a pore in a fracture-pore double porosity medium. Hence, the fracture effect on percolation should be considered when studying the percolation phenomenon in porous media. In this paper, based on the fractal distribution law, three-dimensional (3D) fracture surfaces, and two-dimensional (2D) fracture traces in rock mass, the locations of fracture surfaces or traces are determined using a random function of uniform distribution. Pores are superimposed to build a fractal fracture-pore double medium. Numerical experiments were performed to show percolation phenomena in the fracture-pore double medium. The percolation threshold can be determined from three independent variables (porosity n, fracture fractal dimension D, and initial value of fracture number N0). Once any two are determined, the percolation probability exists at a critical point with the remaining parameter changing. When the initial value of the fracture number is greater than zero, the percolation threshold in the fracture-pore medium is much smaller than that in a pore medium. When the fracture number equals zero, the fracture-pore medium degenerates to a pore medium, and both percolation thresholds are the same.

Altered Calcium Dynamics in Cardiac Cells Grown on Silane-Modified Surfaces

PubMed Central

Ravenscroft-Chang, Melissa S.; Stohlman, Jayna; Molnar, Peter; Natarajan, Anupama; Canavan, Heather E.; Teliska, Maggie; Stancescu, Maria; Krauthamer, Victor; Hickman, J.J.

2013-01-01

Chemically defined surfaces were created using self-assembled monolayers (SAMs) of hydrophobic and hydrophilic silanes as models for implant coatings, and the morphology and physiology of cardiac myocytes plated on these surfaces were studied in vitro. We focused on changes in intracellular Ca2+ because of its essential role in regulating heart cell function. The SAM-modified coverslips were analyzed using X-ray Photoelectron Spectroscopy to verify composition. The morphology and physiology of the cardiac cells were examined using fluorescence microscopy and intracellular Ca2+ imaging. The imaging experiments used the fluorescent ratiometric dye fura-2, AM to establish both the resting Ca2+ concentration and the dynamic responses to electrical stimulation. A significant difference in excitation-induced Ca2+ changes on the different silanated surfaces was observed. However, no significant change was noted based on the morphological analysis. This result implies a difference in internal Ca2+ dynamics, and thus cardiac function, occurs when the composition of the surface is different, and this effect is independent of cellular morphology. This finding has implications for histological examination of tissues surrounding implants, the choice of materials that could be beneficial as implant coatings and understanding of cell-surface interactions in cardiac systems. PMID:19828193

Anomalous Dynamics of a Lipid Recognition Protein on a Membrane Surface

PubMed Central

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

2015-01-01

Pleckstrin homology (PH) domains are lipid-binding modules present in peripheral membrane proteins which interact with phosphatidyl-inositol phosphates (PIPs) in cell membranes. We use multiscale molecular dynamics simulations to characterize the localization and anomalous dynamics of the DAPP1 PH domain on the surface of a PIP-containing lipid bilayer. Both translational and rotational diffusion of the PH domain on the lipid membrane surface exhibit transient subdiffusion, with an exponent α ≈ 0.5 for times of less than 10 ns. In addition to a PIP3 molecule at the canonical binding site of the PH domain, we observe additional PIP molecules in contact with the protein. Fluctuations in the number of PIPs associated with the PH domain exhibit 1/f noise. We suggest that the anomalous diffusion and long-term correlated interaction of the PH domain with the membrane may contribute to an enhanced probability of encounter with target complexes on cell membrane surfaces. PMID:26657413

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.

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.

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

Insights into H2 formation in space from ab initio molecular dynamics

PubMed Central

Casolo, Simone; Tantardini, Gian Franco; Martinazzo, Rocco

2013-01-01

Hydrogen formation is a key process for the physics and the chemistry of interstellar clouds. Molecular hydrogen is believed to form on the carbonaceous surface of dust grains, and several mechanisms have been invoked to explain its abundance in different regions of space, from cold interstellar clouds to warm photon-dominated regions. Here, we investigate direct (Eley–Rideal) recombination including lattice dynamics, surface corrugation, and competing H-dimers formation by means of ab initio molecular dynamics. We find that Eley–Rideal reaction dominates at energies relevant for the interstellar medium and alone may explain observations if the possibility of facile sticking at special sites (edges, point defects, etc.) on the surface of the dust grains is taken into account. PMID:23572584

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

Impact of dynamic vegetation phenology on the simulated pan-Arctic land surface state

NASA Astrophysics Data System (ADS)

Teufel, Bernardo; Sushama, Laxmi; Arora, Vivek K.; Verseghy, Diana

2018-03-01

The pan-Arctic land surface is undergoing rapid changes in a warming climate, with near-surface permafrost projected to degrade significantly during the twenty-first century. Vegetation-related feedbacks have the potential to influence the rate of degradation of permafrost. In this study, the impact of dynamic phenology on the pan-Arctic land surface state, particularly near-surface permafrost, for the 1961-2100 period, is assessed by comparing two simulations of the Canadian Land Surface Scheme (CLASS)—one with dynamic phenology, modelled using the Canadian Terrestrial Ecosystem Model (CTEM), and the other with prescribed phenology. These simulations are forced by atmospheric data from a transient climate change simulation of the 5th generation Canadian Regional Climate Model (CRCM5) for the Representative Concentration Pathway 8.5 (RCP8.5). Comparison of the CLASS coupled to CTEM simulation to available observational estimates of plant area index, spatial distribution of permafrost and active layer thickness suggests that the model captures reasonably well the overall distribution of vegetation and permafrost. It is shown that the most important impact of dynamic phenology on the land surface occurs through albedo and it is demonstrated for the first time that vegetation control on albedo during late spring and early summer has the highest potential to impact the degradation of permafrost. While both simulations show extensive near-surface permafrost degradation by the end of the twenty-first century, the strong projected response of vegetation to climate warming and increasing CO2 concentrations in the coupled simulation results in accelerated permafrost degradation in the northernmost continuous permafrost regions.

Nanopatterning dynamics on Si(100) during oblique 40-keV Ar+ erosion with metal codeposition: Morphological and compositional correlation

NASA Astrophysics Data System (ADS)

Redondo-Cubero, A.; Gago, R.; Palomares, F. J.; Mücklich, A.; Vinnichenko, M.; Vázquez, L.

2012-08-01

The formation and dynamics of nanopatterns produced on Si(100) surfaces by 40-keV Ar+ oblique (α = 60°) bombardment with concurrent Fe codeposition have been studied. Morphological and chemical analysis has been performed by ex situ atomic force microscopy, Rutherford backscattering spectrometry, x-ray photoelectron spectroscopy, and scanning and transmission electron microscopies. During irradiation, Fe atoms incorporated into the target surface react with Si to form silicides, a process enhanced at this medium-ion energy range. The silicides segregate at the nanoscale from the early irradiation stages. As the irradiation proceeds, a ripple pattern is formed without any correlation with silicide segregation. From the comparison with the pattern dynamics reported previously for metal-free conditions, it is demonstrated that the metal incorporation alters both the pattern dynamics and the morphology. Although the pattern formation and dynamics are delayed for decreasing metal content, once ripples emerge, the same qualitative pattern of morphological evolution is observed for different metal content, resulting in an asymptotic saw-tooth-like facetted surface pattern. Despite the medium ion energy employed, the nanopatterning process with concurrent Fe deposition can be explained by those mechanisms proposed for low-ion energy irradiations such as shadowing, height fluctuations, silicide formation and segregation, ensuing composition dependent sputter rate, and ion sculpting effects. In particular, the interplay between the ion irradiation and metal flux geometries, differences in sputtering rates, and the surface pattern morphology produces a dynamic compositional patterning correlated with the evolving morphological one.

Imbibition dynamics on surfaces of legs of a small animal and on artificial surfaces mimicking them

NASA Astrophysics Data System (ADS)

Tani, Marie; Ishii, Daisuke; Ito, Shuto; Hariyama, Takahiko; Shimomura, Masatsugu; Okumura, Ko

2014-03-01

Recently, imbibition of textured surfaces covered with homogeneous micro-pillar arrays has been actively studied partly because of the potential for transport of a small amount of liquids. In most cases, the dynamics is described by the Washburn law, in which the imbibition distance scales with the square root of elapsed time, while a different scaling law has been recently found. In this study, we studied imbibition on legs of a small animal that absorbs water via its legs to find yet another scaling law. Furthermore, imbibition of artificial surfaces mimicking the leg surface was found to be described well by a composite theory.

Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C 70 -Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium

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

Ortiz, Michael; Cho, Sung; Niklas, Jens

Ultrafast photoinduced electron transfer (PIET) dynamics of a C 70-encapsulated bisporphyrin covalent organic polyhedron hybrid (C 70@COP-5) is studied in a nonpolar toluene medium with fluorescence and transient absorption spectroscopies. This structurally rigid donor (D)-acceptor (A) molecular hybrid offers a new platform featuring conformationally predetermined cofacial D-A orientation with a fixed edge-to-edge separation, R EE (2.8 Å), without the aid of covalent bonds. Sub-picosecond PIET (T ET ≤ 0.4 ps) and very slow charge recombination (T CR ≈ 600 ps) dynamics are observed. The origin of these dynamics is discussed in terms of enhanced D-A coupling (V = 675 cmmore » -1) and extremely small reorganization energy (λ ≈ 0.18 eV), induced by the intrinsic structural rigidity of the C 70@COP-5 complex.« less

Through-Space Ultrafast Photoinduced Electron Transfer Dynamics of a C 70 -Encapsulated Bisporphyrin Covalent Organic Polyhedron in a Low-Dielectric Medium

DOE PAGES

Ortiz, Michael; Cho, Sung; Niklas, Jens; ...

2017-03-13

Ultrafast photoinduced electron transfer (PIET) dynamics of a C 70-encapsulated bisporphyrin covalent organic polyhedron hybrid (C 70@COP-5) is studied in a nonpolar toluene medium with fluorescence and transient absorption spectroscopies. This structurally rigid donor (D)-acceptor (A) molecular hybrid offers a new platform featuring conformationally predetermined cofacial D-A orientation with a fixed edge-to-edge separation, R EE (2.8 Å), without the aid of covalent bonds. Sub-picosecond PIET (T ET ≤ 0.4 ps) and very slow charge recombination (T CR ≈ 600 ps) dynamics are observed. The origin of these dynamics is discussed in terms of enhanced D-A coupling (V = 675 cmmore » -1) and extremely small reorganization energy (λ ≈ 0.18 eV), induced by the intrinsic structural rigidity of the C 70@COP-5 complex.« less

Coffee-stain growth dynamics on dry and wet surfaces

NASA Astrophysics Data System (ADS)

Boulogne, François; Ingremeau, François; Stone, Howard A.

2017-02-01

The drying of a drop containing particles often results in the accumulation of the particles at the contact line. In this work, we investigate the drying of an aqueous colloidal drop surrounded by a hydrogel that is also evaporating. We combine theoretical and experimental studies to understand how the surrounding vapor concentration affects the particle deposit during the constant radius evaporation mode. In addition to the common case of evaporation on an otherwise dry surface, we show that in a configuration where liquid is evaporating from a flat surface around the drop, the singularity of the evaporative flux at the contact line is suppressed and the drop evaporation is homogeneous. For both conditions, we derive the velocity field and we establish the temporal evolution of the number of particles accumulated at the contact line. We predict the growth dynamics of the stain and the drying timescales. Thus, dry and wet conditions are compared with experimental results and we highlight that only the dynamics is modified by the evaporation conditions, not the final accumulation at the contact line.

Dynamic Leidenfrost temperature on micro-textured surfaces: Acoustic wave absorption into thin vapor layer

NASA Astrophysics Data System (ADS)

Jerng, Dong Wook; Kim, Dong Eok

2018-01-01

The dynamic Leidenfrost phenomenon is governed by three types of pressure potentials induced via vapor hydrodynamics, liquid dynamic pressure, and the water hammer effect resulting from the generation of acoustic waves at the liquid-vapor interface. The prediction of the Leidenfrost temperature for a dynamic droplet needs quantitative evaluation and definition for each of the pressure fields. In particular, the textures on a heated surface can significantly affect the vapor hydrodynamics and the water hammer pressure. We present a quantitative model for evaluating the water hammer pressure on micro-textured surfaces taking into account the absorption of acoustic waves into the thin vapor layer. The model demonstrates that the strength of the acoustic flow into the liquid droplet, which directly contributes to the water hammer pressure, depends on the magnitude of the acoustic resistance (impedance) in the droplet and the vapor region. In consequence, the micro-textures of the surface and the increased spacing between them reduce the water hammer coefficient ( kh ) defined as the ratio of the acoustic flow into the droplet to total generated flow. Aided by numerical calculations that solve the laminar Navier-Stokes equation for the vapor flow, we also predict the dynamic Leidenfrost temperature on a micro-textured surface with reliable accuracy consistent with the experimental data.

Ocean current surface measurement using dynamic elevations obtained by the GEOS-3 radar altimeter

NASA Technical Reports Server (NTRS)

Leitao, C. D.; Huang, N. E.; Parra, C. G.

1977-01-01

Remote Sensing of the ocean surface from the GEOS-3 satellite using radar altimeter data has confirmed that the altimeter can detect the dynamic ocean topographic elevations relative to an equipotential surface, thus resulting in a reliable direct measurement of the ocean surface. Maps of the ocean dynamic topography calculated over a one month period and with 20 cm contour interval are prepared for the last half of 1975. The Gulf Stream is observed by the rapid slope change shown by the crowding of contours. Cold eddies associated with the current are seen as roughly circular depressions.

The global distribution and dynamics of surface soil moisture

NASA Astrophysics Data System (ADS)

McColl, Kaighin A.; Alemohammad, Seyed Hamed; Akbar, Ruzbeh; Konings, Alexandra G.; Yueh, Simon; Entekhabi, Dara

2017-01-01

Surface soil moisture has a direct impact on food security, human health and ecosystem function. It also plays a key role in the climate system, and the development and persistence of extreme weather events such as droughts, floods and heatwaves. However, sparse and uneven observations have made it difficult to quantify the global distribution and dynamics of surface soil moisture. Here we introduce a metric of soil moisture memory and use a full year of global observations from NASA's Soil Moisture Active Passive mission to show that surface soil moisture--a storage believed to make up less than 0.001% of the global freshwater budget by volume, and equivalent to an, on average, 8-mm thin layer of water covering all land surfaces--plays a significant role in the water cycle. Specifically, we find that surface soil moisture retains a median 14% of precipitation falling on land after three days. Furthermore, the retained fraction of the surface soil moisture storage after three days is highest over arid regions, and in regions where drainage to groundwater storage is lowest. We conclude that lower groundwater storage in these regions is due not only to lower precipitation, but also to the complex partitioning of the water cycle by the surface soil moisture storage layer at the land surface.

Attachment dynamics of Photosystem I on nano-tailored surfaces for photovoltaic applications

NASA Astrophysics Data System (ADS)

Mukherjee, Dibyendu; Bruce, Barry D.; Khomami, Bamin

2010-03-01

Photosystem I (PSI), a biological photodiode, is a supra-molecular protein complex that charge separates upon exposure to light. Effective use of photo-electrochemical activities of PSI for hybrid photovoltaic (PV) device fabrications requires optimal encapsulation of these proteins onto organic/ inorganic substrates. Our results indicate that various experimental parameters alter the surface attachment dynamics of PSI deposited from colloidal aqueous buffer suspensions onto OH-terminated alkanethiolate/Au SAM substrates, thereby resulting in complex structural arrangements which affect the electron transfer and capture pathway of PSI. We present surface topographical, specific adsorption and polarization fluorescence characterizations of PSI/Au SAM substrates to elucidate the protein-surface interaction kinetics as well as the directional attachment dynamics of PSI. Our final goal is to enable site-specific homogeneous attachment of directionally aligned PSI onto chemically tailored nano-patterned substrates.

Molecular dynamics simulations of hydrogen bombardment of tungsten carbide surfaces

NASA Astrophysics Data System (ADS)

Träskelin, P.; Juslin, N.; Erhart, P.; Nordlund, K.

2007-05-01

The interaction between energetic hydrogen and tungsten carbide (WC) is of interest both due to the use of hydrogen-containing plasmas in thin-film manufacturing and due to the presence of WC in the divertor of fusion reactors. In order to study this interaction, we have carried out molecular dynamics simulations of the low-energy bombardment of deuterium impinging onto crystalline as well as amorphous WC surfaces. We find that prolonged bombardment leads to the formation of an amorphous WC surface layer, regardless of the initial structure of the WC sample. Loosely bound hydrocarbons, which can erode by swift chemical sputtering, are formed at the surface. Carbon-terminated surfaces show larger sputtering yields than tungsten-terminated surfaces. In both cumulative and noncumulative simulations, C is seen to sputter preferentially. Implications for mixed material erosion in ITER are discussed.

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

Study of the Effect of Turbulence and Large Obstacles on the Evaporation from Bare Soil Surface through Coupled Free-flow and Porous-medium Flow Model

NASA Astrophysics Data System (ADS)

Gao, B.; Smits, K. M.

2017-12-01

Evaporation is a strongly coupled exchange process of mass, momentum and energy between the atmosphere and the soil. Several mechanisms influence evaporation, such as the atmospheric conditions, the structure of the soil surface, and the physical properties of the soil. Among the previous studies associated with evaporation modeling, most efforts use uncoupled models which simplify the influences of the atmosphere and soil through the use of resistance terms. Those that do consider the coupling between the free flow and porous media flow mainly consider flat terrain with grain-scale roughness. However, larger obstacles, which may form drags or ridges allowing normal convective air flow through the soil, are common in nature and may affect the evaporation significantly. Therefore, the goal of this work is to study the influence of large obstacles such as wavy surfaces on the flow behavior within the soil and exchange processes to the atmosphere under turbulent free-flow conditions. For simplicity, the soil surface with large obstacles are represented by a simple wavy surface. To do this, we modified a previously developed theory for two-phase two-component porous-medium flow, coupling it to single-phase two-component turbulent flow to simulate and analyze the evaporation from wavy soil surfaces. Detailed laboratory scale experiments using a wind tunnel interfaced with a porous media tank were carried out to test the modeling results. The characteristics of turbulent flow across a permeable wavy surface are discussed. Results demonstrate that there is an obvious recirculation zone formed at the surface, which is special because of the accumulation of water vapor and the thicker boundary layer in this area. In addition, the influences of both the free flow and porous medium on the evaporation are also analyzed. The porous medium affects the evaporation through the amount of water it can provide to the soil surface; while the atmosphere influences the evaporation

Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N

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

Zhang, Yi; Nelson, R.; Siddiqui, Elisha

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga 1 - x Mn x N , and find the impurity band is completely localizedmore » for Mn concentrations x < 0.03 , while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ( x ≈ 0.10 ) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.« less

The scaling and dynamics of a projectile obliquely impacting a granular medium.

PubMed

Wang, Dengming; Ye, Xiaoyan; Zheng, Xiaojing

2012-01-01

In this paper, the dynamics of a spherical projectile obliquely impacting into a two-dimensional granular bed is numerically investigated using the discrete element method. The influences of projectile's initial velocities and impacting angles are mainly considered. Numerical results show that the relationship between the final penetration depth and the initial impact velocity is very similar to that in the vertical-impact case. However, the dependence of the stopping time on the impact velocity of the projectile exhibits critical characteristics at different impact angles: the stopping time approximately increases linearly with the impact velocity for small impact angles but decreases in an exponential form for larger impact angles, which demonstrates the existence of two different regimes at low and high impact angles. When the impact angle is regarded as a parametric variable, a phenomenological force model at large impact angles is eventually proposed based on the simulation results, which can accurately describe the nature of the resistance force exerted on the projectile by the granular medium at different impact angels during the whole oblique-impact process. The degenerate model agrees well with the existing experimental results in the vertical-impact cases.

Generalized multiband typical medium dynamical cluster approximation: Application to (Ga,Mn)N

DOE PAGES

Zhang, Yi; Nelson, R.; Siddiqui, Elisha; ...

2016-12-29

We generalize the multiband typical medium dynamical cluster approximation and the formalism introduced by Blackman, Esterling, and Berk so that it can deal with localization in multiband disordered systems with both diagonal and off-diagonal disorder with complicated potentials. We also introduce an ansatz for the momentum-resolved typical density of states that greatly improves the numerical stability of the method while preserving the independence of scattering events at different frequencies. Starting from the first-principles effective Hamiltonian, we apply this method to the diluted magnetic semiconductor Ga 1 - x Mn x N , and find the impurity band is completely localizedmore » for Mn concentrations x < 0.03 , while for 0.03 < x < 0.10 the impurity band has delocalized states but the chemical potential resides at or above the mobility edge. So, the system is always insulating within the experimental compositional limit ( x ≈ 0.10 ) due to Anderson localization. But, for 0.03 < x < 0.10 hole doping could make the system metallic, allowing double-exchange mediated, or enhanced, ferromagnetism. Finally, this developed method is expected to have a large impact on first-principles studies of Anderson localization.« less

The Interstellar Medium in External Galaxies: Summaries of contributed papers

NASA Technical Reports Server (NTRS)

Hollenbach, David J. (Editor); Thronson, Harley A., Jr. (Editor)

1990-01-01

The Second Wyoming Conference entitled, The Interstellar Medium in External Galaxies, was held on July 3 to 7, 1989, to discuss the current understanding of the interstellar medium in external galaxies and to analyze the basic physical processes underlying interstellar phenomena. The papers covered a broad range of research on the gas and dust in external galaxies and focused on such topics as the distribution and morphology of the atomic, molecular, and dust components; the dynamics of the gas and the role of the magnetic field in the dynamics; elemental abundances and gas depletions in the atomic and ionized components; cooling flows; star formation; the correlation of the nonthermal radio continuum with the cool component of the interstellar medium; the origin and effect of hot galactic halos; the absorption line systems seen in distant quasars; and the effect of galactic collisions.

Ultrafast surface carrier dynamics in the topological insulator Bi₂Te₃.

PubMed

Hajlaoui, M; Papalazarou, E; Mauchain, J; Lantz, G; Moisan, N; Boschetto, D; Jiang, Z; Miotkowski, I; Chen, Y P; Taleb-Ibrahimi, A; Perfetti, L; Marsi, M

2012-07-11

We discuss the ultrafast evolution of the surface electronic structure of the topological insulator Bi(2)Te(3) following a femtosecond laser excitation. Using time and angle-resolved photoelectron spectroscopy, we provide a direct real-time visualization of the transient carrier population of both the surface states and the bulk conduction band. We find that the thermalization of the surface states is initially determined by interband scattering from the bulk conduction band, lasting for about 0.5 ps; subsequently, few picoseconds are necessary for the Dirac cone nonequilibrium electrons to recover a Fermi-Dirac distribution, while their relaxation extends over more than 10 ps. The surface sensitivity of our measurements makes it possible to estimate the range of the bulk-surface interband scattering channel, indicating that the process is effective over a distance of 5 nm or less. This establishes a correlation between the nanoscale thickness of the bulk charge reservoir and the evolution of the ultrafast carrier dynamics in the surface Dirac cone.

A Lagrangian cylindrical coordinate system for characterizing dynamic surface geometry of tubular anatomic structures.

PubMed

Lundh, Torbjörn; Suh, Ga-Young; DiGiacomo, Phillip; Cheng, Christopher

2018-03-03

Vascular morphology characterization is useful for disease diagnosis, risk stratification, treatment planning, and prediction of treatment durability. To quantify the dynamic surface geometry of tubular-shaped anatomic structures, we propose a simple, rigorous Lagrangian cylindrical coordinate system to monitor well-defined surface points. Specifically, the proposed system enables quantification of surface curvature and cross-sectional eccentricity. Using idealized software phantom examples, we validate the method's ability to accurately quantify longitudinal and circumferential surface curvature, as well as eccentricity and orientation of eccentricity. We then apply the method to several medical imaging data sets of human vascular structures to exemplify the utility of this coordinate system for analyzing morphology and dynamic geometric changes in blood vessels throughout the body. Graphical abstract Pointwise longitudinal curvature of a thoracic aortic endograft surface for systole and diastole, with their absolute difference.

Time-independent quantum dynamics for diatom-surface scattering

NASA Astrophysics Data System (ADS)

Saalfrank, Peter; Miller, William H.

1993-06-01

Two time-independent quantum reactive scattering methods, namely, the S-matrix Kohn technique to compute the full S-matrix, and the absorbing boundary Green's function method to compute cumulative reaction probabilities, are applied here to the case of diatom-surface scattering. In both cases a discrete variable representation for the operators is used. We test the methods for two- and three-dimensional uncorrugated potential energy surfaces, which have been used earlier by Halstead et al. [J. Chem. Phys. 93, 2359 (1990)] and by Sheng et al. [J. Chem. Phys. 97, 684 (1992)] in studies of H2 dissociating on metal substrates with theoretical techniques different from those applied here. We find overall but not always perfect agreement with these earlier studies. Based on ab initio data and experiment, a new, six-dimensional potential energy surface for the dissociative chemisorption of H2 on Ni(100) is proposed. Two- and three-dimensional cuts through the new potential are performed to illustrate special dynamical aspects of this particular molecule-surface reaction: (i) the role of corrugation effects, (ii) the importance of the ``cartwheel'' rotation of H2, and (iii) the role of the ``helicopter'' degree of freedom for the adsorbing molecule.

Molecular dynamics simulation of shock induced ejection on fused silica surface

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

Su, Rui; Xiang, Meizhen; Jiang, Shengli

2014-05-21

Shock response and surface ejection behaviors of fused silica are studied by using non-equilibrium molecular dynamics combining with the Tersoff potential. First, bulk structure and Hugoniot curves of fused silica are calculated and compared with experimental results. Then, the dynamical process of surface ejection behavior is simulated under different loading velocities ranging from 3.5 to 5.0 km∕s, corresponding to shock wave velocities from 7.1 to 8.8 km∕s. The local atomistic shear strain parameter is used to describe the local plastic deformation under conditions of shock compression or releasing. Our result shows that the shear strain is localized in the bottom area ofmore » groove under the shock compression. Surface ejection is observed when the loading velocity exceeds 4.0 km∕s. Meanwhile, the temperature of the micro-jet is ∼5574.7 K, which is close to experiment measurement. Several kinds of structural defects including non-bridging oxygen are found in the bulk area of the sample after ejection.« less

Topographies and dynamics on multidimensional potential energy surfaces

NASA Astrophysics Data System (ADS)

Ball, Keith Douglas

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

Hall effects on unsteady MHD flow of second grade fluid through porous medium with ramped wall temperature and ramped surface concentration

NASA Astrophysics Data System (ADS)

VeeraKrishna, M.; Chamkha, Ali J.

2018-05-01

The heat generation/absorption and thermo-diffusion on an unsteady free convective MHD flow of radiating and chemically reactive second grade fluid near an infinite vertical plate through a porous medium and taking the Hall current into account have been studied. Assume that the bounding plate has a ramped temperature with a ramped surface concentration and isothermal temperature with a ramped surface concentration. The analytical solutions for the governing equations are obtained by making use of the Laplace transforms technique. The velocity, temperature, and concentration profiles are discussed through graphs. We also found that velocity, temperature, and concentration profiles in the case of ramped temperature with ramped surface concentrations are less than those of isothermal temperature with ramped surface concentrations. Also, the expressions of the skin friction, Nusselt number, and Sherwood number are obtained and represented computationally through a tabular form.

Tunable Spin dependent beam shift by simultaneously tailoring geometric and dynamical phases of light in inhomogeneous anisotropic medium

PubMed Central

Pal, Mandira; Banerjee, Chitram; Chandel, Shubham; Bag, Ankan; Majumder, Shovan K.; Ghosh, Nirmalya

2016-01-01

Spin orbit interaction and the resulting Spin Hall effect of light are under recent intensive investigations because of their fundamental nature and potential applications. Here, we report an interesting manifestation of spin Hall effect of light and demonstrate its tunability in an inhomogeneous anisotropic medium exhibiting spatially varying retardance level. In our system, the beam shift occurs only for one circular polarization mode keeping the other orthogonal mode unaffected, which is shown to arise due to the combined spatial gradients of the geometric phase and the dynamical phase of light. The constituent two orthogonal circular polarization modes of an input linearly polarized light evolve in different trajectories, eventually manifesting as a large and tunable spin separation. The spin dependent beam shift and the demonstrated principle of simultaneously tailoring space-varying geometric and dynamical phase of light for achieving its tunability (of both magnitude and direction), may provide an attractive route towards development of spin-optical devices. PMID:28004825

Bubble Dynamics on a Heated Surface

NASA Technical Reports Server (NTRS)

Kassemi, M.; Rashidnia, N.

1999-01-01

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

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.

Dynamics of the Streptococcus gordonii Transcriptome in Response to Medium, Salivary α-Amylase, and Starch

PubMed Central

Haase, Elaine M.; Feng, Xianghui; Pan, Jiachuan; Miecznikowski, Jeffrey C.

2015-01-01

Streptococcus gordonii, a primary colonizer of the tooth surface, interacts with salivary α-amylase via amylase-binding protein A (AbpA). This enzyme hydrolyzes starch to glucose, maltose, and maltodextrins that can be utilized by various oral bacteria for nutrition. Microarray studies demonstrated that AbpA modulates gene expression in response to amylase, suggesting that the amylase-streptococcal interaction may function in ways other than nutrition. The goal of this study was to explore the role of AbpA in gene regulation through comparative transcriptional profiling of wild-type KS1 and AbpA− mutant KS1ΩabpA under various environmental conditions. A portion of the total RNA isolated from mid-log-phase cells grown in 5% CO2 in (i) complex medium with or without amylase, (ii) defined medium (DM) containing 0.8% glucose with/without amylase, and (iii) DM containing 0.2% glucose and amylase with or without starch was reverse transcribed to cDNA and the rest used for RNA sequencing. Changes in the expression of selected genes were validated by quantitative reverse transcription-PCR. Maltodextrin-associated genes, fatty acid synthesis genes and competence genes were differentially expressed in a medium-dependent manner. Genes in another cluster containing a putative histidine kinase/response regulator, peptide methionine sulfoxide reductase, thioredoxin protein, lipoprotein, and cytochrome c-type protein were downregulated in KS1ΩabpA under all of the environmental conditions tested. Thus, AbpA appears to modulate genes associated with maltodextrin utilization/transport and fatty acid synthesis. Importantly, in all growth conditions AbpA was associated with increased expression of a potential two-component signaling system associated with genes involved in reducing oxidative stress, suggesting a role in signal transduction and stress tolerance. PMID:26025889

Dynamics of the Streptococcus gordonii Transcriptome in Response to Medium, Salivary α-Amylase, and Starch.

PubMed

Haase, Elaine M; Feng, Xianghui; Pan, Jiachuan; Miecznikowski, Jeffrey C; Scannapieco, Frank A

2015-08-15

Streptococcus gordonii, a primary colonizer of the tooth surface, interacts with salivary α-amylase via amylase-binding protein A (AbpA). This enzyme hydrolyzes starch to glucose, maltose, and maltodextrins that can be utilized by various oral bacteria for nutrition. Microarray studies demonstrated that AbpA modulates gene expression in response to amylase, suggesting that the amylase-streptococcal interaction may function in ways other than nutrition. The goal of this study was to explore the role of AbpA in gene regulation through comparative transcriptional profiling of wild-type KS1 and AbpA(-) mutant KS1ΩabpA under various environmental conditions. A portion of the total RNA isolated from mid-log-phase cells grown in 5% CO2 in (i) complex medium with or without amylase, (ii) defined medium (DM) containing 0.8% glucose with/without amylase, and (iii) DM containing 0.2% glucose and amylase with or without starch was reverse transcribed to cDNA and the rest used for RNA sequencing. Changes in the expression of selected genes were validated by quantitative reverse transcription-PCR. Maltodextrin-associated genes, fatty acid synthesis genes and competence genes were differentially expressed in a medium-dependent manner. Genes in another cluster containing a putative histidine kinase/response regulator, peptide methionine sulfoxide reductase, thioredoxin protein, lipoprotein, and cytochrome c-type protein were downregulated in KS1ΩabpA under all of the environmental conditions tested. Thus, AbpA appears to modulate genes associated with maltodextrin utilization/transport and fatty acid synthesis. Importantly, in all growth conditions AbpA was associated with increased expression of a potential two-component signaling system associated with genes involved in reducing oxidative stress, suggesting a role in signal transduction and stress tolerance. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

Computation of the three-dimensional medial surface dynamics of the vocal folds.

PubMed

Döllinger, Michael; Berry, David A

2006-01-01

To increase our understanding of pathological and healthy voice production, quantitative measurement of the medial surface dynamics of the vocal folds is significant, albeit rarely performed because of the inaccessibility of the vocal folds. Using an excised hemilarynx methodology, a new calibration technique, herein referred to as the linear approximate (LA) method, was introduced to compute the three-dimensional coordinates of fleshpoints along the entire medial surface of the vocal fold. The results were compared with results from the direct linear transform. An associated error estimation was presented, demonstrating the improved accuracy of the new method. A test on real data was reported including computation of quantitative measurements of vocal fold dynamics.

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

NASA Astrophysics Data System (ADS)

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

2009-03-01

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

Effect of glycosylation on hydration behavior at the ice-binding surface of the Ocean Pout type III antifreeze protein: a molecular dynamics simulation.

PubMed

Halder, Swagata; Mukhopadhyay, Chaitali

2017-12-01

Antifreeze proteins (AFPs), found in certain vertebrates, plants, fungi and bacteria have the ability to permit their survival in subzero environments by thermal hysteresis mechanism. However, the exact mechanism of ice growth inhibition is still not clearly understood. Here, four long explicit molecular dynamics (MD) simulations have been carried out at two different temperatures (277 and 298 K) with and without glycan to study the conformational rigidity of the Ocean pout type III antifreeze protein in aqueous medium and the structural arrangements of water molecules hydrating its ice-binding surface. It is found that irrespective of the temperature the ice-binding surface (IBS) of the protein is relatively more rigid than its non ice-binding surface (NonIBS) in its native and glycosylated form. Hydrophilic residues N14, T18 and Q44 are essential to antifreeze activity. Radial distribution, density distribution function and nearest neighbor orientation plots with respect to individual two surfaces confirm that density of water molecule near these binding surface in native and glycosylated form are relatively more than the nonbinding surface. The glycosylated form shows a strong peak than the native one. From rotational auto correlation function of water molecules around ice-binding sites, it is prominent that with increase in temperature, strong interaction between the water oxygen and the hydrogen bond acceptor group on the protein-binding surface decreases. This provides a possible molecular reason behind the ice-binding activity of ocean pout at the prism plane of ice.

Direct imaging of delayed magneto-dynamic modes induced by surface acoustic waves.

PubMed

Foerster, Michael; Macià, Ferran; Statuto, Nahuel; Finizio, Simone; Hernández-Mínguez, Alberto; Lendínez, Sergi; Santos, Paulo V; Fontcuberta, Josep; Hernàndez, Joan Manel; Kläui, Mathias; Aballe, Lucia

2017-09-01

The magnetoelastic effect-the change of magnetic properties caused by the elastic deformation of a magnetic material-has been proposed as an alternative approach to magnetic fields for the low-power control of magnetization states of nanoelements since it avoids charge currents, which entail ohmic losses. Here, we have studied the effect of dynamic strain accompanying a surface acoustic wave on magnetic nanostructures in thermal equilibrium. We have developed an experimental technique based on stroboscopic X-ray microscopy that provides a pathway to the quantitative study of strain waves and magnetization at the nanoscale. We have simultaneously imaged the evolution of both strain and magnetization dynamics of nanostructures at the picosecond time scale and found that magnetization modes have a delayed response to the strain modes, adjustable by the magnetic domain configuration. Our results provide fundamental insight into magnetoelastic coupling in nanostructures and have implications for the design of strain-controlled magnetostrictive nano-devices.Understanding the effects of local dynamic strain on magnetization may help the development of magnetic devices. Foerster et al. demonstrate stroboscopic imaging that allows the observation of both strain and magnetization dynamics in nickel when surface acoustic waves are driven in the substrate.

Characterizing interstate vibrational coherent dynamics of surface adsorbed catalysts by fourth-order 3D SFG spectroscopy

NASA Astrophysics Data System (ADS)

Li, Yingmin; Wang, Jiaxi; Clark, Melissa L.; Kubiak, Clifford P.; Xiong, Wei

2016-04-01

We report the first fourth-order 3D SFG spectroscopy of a monolayer of the catalyst Re(diCN-bpy)(CO)3Cl on a gold surface. Besides measuring the vibrational coherences of single vibrational modes, the fourth-order 3D SFG spectrum also measures the dynamics of interstate coherences and vibrational coherences states between two vibrational modes. By comparing the 3D SFG to the corresponding 2D and third-order 3D IR spectroscopy of the same molecules in solution, we found that the interstate coherences exist in both liquid and surface systems, suggesting that the interstate coherence is not disrupted by surface interactions. However, by analyzing the 3D spectral lineshape, we found that the interstate coherences also experience non-negligible homogenous dephasing dynamics that originate from surface interactions. This unique ability of determining interstate vibrational coherence dynamics of the molecular monolayer can help in understanding of how energy flows within surface catalysts and other molecular monolayers.

Theory of the reaction dynamics of small molecules on metal surfaces

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

Jackson, Bret

The objective of this project has been to develop realistic theoretical models for gas-surface interactions, with a focus on processes important in heterogeneous catalysis. The dissociative chemisorption of a molecule on a metal is a key step in many catalyzed reactions, and is often the rate-limiting step. We have explored the dissociative chemisorption of H 2, H 2O and CH 4 on a variety of metal surfaces. Most recently, our extensive studies of methane dissociation on Ni and Pt surfaces have fully elucidated its dependence on translational energy, vibrational state and surface temperature, providing the first accurate comparisons with experimentalmore » data. We have explored Eley-Rideal and hot atom reactions of H atoms with H- and C-covered metal surfaces. H atom interactions with graphite have also been explored, including both sticking and Eley-Rideal recombination processes. Again, our methods made it possible to explain several experiments studying these reactions. The sticking of atoms on metal surfaces has also been studied. To help elucidate the experiments that study these processes, we examine how the reaction dynamics depend upon the nature of the molecule-metal interaction, as well as experimental variables such as substrate temperature, beam energy, angle of impact, and the internal states of the molecules. Electronic structure methods based on Density Functional Theory are used to compute each molecule-metal potential energy surface. Both time-dependent quantum scattering techniques and quasi-classical methods are used to examine the reaction or scattering dynamics. Much of our effort has been directed towards developing improved quantum methods that can accurately describe reactions, as well as include the effects of substrate temperature (lattice vibration).« less

Study of silicon crystal surface formation based on molecular dynamics simulation results

NASA Astrophysics Data System (ADS)

Barinovs, G.; Sabanskis, A.; Muiznieks, A.

2014-04-01

The equilibrium shape of <110>-oriented single crystal silicon nanowire, 8 nm in cross-section, was found from molecular dynamics simulations using LAMMPS molecular dynamics package. The calculated shape agrees well to the shape predicted from experimental observations of nanocavities in silicon crystals. By parametrization of the shape and scaling to a known value of {111} surface energy, Wulff form for solid-vapor interface was obtained. The Wulff form for solid-liquid interface was constructed using the same model of the shape as for the solid-vapor interface. The parameters describing solid-liquid interface shape were found using values of surface energies in low-index directions known from published molecular dynamics simulations. Using an experimental value of the liquid-vapor interface energy for silicon and graphical solution of Herring's equation, we constructed angular diagram showing relative equilibrium orientation of solid-liquid, liquid-vapor and solid-vapor interfaces at the triple phase line. The diagram gives quantitative predictions about growth angles for different growth directions and formation of facets on the solid-liquid and solid-vapor interfaces. The diagram can be used to describe growth ridges appearing on the crystal surface grown from a melt. Qualitative comparison to the ridges of a Float zone silicon crystal cone is given.

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

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

NASA Astrophysics Data System (ADS)

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

2010-02-01

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

Modification of Surface Density of a Porous Medium

NASA Technical Reports Server (NTRS)

Stackpoole, Margaret M. (Inventor); Espinoza, Christian (Inventor)

2016-01-01

A method for increasing density of a region of a porous, phenolic bonded ("PPB") body adjacent to a selected surface to increase failure tensile strength of the adjacent region and/or to decrease surface recession at elevated temperatures. When the surface-densified PPB body is brought together with a substrate, having a higher failure tensile strength, to form a composite body with a PPB body/substrate interface, the location of tensile failure is moved to a location spaced apart from the interface, the failure tensile strength of the PPB body is increased, and surface recession of the material at elevated temperature is reduced. The method deposits and allows diffusion of a phenolic substance on the selected surface. The PPB body and the substrate may be heated and brought together to form the composite body. The phenolic substance is allowed to diffuse into the PPB body, to volatilize and to cure, to provide a processed body with an increased surface density.

Structural Origin of Enhanced Dynamics at the Surface of a Glassy Alloy

NASA Astrophysics Data System (ADS)

Sun, Gang; Saw, Shibu; Douglass, Ian; Harrowell, Peter

2017-12-01

The enhancement of mobility at the surface of an amorphous alloy is studied using a combination of molecular dynamic simulations and normal mode analysis of the nonuniform distribution of Debye-Waller factors. The increased mobility at the surface is found to be associated with the appearance of Arrhenius temperature dependence. We show that the transverse Debye-Waller factor exhibits a peak at the surface. Over the accessible temperature range, we find that the bulk and surface diffusion coefficients obey the same empirical relationship with the respective Debye-Waller factors. Extrapolating this relationship to lower T , we argue that the observed decrease in the constraint at the surface is sufficient to account for the experimentally observed surface enhancement of mobility.

GPI-anchored protein organization and dynamics at the cell surface

PubMed Central

Saha, Suvrajit; Anilkumar, Anupama Ambika; Mayor, Satyajit

2016-01-01

The surface of eukaryotic cells is a multi-component fluid bilayer in which glycosylphosphatidylinositol (GPI)-anchored proteins are an abundant constituent. In this review, we discuss the complex nature of the organization and dynamics of GPI-anchored proteins at multiple spatial and temporal scales. Different biophysical techniques have been utilized for understanding this organization, including fluorescence correlation spectroscopy, fluorescence recovery after photobleaching, single particle tracking, and a number of super resolution methods. Major insights into the organization and dynamics have also come from exploring the short-range interactions of GPI-anchored proteins by fluorescence (or Förster) resonance energy transfer microscopy. Based on the nanometer to micron scale organization, at the microsecond to the second time scale dynamics, a picture of the membrane bilayer emerges where the lipid bilayer appears inextricably intertwined with the underlying dynamic cytoskeleton. These observations have prompted a revision of the current models of plasma membrane organization, and suggest an active actin-membrane composite. PMID:26394904

Molecular dynamics simulations of β2-microglobulin interaction with hydrophobic surfaces.

PubMed

Dongmo Foumthuim, Cedrix J; Corazza, Alessandra; Esposito, Gennaro; Fogolari, Federico

2017-11-21

Hydrophobic surfaces are known to adsorb and unfold proteins, a process that has been studied only for a few proteins. Here we address the interaction of β2-microglobulin, a paradigmatic protein for the study of amyloidogenesis, with hydrophobic surfaces. A system with 27 copies of the protein surrounded by a model cubic hydrophobic box is studied by implicit solvent molecular dynamics simulations. Most proteins adsorb on the walls of the box without major distortions in local geometry, whereas free molecules maintain proper structures and fluctuations as observed in explicit solvent molecular dynamics simulations. The major conclusions from the simulations are as follows: (i) the adopted implicit solvent model is adequate to describe protein dynamics and thermodynamics; (ii) adsorption occurs readily and is irreversible on the simulated timescale; (iii) the regions most involved in molecular encounters and stable interactions with the walls are the same as those that are important in protein-protein and protein-nanoparticle interactions; (iv) unfolding following adsorption occurs at regions found to be flexible by both experiments and simulations; (v) thermodynamic analysis suggests a very large contribution from van der Waals interactions, whereas unfavorable electrostatic interactions are not found to contribute much to adsorption energy. Surfaces with different degrees of hydrophobicity may occur in vivo. Our simulations show that adsorption is a fast and irreversible process which is accompanied by partial unfolding. The results and the thermodynamic analysis presented here are consistent with and rationalize previous experimental work.

Simplified method for preparation of concentrated exoproteins produced by Staphylococcus aureus grown on surface of cellophane bag containing liquid medium.

PubMed

Ikigai, H; Seki, K; Nishihara, S; Masuda, S

1988-01-01

A simplified method for preparation of concentrated exoproteins including protein A and alpha-toxin produced by Staphylococcus aureus was successfully devised. The concentrated proteins were obtained by cultivating S. aureus organisms on the surface of a liquid medium-containing cellophane bag enclosed in a sterilized glass flask. With the same amount of medium, the total amount of proteins obtained by the method presented here was identical with that obtained by conventional liquid culture. The concentration of proteins obtained by the method, however, was high enough to observe their distinct bands stained on polyacrylamide gel electrophoresis. This method was considered quite useful not only for large-scale cultivation for the purification of staphylococcal proteins but also for small-scale study using the proteins. The precise description of the method was presented and its possible usefulness was discussed.

Dynamics of collision of a vortex ring and a planar surface

NASA Astrophysics Data System (ADS)

McErlean, Michael; Krane, Michael; Fontaine, Arnold

2008-11-01

The dynamics of the impact between a vortex ring and a planar surface is presented. The vortex rings, generated by piston injection of a slug of water into a quiescent water tank, collide with a surface oriented normally to the ring's direction of travel. The time evolution of both the force imparted to a planar surface and the wall pressure are presented. These are supplemented by DPIV measurements of the evolution of ring strength and structure, before and during impact. The relation between changes in ring structure during collision and the waveforms of impact force and wall pressure will be discussed.

Dynamics of nanoparticle-protein corona complex formation: analytical results from population balance equations.

PubMed

Darabi Sahneh, Faryad; Scoglio, Caterina; Riviere, Jim

2013-01-01

Nanoparticle-protein corona complex formation involves absorption of protein molecules onto nanoparticle surfaces in a physiological environment. Understanding the corona formation process is crucial in predicting nanoparticle behavior in biological systems, including applications of nanotoxicology and development of nano drug delivery platforms. This paper extends the modeling work in to derive a mathematical model describing the dynamics of nanoparticle corona complex formation from population balance equations. We apply nonlinear dynamics techniques to derive analytical results for the composition of nanoparticle-protein corona complex, and validate our results through numerical simulations. The model presented in this paper exhibits two phases of corona complex dynamics. In the first phase, proteins rapidly bind to the free surface of nanoparticles, leading to a metastable composition. During the second phase, continuous association and dissociation of protein molecules with nanoparticles slowly changes the composition of the corona complex. Given sufficient time, composition of the corona complex reaches an equilibrium state of stable composition. We find analytical approximate formulae for metastable and stable compositions of corona complex. Our formulae are very well-structured to clearly identify important parameters determining corona composition. The dynamics of biocorona formation constitute vital aspect of interactions between nanoparticles and living organisms. Our results further understanding of these dynamics through quantitation of experimental conditions, modeling results for in vitro systems to better predict behavior for in vivo systems. One potential application would involve a single cell culture medium related to a complex protein medium, such as blood or tissue fluid.

Influence of chemistry on wetting dynamics of nanotextured hydrophobic surfaces.

PubMed

Di Mundo, Rosa; Palumbo, Fabio; d'Agostino, Riccardo

2010-04-06

In this work, the role of a chemical parameter, such as the degree of fluorination, on the wetting behavior of nanotextured hydrophobic surfaces is investigated. Texture and chemistry tuning of the surfaces has been accomplished with single batch radiofrequency low-pressure plasma processes. Polystyrene substrates have been textured by CF(4) plasma etching and subsequently covered by thin films with a tunable F-to-C ratio, obtained in discharges fed with C(4)F(8)-C(2)H(4). Measurements of wetting dynamics reveal a regime transition from adhesive-hydrophobic to slippery-superhydrophobic, i.e., from wet to non wet states, as the F-to-C rises at constant topography. Such achievements are strengthened by calculation of the solid fraction of surface water contact area applying Cassie-Baxter advancing and receding equations to water contact angle data of textured and flat reference surfaces.

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.

Dynamic non-reciprocal meta-surfaces with arbitrary phase reconfigurability based on photonic transition in meta-atoms

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

Shi, Yu; Fan, Shanhui, E-mail: shanhui@stanford.edu

2016-01-11

We introduce a distinct class of dynamic non-reciprocal meta-surfaces with arbitrary phase-reconfigurability. This meta-surface consists of an array of meta-atoms, each of which is subject to temporal refractive index modulation, which induces photonic transitions between the states of the meta-atom. We show that arbitrary phase profile for the outgoing wave can be achieved by controlling the phase of the modulation at each meta-atom. Moreover, such dynamic meta-surfaces exhibit non-reciprocal response without the need for magneto-optical effects. The use of photonic transition significantly enhances the tunability and the possible functionalities of meta-surfaces.

Separation medium containing thermally exfoliated graphite oxide

NASA Technical Reports Server (NTRS)

Prud'homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Herrera-Alonso, Margarita (Inventor)

2012-01-01

A separation medium, such as a chromatography filling or packing, containing a modified graphite oxide material, which is a thermally exfoliated graphite oxide with a surface area of from about 300 m.sup.2/g to 2600 m.sup.2/g, wherein the thermally exfoliated graphite oxide has a surface that has been at least partially functionalized.

Phonons on fcc (100), (110), and (111) surfaces using Lennard-Jones potentials. II. Temperature dependence of surface phonons studied with molecular dynamics

NASA Astrophysics Data System (ADS)

Koleske, D. D.; Sibener, S. J.

In this paper we present temperature dependent studies of the surface phonon dispersion relations for fcc (100), (110), and (111) faces using molecular dynamics (MD) simulations and Lennard-Jones potentials. This study was conducted in order to investigate how anharmonic potential terms influence the dynamical properties of the surface. This was accomplished by examining the temperature dependence of the Q-resolved phonon spectral density function. All phonon frequencies were found to decrease linearly in T as the temperature was increased, while at low temperatures the phonon linewidths increased linearly with T. At higher temperatures, some of the phonon linewidths changed from having a linear to a quadratic dependence on T. The temperature at which this T to T2 change occurs is surface dependent and occurs at the lowest temperature on the (110) surface. The T2 dependence arises from the increasing importance of higher-order phonon-phonon scattering terms. The phonons which exhibit T2 dependence tend to be modes which propagate perpendicularly or nearly perpendicularly to the direction of maximum root-mean-squared displacement (RMSD). This is especially true for the linewidth of the S 1 mode at overlineX on the (110) surface where, at T ≈ 15-23% of the melting temperature, the RMSD perpendicular to the atomic rows become larger than the RMSD normal to the surface. Our results indicate that the dynamics on the (110) surface may be significantly influenced by anharmonic potential terms at temperatures as low as 15% of the melting temperature.

Dynamic Corneal Surface Mapping with Electronic Speckle Pattern Interferometry

NASA Astrophysics Data System (ADS)

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

2013-06-01

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

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.

Elucidating ultrafast electron dynamics at surfaces using extreme ultraviolet (XUV) reflection-absorption spectroscopy.

PubMed

Biswas, Somnath; Husek, Jakub; Baker, L Robert

2018-04-24

Here we review the recent development of extreme ultraviolet reflection-absorption (XUV-RA) spectroscopy. This method combines the benefits of X-ray absorption spectroscopy, such as element, oxidation, and spin state specificity, with surface sensitivity and ultrafast time resolution, having a probe depth of only a few nm and an instrument response less than 100 fs. Using this technique we investigated the ultrafast electron dynamics at a hematite (α-Fe2O3) surface. Surface electron trapping and small polaron formation both occur in 660 fs following photoexcitation. These kinetics are independent of surface morphology indicating that electron trapping is not mediated by defects. Instead, small polaron formation is proposed as the likely driving force for surface electron trapping. We also show that in Fe2O3, Co3O4, and NiO, band gap excitation promotes electron transfer from O 2p valence band states to metal 3d conduction band states. In addition to detecting the photoexcited electron at the metal M2,3-edge, the valence band hole is directly observed as transient signal at the O L1-edge. The size of the resulting charge transfer exciton is on the order of a single metal-oxygen bond length. Spectral shifts at the O L1-edge correlate with metal-oxygen bond covalency, confirming the relationship between valence band hybridization and the overpotential for water oxidation. These examples demonstrate the unique ability to measure ultrafast electron dynamics with element and chemical state resolution using XUV-RA spectroscopy. Accordingly, this method is poised to play an important role to reveal chemical details of previously unseen surface electron dynamics.

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.

Study on Dynamic Development of Three-dimensional Weld Pool Surface in Stationary GTAW

NASA Astrophysics Data System (ADS)

Huang, Jiankang; He, Jing; He, Xiaoying; Shi, Yu; Fan, Ding

2018-04-01

The weld pool contains abundant information about the welding process. In particular, the type of the weld pool surface shape, i. e., convex or concave, is determined by the weld penetration. To detect it, an innovative laser-vision-based sensing method is employed to observe the weld pool surface of the gas tungsten arc welding (GTAW). A low-power laser dots pattern is projected onto the entire weld pool surface. Its reflection is intercepted by a screen and captured by a camera. Then the dynamic development process of the weld pool surface can be detected. By observing and analyzing, the change of the reflected laser dots reflection pattern, for shape of the weld pool surface shape, was found to closely correlate to the penetration of weld pool in the welding process. A mathematical model was proposed to correlate the incident ray, reflected ray, screen and surface of weld pool based on structured laser specular reflection. The dynamic variation of the weld pool surface and its corresponding dots laser pattern were simulated and analyzed. By combining the experimental data and the mathematical analysis, the results show that the pattern of the reflected laser dots pattern is closely correlated to the development of weld pool, such as the weld penetration. The concavity of the pool surface was found to increase rapidly after the surface shape was changed from convex to concave during the stationary GTAW process.

Anomalous water dynamics at surfaces and interfaces: synergistic effects of confinement and surface interactions

NASA Astrophysics Data System (ADS)

Biswas, Rajib; Bagchi, Biman

2018-01-01

In nature, water is often found in contact with surfaces that are extended on the scale of molecule size but small on a macroscopic scale. Examples include lipid bilayers and reverse micelles as well as biomolecules like proteins, DNA and zeolites, to name a few. While the presence of surfaces and interfaces interrupts the continuous hydrogen bond network of liquid water, confinement on a mesoscopic scale introduces new features. Even when extended on a molecular scale, natural and biological surfaces often have features (like charge, hydrophobicity) that vary on the scale of the molecular diameter of water. As a result, many new and exotic features, which are not seen in the bulk, appear in the dynamics of water close to the surface. These different behaviors bear the signature of both water-surface interactions and of confinement. In other words, the altered properties are the result of the synergistic effects of surface-water interactions and confinement. Ultrafast spectroscopy, theoretical modeling and computer simulations together form powerful synergistic approaches towards an understanding of the properties of confined water in such systems as nanocavities, reverse micelles (RMs), water inside and outside biomolecules like proteins and DNA, and also between two hydrophobic walls. We shall review the experimental results and place them in the context of theory and simulations. For water confined within RMs, we discuss the possible interference effects propagating from opposite surfaces. Similar interference is found to give rise to an effective attractive force between two hydrophobic surfaces immersed and kept fixed at a separation of d, with the force showing an exponential dependence on this distance. For protein and DNA hydration, we shall examine a multitude of timescales that arise from frustration effects due to the inherent heterogeneity of these surfaces. We pay particular attention to the role of orientational correlations and modification of the

Picosecond Dynamics Of The GaAs (110) Surface Studied With Laser Photoemission

NASA Astrophysics Data System (ADS)

Haight, R.; Silberman, J. A.; Lilie, M. I.

1988-08-01

A novel laser system and detection scheme is described which has been developed to investigate the transient dynamics of photoexcited electrons at material surfaces and interfaces with photoemission. The excited carrier population on the surface of GaAs (110) and the related Cr/GaAs (110) surface has been studied with 1-2 picosecond time resolution. Studies reveal a rapid rise and fall of the photexcited carrier population at the clean semiconductor surface within 15 picoseconds of excitation. For times greater than 15 picoseconds the carrier density decays slowly. Studies of the photoexcited surface after deposition of small numbers of Cr atoms reveal a remarkable decrease in the carrier density observed at the surface for a coverage as low as .006 monolayer.

Mathematical modeling of the kinetics of deposition of particles during their pulse introduction through the free surface of a mixed-medium plane layer

NASA Astrophysics Data System (ADS)

Boger, A. A.; Ryazhskikh, V. I.; Slyusarev, M. I.

2012-01-01

Based on diffusion concepts of transfer of slightly concentrated polydisperse suspensions in the gravity field, we propose a mathematical model of the kinetics of deposition of such suspensions in a plane layer of a homogeneously mixed medium through the free surface of which Stokesian particles penetrate according to the rectangular pulse law.

Reactive Molecular Dynamics Investigations of Alkoxysilane Sol-Gel and Surface Coating Processes

NASA Astrophysics Data System (ADS)

Deetz, Joshua David

The ability to generate nanostructured materials with tailored morphology or chemistry is of great technological interest. One proven method of generating metal-oxide materials, and chemically modifying metal-oxide surfaces is through the reactions of molecular building blocks known as alkoxysilanes. Alkoxysilanes are a class of chemicals which contain one or more organic alkoxy groups bonded to silicon atoms. Alkoxysilane (Si-O-R) chemical groups can undergo reactions to form bridges (Si-O-M) with metal oxides. Due to their ability to "attach" to metal-oxides through condensation reactions, alkoxysilanes have a number of interesting applications, such as: the generation of synthetic siloxane materials through the sol-gel process, and the formation of functionalized surface coatings on metal-oxide surfaces. Despite widespread study of sol-gel and surface coatings processes, it is difficult to predict the morphology of the final products due to the large number of process variables involved, such as precursor molecule structure, solvent effects, solution composition, temperature, and pH. To determine the influence of these variables on the products of sol-gel and coatings processes reactive molecular dynamics simulations are used. A reactive force field was used (ReaxFF) to allow the chemical bonds in simulation to dynamically form and break. The force field parameters were optimized using a parallel optimization scheme with a combination of experimental information, and density functional theory calculations. Polycondensation of alkoxysilanes in mixtures of alcohol and water were studied. Steric effects were observed to influence the rates of hydrolysis and condensation in solutions containing different precursor monomers. By restricting the access of nucleophiles to the central silicon atom, the nucleation rate of siloxanes can be controlled. The influence of solution precursor, water, and methanol composition on reaction rates was explored. It was determined that

Using dynamic interferometric synthetic aperature radar (InSAR) to image fast-moving surface waves

DOEpatents

Vincent, Paul

2005-06-28

A new differential technique and system for imaging dynamic (fast moving) surface waves using Dynamic Interferometric Synthetic Aperture Radar (InSAR) is introduced. This differential technique and system can sample the fast-moving surface displacement waves from a plurality of moving platform positions in either a repeat-pass single-antenna or a single-pass mode having a single-antenna dual-phase receiver or having dual physically separate antennas, and reconstruct a plurality of phase differentials from a plurality of platform positions to produce a series of desired interferometric images of the fast moving waves.

Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

NASA Astrophysics Data System (ADS)

Zutz, Amelia Marie

Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

Impact of cloud timing on surface temperature and related hydroclimatic dynamics

NASA Astrophysics Data System (ADS)

Porporato, A. M.; Yin, J.

2015-12-01

Cloud feedbacks have long been identified as one of the largest source of uncertainty in climate change predictions. Differences in the spatial distribution of clouds and the related impact on surface temperature and climate dynamics have been recently emphasized in quasi-equilibrium General Circulation Models (GCM). However, much less attention has been paid to the temporal variation of cloud presence and thickness. Clouds in fact shade the solar radiation during the daytime, but also acts as greenhouse gas to reduce the emission of longwave radiation to the outer space anytime of the day. Thus it is logical to expect that even small differences in timing and thickness of clouds could result in very different predictions in GCMs. In this study, these two effects of cloud dynamics are analyzed by tracking the cloud impacts on longwave and shortwave radiation in a minimalist transient thermal balance model of the land surface. The marked changes in surface temperature due to alterations in the timing of onset of clouds demonstrate that capturing temporal variation of cloud at sub-daily scale should be a priority in cloud parameterization schemes in GCMs.

Characterization of dynamic droplet impaction and deposit formation on leaf surfaces

USDA-ARS?s Scientific Manuscript database

Elucidation of droplet dynamic impaction and deposition formation on leaf surfaces would assist to optimize application strategies, improve biological control efficiency, and minimize pesticide waste. A custom-designed system consisting of two high-speed digital cameras and a uniform-size droplet ge...

The toxicity of plastic nanoparticles to green algae as influenced by surface modification, medium hardness and cellular adsorption.

PubMed

Nolte, Tom M; Hartmann, Nanna B; Kleijn, J Mieke; Garnæs, Jørgen; van de Meent, Dik; Jan Hendriks, A; Baun, Anders

2017-02-01

To investigate processes possibly underlying accumulation and ecological effects of plastic nano-particles we have characterized their interaction with the cell wall of green algae. More specifically, we have investigated the influence of particle surface functionality and water hardness (Ca 2+ concentration) on particle adsorption to algae cell walls. Polystyrene nanoparticles with different functional groups (non-functionalized, -COOH and -NH 2 ) as well as coated (starch and PEG) gold nanoparticles were applied in these studies. Depletion measurements and atomic force microscopy (AFM) showed that adsorption of neutral and positively charged plastic nanoparticles onto the cell wall of P. subcapitata was stronger than that of negatively charged plastic particles. Results indicated that binding affinity is a function of both inter-particle and particle-cell wall interactions which are in turn influenced by the medium hardness and particle concentration. Physicochemical modelling using DLVO theory was used to interpret the experimental data, using also values for interfacial surface free energies. Our study shows that material properties and medium conditions play a crucial role in the rate and state of nanoparticle bio-adsorption for green algae. The results show that the toxicity of nanoparticles can be better described and assessed by using appropriate dose metrics including material properties, complexation/agglomeration behavior and cellular attachment and adsorption. The applied methodology provides an efficient and feasible approach for evaluating potential accumulation and hazardous effects of nanoparticles to algae caused by particle interactions with the algae cell walls. Copyright © 2016 Elsevier B.V. All rights reserved.

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.

Planation surfaces as a record of medium to large wavelength deformation: the example of the Lake Albert Rift (Uganda) on the East African Dome

NASA Astrophysics Data System (ADS)

Brendan, Simon; François, Guillocheau; Cécile, Robin; Jean, Braun; Olivier, Dauteuil; Massimo, Dall'Asta

2016-04-01

African relief is characterized by planation surfaces, some of them of continental scale. These surfaces are slightly deformed according to different wavelengths (x10 km; x100 km, x1000 km) which record both mantle dynamics (very long wavelength, x 1000 km) and lithosphere deformation (long wavelength deformation, x 100 km). Different types of these planation surfaces are recognized: - Etchplains capped by iron-duricrust which correspond to erosional nearly flat weathered surfaces resulting from the growth of laterites under warm and humid conditions. - Pediments which define mechanical erosional surfaces with concave or rectilinear profiles delimited by upslope scarps connected upstream with the upper landforms. We here focused on the Lake Albert Rift at the northern termination of the western branch of the East African Rift System of which the two branches are surimposed on the East-African Dome. Different wavelengths of deformation were characterized based on the 3D mapping of stepped planation surfaces: (1) very long wavelength deformations resulting from the uplift of the East African Dome; (2) long wavelength deformations resulting from the opening of the eastern branch and (3) medium wavelength deformations represented by the uplift of rift shoulders like the Rwenzori Mountains. The paleo-landscape reconstruction of Uganda shows the existence of four generations of landforms dated according to their geometrical relationships with volcanic rocks. A four stepped evolution of the Ugandan landforms is proposed: • 70 - 22 Ma: generation of two weathered planation surfaces (etchplain Uw and Iw). The upper one (Uw) records a very humid period culminating at time of the Early Eocene Climatic Optimum (70-45 Ma). It corresponds to the African Surface. A first uplift of the East African Dome generates a second lower planation surface (Iw) connected to the Atlantic Ocean base level; • 17-2.7 Ma: planation of large pediplains connected to the local base level induced

Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

PubMed

Ge, Zhenpeng; Wang, Yi

2017-04-20

Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations

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

Belyaev, Andrey K., E-mail: belyaev@herzen.spb.ru; Domcke, Wolfgang, E-mail: wolfgang.domcke@ch.tum.de; Lasser, Caroline, E-mail: classer@ma.tum.de

The Landau–Zener (LZ) type classical-trajectory surface-hopping algorithm is applied to the nonadiabatic nuclear dynamics of the ammonia cation after photoionization of the ground-state neutral molecule to the excited states of the cation. The algorithm employs a recently proposed formula for nonadiabatic LZ transition probabilities derived from the adiabatic potential energy surfaces. The evolution of the populations of the ground state and the two lowest excited adiabatic states is calculated up to 200 fs. The results agree well with quantum simulations available for the first 100 fs based on the same potential energy surfaces. Three different time scales are detected formore » the nuclear dynamics: Ultrafast Jahn–Teller dynamics between the excited states on a 5 fs time scale; fast transitions between the excited state and the ground state within a time scale of 20 fs; and relatively slow partial conversion of a first-excited-state population to the ground state within a time scale of 100 fs. Beyond 100 fs, the adiabatic electronic populations are nearly constant due to a dynamic equilibrium between the three states. The ultrafast nonradiative decay of the excited-state populations provides a qualitative explanation of the experimental evidence that the ammonia cation is nonfluorescent.« less

Dynamic growth of slip surfaces in catastrophic landslides.

PubMed

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

2016-01-01

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

Dynamic growth of slip surfaces in catastrophic landslides

PubMed Central

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

2016-01-01

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

Demonstration of surface plasmons in metal island films and the effect of the surrounding medium--An undergraduate experiment

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

Orfanides, P.; Buckner, T. F.; Buncick, M. C.

2000-10-01

We present a demonstration of the surface plasmon phenomenon as it occurs in thin metal island films. The metal films are deposited on glass microscope slides. The effect of the surface plasmon resonance may be observed visually on the slide without further apparatus. Heating the film changes the shape of the islands and therefore the resonant frequency of the surface plasmon and changes the color of the film. Placing the film in a dielectric medium changes the resonance condition for the surface plasmon again and changes the color again. We show this by coating the slides with commercially available liquidsmore » with different indices of refraction. We present a theoretical model that assumes the islands are oblate spheroids. There are enough details given so that the equations can be programed and the theoretical optical absorbance can be reproduced. We also present a modification to the theory so that the shift in resonant frequency can be calculated when the spheroids are immersed in the index fluids. We describe our apparatus for making thin films and our optical spectrometer system. We then present optical absorbance measurements of thin films of both Ag and Au in air and in two liquids with different indices of refraction. (c) 2000 American Association of Physics Teachers.« less

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.

Post-fire surface fuel dynamics in California forests across three burn severity classes

Treesearch

Bianca N. I. Eskelson; Vicente J. Monleon

2018-01-01

Forest wildfires consume fuel and are followed by post-fire fuel accumulation. This study examines post-fire surface fuel dynamics over 9 years across a wide range of conditions characteristic of California fires in dry conifer and hardwood forests. We estimated post-fire surface fuel loadings (Mg ha _1) from 191 repeatedly measured United States...

Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

NASA Astrophysics Data System (ADS)

Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin

2017-06-01

The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

GPI-anchored protein organization and dynamics at the cell surface.

PubMed

Saha, Suvrajit; Anilkumar, Anupama Ambika; Mayor, Satyajit

2016-02-01

The surface of eukaryotic cells is a multi-component fluid bilayer in which glycosylphosphatidylinositol (GPI)-anchored proteins are an abundant constituent. In this review, we discuss the complex nature of the organization and dynamics of GPI-anchored proteins at multiple spatial and temporal scales. Different biophysical techniques have been utilized for understanding this organization, including fluorescence correlation spectroscopy, fluorescence recovery after photobleaching, single particle tracking, and a number of super resolution methods. Major insights into the organization and dynamics have also come from exploring the short-range interactions of GPI-anchored proteins by fluorescence (or Förster) resonance energy transfer microscopy. Based on the nanometer to micron scale organization, at the microsecond to the second time scale dynamics, a picture of the membrane bilayer emerges where the lipid bilayer appears inextricably intertwined with the underlying dynamic cytoskeleton. These observations have prompted a revision of the current models of plasma membrane organization, and suggest an active actin-membrane composite. Copyright © 2016 by the American Society for Biochemistry and Molecular Biology, Inc.

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

Response surface method optimization of ectoine fermentation medium with moderate halophilic bacteria Halomonas sp. H02

NASA Astrophysics Data System (ADS)

Li, T. T.; Qu, A.; Yuan, X. N.; Tan, F. X.; Li, X. W.; Wang, T.; Zhang, L. H.

2017-07-01

Moderate halophilic bacteria are of halophilic bacteria whose suitable growth of NaCl is 5-10%. When the moderate halophilic bacteria response to high osmotic stress, the intracellular will synthesize small organic molecule compatible solutes. Ectoine, which is the major synthetic osmotic compatible solutes for moderate halophilic bacteria, can help microbial enzymes, nucleic acids and the whole cell resist to hypertonic, high temperature, freezing and other inverse environment. In order to increase the Ectoine production of Moderate halophilic bacteria Halomonas sp. H02, the Ectoine fermentation medium component was optimized by Plackett-Burman (PB) and Response Surface Methodology (RSM) based on the principle of non-complete equilibrium The results of PB experiments showed that the three main influencing factors of Moderate halophilic bacteria Halomonas sp. H02 synthesis Ectoine culture medium were C5H8NNaO4 concentration, NaCl concentration and initial pH. According to the center point of the steepest climbing experiment, the central combination design experiment was used to show that the model is consistent with the actual situation. The optimum combination of three influencing factors were C5H8NNaO4 41 g/L, NaCl 87.2 g/L and initial pH 5.9, and the predicted amount of Ectoine was 1835.8 mg/L, increased by 41.6%.

In Situ Atomic Scale Visualization Of Surface Kinetics Driven Dynamics Of Oxide Growth On A Ni–Cr Surface

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

Luo, Langli; Zou, Lianfeng; Schreiber, Daniel K.

2016-01-20

We report in situ atomic-scale visualization of the dynamical three-dimensional (3D) growth of NiO during initial oxidation of Ni-10at%Cr using environmental transmission electron microscopy (ETEM). Despite the thermodynamic preference for Cr2O3 formation, cubic NiO oxides nucleated and grew epitaxially as the dominating oxide phase on the Ni-Cr (100) surface during initial oxidation. The growth of NiO islands proceeds through step-by-step adatom mechanism in 3D, which is sustained by surface diffusion of Ni and O atoms. Although the shapes of oxide islands are controlled by strain energy between oxide and alloy substrate, local surface kinetic variations can lead to the changemore » of surface planes of oxide islands. These results demonstrate that surface diffusion dominates initial oxidation of Ni-Cr in these test conditions.« less

Modeling, simulation, and concept design for hybrid-electric medium-size military trucks

NASA Astrophysics Data System (ADS)

Rizzoni, Giorgio; Josephson, John R.; Soliman, Ahmed; Hubert, Christopher; Cantemir, Codrin-Gruie; Dembski, Nicholas; Pisu, Pierluigi; Mikesell, David; Serrao, Lorenzo; Russell, James; Carroll, Mark

2005-05-01

A large scale design space exploration can provide valuable insight into vehicle design tradeoffs being considered for the U.S. Army"s FMTV (Family of Medium Tactical Vehicles). Through a grant from TACOM (Tank-automotive and Armaments Command), researchers have generated detailed road, surface, and grade conditions representative of the performance criteria of this medium-sized truck and constructed a virtual powertrain simulator for both conventional and hybrid variants. The simulator incorporates the latest technology among vehicle design options, including scalable ultracapacitor and NiMH battery packs as well as a variety of generator and traction motor configurations. An energy management control strategy has also been developed to provide efficiency and performance. A design space exploration for the family of vehicles involves running a large number of simulations with systematically varied vehicle design parameters, where each variant is paced through several different mission profiles and multiple attributes of performance are measured. The resulting designs are filtered to remove dominated designs, exposing the multi-criterial surface of optimality (Pareto optimal designs), and revealing the design tradeoffs as they impact vehicle performance and economy. The results are not yet definitive because ride and drivability measures were not included, and work is not finished on fine-tuning the modeled dynamics of some powertrain components. However, the work so far completed demonstrates the effectiveness of the approach to design space exploration, and the results to date suggest the powertrain configuration best suited to the FMTV mission.

Global dynamics of the Escherichia coli proteome and phosphoproteome during growth in minimal medium.

PubMed

Soares, Nelson C; Spät, Philipp; Krug, Karsten; Macek, Boris

2013-06-07

Recent phosphoproteomics studies have generated relatively large data sets of bacterial proteins phosphorylated on serine, threonine, and tyrosine, implicating this type of phosphorylation in the regulation of vital processes of a bacterial cell; however, most phosphoproteomics studies in bacteria were so far qualitative. Here we applied stable isotope labeling by amino acids in cell culture (SILAC) to perform a quantitative analysis of proteome and phosphoproteome dynamics of Escherichia coli during five distinct phases of growth in the minimal medium. Combining two triple-SILAC experiments, we detected a total of 2118 proteins and quantified relative dynamics of 1984 proteins in all measured phases of growth, including 570 proteins associated with cell wall and membrane. In the phosphoproteomic experiment, we detected 150 Ser/Thr/Tyr phosphorylation events, of which 108 were localized to a specific amino acid residue and 76 were quantified in all phases of growth. Clustering analysis of SILAC ratios revealed distinct sets of coregulated proteins for each analyzed phase of growth and overrepresentation of membrane proteins in transition between exponential and stationary phases. The proteomics data indicated that proteins related to stress response typically associated with the stationary phase, including RpoS-dependent proteins, had increasing levels already during earlier phases of growth. Application of SILAC enabled us to measure median occupancies of phosphorylation sites, which were generally low (<12%). Interestingly, the phosphoproteome analysis showed a global increase of protein phosphorylation levels in the late stationary phase, pointing to a likely role of this modification in later phases of growth.

A laboratory investigation of mixing dynamics between biofuels and surface waters

NASA Astrophysics Data System (ADS)

Wang, Xiaoxiang; Cotel, Aline

2017-11-01

Recently, production and usage of ethanol-blend fuels or biofuels have increased dramatically along with increasing risk of spilling into surface waters. Lack of understanding of the environmental impacts and absence of standard clean-up procedures make it crucial to study the mixing behavior between biofuels and water. Biofuels are represented by a solution of ethanol and glycol. A Plexiglas tank in conjunction with a wave generator is used to simulate the mixing of surface waters and biofuels under different natural conditions. In our previous experiments, two distinct mixing regimes were observed. One regime was driven by turbulence and the other by interfacial instabilities. However, under more realistic situations, without wind driven waves, only the first mixing regime was found. After one minute of rapid turbulent mixing, biofuels and water were fully mixed and no interface was formed. During the mixing process, chemical reactions happened simultaneously and influenced mixing dynamics. Current experiments are investigating the effect of waves on the mixing dynamics. Support from NSF CBET 1335878.

Propagation of monochromatic light in a hot and dense medium

NASA Astrophysics Data System (ADS)

Masood, Samina S.

2017-12-01

Photons, as quanta of electromagnetic fields, determine the electromagnetic properties of an extremely hot and dense medium. Considering the properties of the photons in the interacting medium of charged particles, we explicitly calculate the electromagnetic properties such as the electric permittivity, magnetic permeability, refractive index and the propagation speed of electromagnetic signals in an extremely hot and dense background. Photons acquire a dynamically generated mass in such a medium. The screening mass of the photon, the Debye shielding length and the plasma frequency are calculated as functions of the statistical parameters of the medium. We study the properties of the propagating particles in astrophysical systems of distinct statistical conditions. The modifications in the properties of the medium lead to the equation of state of the system. We mainly calculate all these parameters for extremely high temperatures of the early universe.

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).

A computer solution for the dynamic load, lubricant film thickness, and surface temperatures in spiral-bevel gears

NASA Technical Reports Server (NTRS)

Chao, H. C.; Baxter, M.; Cheng, H. S.

1983-01-01

A computer method for determining the dynamic load between spiral bevel pinion and gear teeth contact along the path of contact is described. The dynamic load analysis governs both the surface temperature and film thickness. Computer methods for determining the surface temperature, and film thickness are presented along with results obtained for a pair of typical spiral bevel gears.

Influence of the medium's dimensionality on defect-mediated turbulence.

PubMed

St-Yves, Ghislain; Davidsen, Jörn

2015-03-01

Spatiotemporal chaos in oscillatory and excitable media is often characterized by the presence of phase singularities called defects. Understanding such defect-mediated turbulence and its dependence on the dimensionality of a given system is an important challenge in nonlinear dynamics. This is especially true in the context of ventricular fibrillation in the heart, where the importance of the thickness of the ventricular wall is contentious. Here, we study defect-mediated turbulence arising in two different regimes in a conceptual model of excitable media and investigate how the statistical character of the turbulence changes if the thickness of the medium is changed from (quasi-) two- dimensional to three dimensional. We find that the thickness of the medium does not have a significant influence in, far from onset, fully developed turbulence while there is a clear transition if the system is close to a spiral instability. We provide clear evidence that the observed transition and change in the mechanism that drives the turbulent behavior is purely a consequence of the dimensionality of the medium. Using filament tracking, we further show that the statistical properties in the three-dimensional medium are different from those in turbulent regimes arising from filament instabilities like the negative line tension instability. Simulations also show that the presence of this unique three-dimensional turbulent dynamics is not model specific.

H(D) → D(H) + Cu(111) collision system: Molecular dynamics study of surface temperature effects

PubMed Central

Vurdu, Can D.; Güvenç, Ziya B.

2011-01-01

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London–Eyring–Polanyi–Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared

H(D) → D(H) + Cu(111) collision system: molecular dynamics study of surface temperature effects.

PubMed

Vurdu, Can D; Güvenç, Ziya B

2011-04-28

All the channels of the reaction dynamics of gas-phase H (or D) atoms with D (or H) atoms adsorbed onto a Cu(111) surface have been studied by quasiclassical constant energy molecular dynamics simulations. The surface is flexible and is prepared at different temperature values, such as 30 K, 94 K, and 160 K. The adsorbates were distributed randomly on the surface to create 0.18 ML, 0.28 ML, and 0.50 ML of coverages. The multi-layer slab is mimicked by a many-body embedded-atom potential energy function. The slab atoms can move according to the exerted external forces. Treating the slab atoms non-rigid has an important effect on the dynamics of the projectile atom and adsorbates. Significant energy transfer from the projectile atom to the surface lattice atoms takes place especially during the first impact that modifies significantly the details of the dynamics of the collisions. Effects of the different temperatures of the slab are investigated in this study. Interaction between the surface atoms and the adsorbates is modeled by a modified London-Eyring-Polanyi-Sato (LEPS) function. The LEPS parameters are determined by using the total energy values which were calculated by a density functional theory and a generalized gradient approximation for an exchange-correlation energy for many different orientations, and locations of one- and two-hydrogen atoms on the Cu(111) surface. The rms value of the fitting procedure is about 0.16 eV. Many different channels of the processes on the surface have been examined, such as inelastic reflection of the incident hydrogen, subsurface penetration of the incident projectile and adsorbates, sticking of the incident atom on the surface. In addition, hot-atom and Eley-Rideal direct processes are investigated. The hot-atom process is found to be more significant than the Eley-Rideal process. Furthermore, the rate of subsurface penetration is larger than the sticking rate on the surface. In addition, these results are compared and

Medium-range fire weather forecasts

Treesearch

J.O. Roads; K. Ueyoshi; S.C. Chen; J. Alpert; F. Fujioka

1991-01-01

The forecast skill of theNational Meteorological Center's medium range forecast (MRF) numerical forecasts of fire weather variables is assessed for the period June 1,1988 to May 31,1990. Near-surface virtual temperature, relative humidity, wind speed and a derived fire weather index (FWI) are forecast well by the MRF model. However, forecast relative humidity has...

Interferometer for measuring the dynamic surface topography of a human tear film

NASA Astrophysics Data System (ADS)

Primeau, Brian C.; Greivenkamp, John E.

2012-03-01

The anterior refracting surface of the eye is the thin tear film that forms on the surface of the cornea. Following a blink, the tear film quickly smoothes and starts to become irregular after 10 seconds. This irregularity can affect comfort and vision quality. An in vivo method of characterizing dynamic tear films has been designed based upon a near-infrared phase-shifting interferometer. This interferometer continuously measures light reflected from the tear film, allowing sub-micron analysis of the dynamic surface topography. Movies showing the tear film behavior can be generated along with quantitative metrics describing changes in the tear film surface. This tear film measurement allows analysis beyond capabilities of typical fluorescein visual inspection or corneal topography and provides better sensitivity and resolution than shearing interferometry methods. The interferometer design is capable of identifying features in the tear film much less than a micron in height with a spatial resolution of about ten microns over a 6 mm diameter. This paper presents the design of the tear film interferometer along with the considerations that must be taken when designing an interferometer for on-eye diagnostics. Discussions include eye movement, design of null optics for a range of ocular geometries, and laser emission limits for on-eye interferometry.

Molecular dynamics simulations and photoluminescence measurements of annealed ZnO surfaces

NASA Astrophysics Data System (ADS)

Min, Tjun Kit; Yoon, Tiem Leong; Ling, Chuo Ann; Mahmud, Shahrom; Lim, Thong Leng; Saw, Kim Guan

2017-06-01

The effect of thermal annealing on wurtzite ZnO, terminated by two surfaces, (000 1 bar) (which is oxygen-terminated) and (0 0 0 1) (which is Zn-terminated), is investigated via molecular dynamics simulation using reactive force field (ReaxFF). As a result of annealing at a threshold temperature range of 700 K surface oxygen atoms begin to sublimate from the (000 1 bar) surface, while no atom leaves the (0 0 0 1) surface. The ratio of oxygen leaving the surface increases with temperature T (for T ≥Tt). The relative luminescence intensity of the secondary peak in the photoluminescence (PL) spectra, interpreted as a measurement of amount of vacancies on the sample surfaces, qualitatively agrees with the threshold behavior as found in the MD simulations. Our simulations have also revealed the formation of oxygen dimers on the surface and evolution of partial charge distribution during the annealing process. Our MD simulation based on the ReaxFF is consistent with experimental observations.