Contrastive and Innovative Uses of the Present Perfect and the Preterite in Spanish in Contact with Quechua.

ERIC Educational Resources Information Center

Escobar, Anna Maria

1997-01-01

Argues that where Spanish is in contact with Quechua, the Spanish present perfect, preterite, and pluperfect are in contrast on the basis of a spatio-temporal parameter derived from the notion of present relevance. These innovative uses come from interaction between semantic systems of Quechua and Spanish and are consistent with universals of the…

Nano-Wilhelmy investigation of dynamic wetting properties of AFM tips through tip-nanobubble interaction

PubMed Central

Wang, Yuliang; Wang, Huimin; Bi, Shusheng; Guo, Bin

2016-01-01

The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working principle of the proposed method and mathematic models for dynamic contact angle measurement are presented. Geometric models of AFM tips were constructed using scanning electronic microscopy (SEM) images taken from different view directions. The detailed process of tip-nanobubble interaction was investigated using force-distance curves of AFM on nanobubbles. Several parameters including nanobubble height, adhesion and capillary force between tip and nanobubbles are extracted. The variation of these parameters was studied over nanobubble surfaces. The dynamic contact angles of the AFM tips were calculated from the capillary force measurements. The proposed method provides direct measurement of dynamic contact angles for AFM tips and can also be taken as a general approach for nanoscale dynamic wetting property investigation. PMID:27452115

Nano-Wilhelmy investigation of dynamic wetting properties of AFM tips through tip-nanobubble interaction

NASA Astrophysics Data System (ADS)

Wang, Yuliang; Wang, Huimin; Bi, Shusheng; Guo, Bin

2016-07-01

The dynamic wetting properties of atomic force microscopy (AFM) tips are of much concern in many AFM-related measurement, fabrication, and manipulation applications. In this study, the wetting properties of silicon and silicon nitride AFM tips are investigated through dynamic contact angle measurement using a nano-Wilhelmy balance based method. This is done by capillary force measurement during extension and retraction motion of AFM tips relative to interfacial nanobubbles. The working principle of the proposed method and mathematic models for dynamic contact angle measurement are presented. Geometric models of AFM tips were constructed using scanning electronic microscopy (SEM) images taken from different view directions. The detailed process of tip-nanobubble interaction was investigated using force-distance curves of AFM on nanobubbles. Several parameters including nanobubble height, adhesion and capillary force between tip and nanobubbles are extracted. The variation of these parameters was studied over nanobubble surfaces. The dynamic contact angles of the AFM tips were calculated from the capillary force measurements. The proposed method provides direct measurement of dynamic contact angles for AFM tips and can also be taken as a general approach for nanoscale dynamic wetting property investigation.

Effect of Tabor parameter on hysteresis losses during adhesive contact

NASA Astrophysics Data System (ADS)

Ciavarella, M.; Greenwood, J. A.; Barber, J. R.

2017-01-01

The Tabor parameter μ is conventionally assumed to determine the range of applicability of the classical 'JKR' solution for adhesive elastic contact of a sphere and a plane, with the variation of the contact area and approach with load, and in particular the maximum tensile force (the pull-off force) being well predicted for μ > 5 . Here we show that the hysteretic energy loss during a contact separation cycle is significantly overestimated by the JKR theory, even at quite large values of μ. This stems from the absence of long-range tensile forces in the JKR theory, which implies that jump into contact is delayed until the separation α = 0 . We develop an approximate solution based on the use of Wu's solution with van der Waals interactions for jump-in, and the JKR theory for jump out of contact, and show that for μ > 5 , the predicted hysteresis loss is then close to that found by direct numerical solutions using the Lennard-Jones force law. We also show how the same method can be adapted to allow for contact between bodies with finite support stiffness.

Effects of phenotypic plasticity on pathogen transmission in the field in a Lepidoptera-NPV system.

PubMed

Reeson, A F; Wilson, K; Cory, J S; Hankard, P; Weeks, J M; Goulson, D; Hails, R S

2000-08-01

In models of insect-pathogen interactions, the transmission parameter (ν) is the term that describes the efficiency with which pathogens are transmitted between hosts. There are two components to the transmission parameter, namely the rate at which the host encounters pathogens (contact rate) and the rate at which contact between host and pathogen results in infection (host susceptibility). Here it is shown that in larvae of Spodoptera exempta (Lepidoptera: Noctuidae), in which rearing density triggers the expression of one of two alternative phenotypes, the high-density morph is associated with an increase in larval activity. This response is likely to result in an increase in the contact rate between hosts and pathogens. Rearing density is also known to affect susceptibility of S. exempta to pathogens, with the high-density morph showing increased resistance to a baculovirus. In order to determine whether density-dependent differences observed in the laboratory might affect transmission in the wild, a field trial was carried out to estimate the transmission parameter for S. exempta and its nuclear polyhedrosis virus (NPV). The transmission parameter was found to be significantly higher among larvae reared in isolation than among those reared in crowds. Models of insect-pathogen interactions, in which the transmission parameter is assumed to be constant, will therefore not fully describe the S. exempta-NPV system. The finding that crowding can influence transmission in this way has major implications for both the long-term population dynamics and the invasion dynamics of insect-pathogen systems.

Determination of material distribution in heading process of small bimetallic bar

NASA Astrophysics Data System (ADS)

Presz, Wojciech; Cacko, Robert

2018-05-01

The electrical connectors mostly have silver contacts joined by riveting. In order to reduce costs, the core of the contact rivet can be replaced with cheaper material, e.g. copper. There is a wide range of commercially available bimetallic (silver-copper) rivets on the market for the production of contacts. Following that, new conditions in the riveting process are created because the bi-metal object is riveted. In the analyzed example, it is a small size object, which can be placed on the border of microforming. Based on the FEM modeling of the load process of bimetallic rivets with different material distributions, the desired distribution was chosen and the choice was justified. Possible material distributions were parameterized with two parameters referring to desirable distribution characteristics. The parameter: Coefficient of Mutual Interactions of Plastic Deformations and the method of its determination have been proposed. The parameter is determined based of two-parameter stress-strain curves and is a function of these parameters and the range of equivalent strains occurring in the analyzed process. The proposed method was used for the upsetting process of the bimetallic head of the electrical contact. A nomogram was established to predict the distribution of materials in the head of the rivet and the appropriate selection of a pair of materials to achieve the desired distribution.

Free cooling phase-diagram of hard-spheres with short- and long-range interactions

NASA Astrophysics Data System (ADS)

Gonzalez, S.; Thornton, A. R.; Luding, S.

2014-10-01

We study the stability, the clustering and the phase-diagram of free cooling granular gases. The systems consist of mono-disperse particles with additional non-contact (long-range) interactions, and are simulated here by the event-driven molecular dynamics algorithm with discrete (short-range shoulders or wells) potentials (in both 2D and 3D). Astonishingly good agreement is found with a mean field theory, where only the energy dissipation term is modified to account for both repulsive or attractive non-contact interactions. Attractive potentials enhance cooling and structure formation (clustering), whereas repulsive potentials reduce it, as intuition suggests. The system evolution is controlled by a single parameter: the non-contact potential strength scaled by the fluctuation kinetic energy (granular temperature). When this is small, as expected, the classical homogeneous cooling state is found. However, if the effective dissipation is strong enough, structure formation proceeds, before (in the repulsive case) non-contact forces get strong enough to undo the clustering (due to the ongoing dissipation of granular temperature). For both repulsive and attractive potentials, in the homogeneous regime, the cooling shows a universal behaviour when the (inverse) control parameter is used as evolution variable instead of time. The transition to a non-homogeneous regime, as predicted by stability analysis, is affected by both dissipation and potential strength. This can be cast into a phase diagram where the system changes with time, which leaves open many challenges for future research.

The influence of rail surface irregularities on contact forces and local stresses

NASA Astrophysics Data System (ADS)

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

2015-01-01

The effect of initial rail surface irregularities on promoting further surface degradation is investigated. The study concerns rolling contact fatigue formation, in particular in the form of the so-called squats. The impact of surface irregularities in the form of dimples is quantified by peak magnitudes of dynamic contact stresses and contact forces. To this end simulations of two-dimensional (later extended to three-dimensional) vertical dynamic vehicle-track interaction are employed. The most influencing parameters are identified. It is shown that even very shallow dimples might have a large impact on local contact stresses. Peak magnitudes of contact forces and stresses due to the influence of rail dimples are shown to exceed those due to rail corrugation.

Wettability of Complex Fluids and Surfactant Capped Nanoparticle-Induced Quasi-Universal Wetting Behavior.

PubMed

Harikrishnan, A R; Dhar, Purbarun; Agnihotri, Prabhat K; Gedupudi, Sateesh; Das, Sarit Kumar

2017-06-22

Even though there are quite large studies on wettability of aqueous surfactants and a few studies on effects of nanoparticles on wettability of colloids, to the best of authors' knowledge, there is no study reported on the combined effect of surfactant and nanoparticles in altering the wettability. The present study, for the first time, reports an extensive experimental and theoretical study on the combined effect of surfactants and nanoparticles on the wettability of complex fluids such as nanocolloids on different substrates, ranging from hydrophilic with a predominantly polar surface energy component (silicon wafer and glass) to near hydrophobic range with a predominantly dispersive component of surface energy (aluminum and copper substrates). Systematically planned experiments are carried out to segregate the contributing effects of surfactants, particles, and combined particle and surfactants in modulating the wettability. The mechanisms and the governing parameters behind the interactions of nanocolloids alone and of surfactant capped nanocolloids with different surfaces are found to be grossly different. The article, for the first time, also analyzes the interplay of the nature of surfaces, surfactant and particle concentrations on contact angle, and contact angle hysteresis (CAH) of particle and surfactant impregnated colloidal suspensions. In the case of nanoparticle suspensions, the contact angle is observed to decrease for the hydrophobic system and increase for the hydrophilic systems considered. On the contrary, the combined particle and surfactant colloidal system shows a quasi-unique wetting behavior of decreasing contact angle with particle concentration on all substrates. Also interestingly, the combined particle surfactant system at all particle concentrations shows a wetting angle much lower than that of the only-surfactant case at the same surfactant concentration. Such counterintuitive observations have been explained based on the near-surface interactivity of the particle, fluid, and surfactant molecules based on effective slip length considerations. The CAH analyses of colloidal suspensions at varying surfactant and particle concentrations reveal in-depth physical insight into contact line pinning, and a unique novel relationship is established between the contact angle and differential energy for distorting the instantaneous contact angle for a pinned sessile droplet. A detailed theoretical analysis of the governing parameters influencing the wettability has been presented invoking the principles of DLVO (Derjaguin-Landau-Verwey-Overbeek), surface energy and interaction parameters influencing at the molecular scale, and the theoretical framework is found to support the experimental observations.

Computational modelling of biomaterial surface interactions with blood platelets and osteoblastic cells for the prediction of contact osteogenesis.

PubMed

Amor, N; Geris, L; Vander Sloten, J; Van Oosterwyck, H

2011-02-01

Surface microroughness can induce contact osteogenesis (bone formation initiated at the implant surface) around oral implants, which may result from different mechanisms, such as blood platelet-biomaterial interactions and/or interaction with (pre-)osteoblast cells. We have developed a computational model of implant endosseous healing that takes into account these interactions. We hypothesized that the initial attachment and growth factor release from activated platelets is crucial in achieving contact osteogenesis. In order to investigate this, a computational model was applied to an animal experiment [7] that looked at the effect of surface microroughness on endosseous healing. Surface-specific model parameters were implemented based on in vitro data (Lincks et al. Biomaterials 1998;19:2219-32). The predicted spatio-temporal patterns of bone formation correlated with the histological data. It was found that contact osteogenesis could not be predicted if only the osteogenic response of cells was up-regulated by surface microroughness. This could only be achieved if platelet-biomaterial interactions were sufficiently up-regulated as well. These results confirmed our hypothesis and demonstrate the added value of the computational model to study the importance of surface-mediated events for peri-implant endosseous healing. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Adhesive contact between a rigid spherical indenter and an elastic multi-layer coated substrate

PubMed Central

Stan, Gheorghe; Adams, George G.

2016-01-01

In this work the frictionless, adhesive contact between a rigid spherical indenter and an elastic multi-layer coated half-space was investigated by means of an integral transform formulation. The indented multi-layer coats were considered as made of isotropic layers that are perfectly bonded to each other and to an isotropic substrate. The adhesive interaction between indenter and contacting surface was treated as Maugis-type adhesion to provide general applicability within the entire range of adhesive interactions. By using a transfer matrix method, the stress-strain equations of the system were reduced to two coupled integral equations for the stress distribution under the indenter and the ratio between the adhesion radius and the contact radius, respectively. These resulting integral equations were solved through a numerical collocation technique, with solutions for the load dependencies of the contact radius and indentation depth for various values of the adhesion parameter and layer composition. The method developed here can be used to calculate the force-distance response of adhesive contacts on various inhomogeneous half-spaces that can be modeled as multi-layer coated half-spaces. PMID:27574338

Thigh-calf contact parameters for six high knee flexion postures: Onset, maximum angle, total force, contact area, and center of force.

PubMed

Kingston, David C; Acker, Stacey M

2018-01-23

In high knee flexion, contact between the posterior thigh and calf is expected to decrease forces on tibiofemoral contact surfaces, therefore, thigh-calf contact needs to be thoroughly characterized to model its effect. This study measured knee angles and intersegmental contact parameters in fifty-eight young healthy participants for six common high flexion postures using motion tracking and a pressure sensor attached to the right thigh. Additionally, we introduced and assessed the reliability of a method for reducing noise in pressure sensor output. Five repetitions of two squatting, two kneeling, and two unilateral kneeling movements were completed. Interactions of posture by sex occurred for thigh-calf and heel-gluteal center of force, and thigh-calf contact area. Center of force in thigh-calf regions was farther from the knee joint center in females, compared to males, during unilateral kneeling (82 and 67 mm respectively) with an inverted relationship in the heel-gluteal region (331 and 345 mm respectively), although caution is advised when generalizing these findings from a young, relatively fit sample to a population level. Contact area was larger in females when compared to males (mean of 155.61 and 137.33 cm 2 across postures). A posture main effect was observed in contact force and sex main effects were present in onset and max angle. Males had earlier onset (121.0°) and lower max angle (147.4°) with onset and max angles having a range between movements of 8° and 3° respectively. There was a substantial total force difference of 139 N between the largest and smallest activity means. Force parameters measured in this study suggest that knee joint contact models need to incorporate activity-specific parameters when estimating loading. Copyright © 2017 Elsevier Ltd. All rights reserved.

On the modified Tabor parameter for the JKR-DMT transition in the presence of a liquid meniscus.

PubMed

Xu, Dewei; Liechti, Kenneth M; Ravi-Chandar, K

2007-11-15

The JKR, DMT, Maugis models and Tabor parameter for contact under normal loading have been developed based mainly on solid-solid (van der Waals) interactions. In this case, the characteristic length scale for the adhesive forces in the Tabor parameter is the equilibrium interatomic spacing. However, for contact in humid environments, where a liquid meniscus may be present, capillary forces with a longer force range related to the Kelvin radius dominate. Fogden and White [J. Colloid Interface Sci. 138 (1990) 414] introduced a parameter that includes the Kelvin radius for the JKR-DMT transition. This topic was also addressed by Maugis and Gauthier-Manuel [J. Adhes. Sci. Technol. 8 (1994) 1311] who included capillary effects within the frame work that Maugis had previously established. The parameters introduced by Fogden and White and Maugis and Gauthier-Manuel can be viewed as a modified Tabor parameter for the JKR-DMT transition. In the present work, the Kelvin equation linking the Kelvin radius and the relative humidity was explicitly included in the modified Tabor parameter. This provided a quantitative description of the JKR-DMT transition in terms of the relative humidity. This parameter was examined via load and contact radius measurements, where the latter were obtained from Bowden and Tabor's assumption that the friction force f=tauA. The friction experiments were conducted at two different humidity levels using a newly-developed mesoscale friction tester (MFT), which provides a very wide range of contact radii. The modified Tabor parameter was used to reexamine data from pull-off experiments in water and cyclohexane vapor environments [L.R. Fisher, J.N. Israelachvili, Colloids Surf. 3 (1981) 303 and H.K. Christenson, J. Colloid Interface Sci. 121 (1988) 170]. Finally, guidelines are presented for the appropriate choice of contact mechanics models to be used in interpreting data from SFA and AFM experiments in humid environments.

Simulating Fiber Ordering and Aggregation In Shear Flow Using Dissipative Particle Dynamics

NASA Astrophysics Data System (ADS)

Stimatze, Justin T.

We have developed a mesoscale simulation of fiber aggregation in shear flow using LAMMPS and its implementation of dissipative particle dynamics. Understanding fiber aggregation in shear flow and flow-induced microstructural fiber networks is critical to our interest in high-performance composite materials. Dissipative particle dynamics enables the consideration of hydrodynamic interactions between fibers through the coarse-grained simulation of the matrix fluid. Correctly simulating hydrodynamic interactions and accounting for fluid forces on the microstructure is required to correctly model the shear-induced aggregation process. We are able to determine stresses, viscosity, and fiber forces while simulating the evolution of a model fiber system undergoing shear flow. Fiber-fiber contact interactions are approximated by combinations of common pairwise forces, allowing the exploration of interaction-influenced fiber behaviors such as aggregation and bundling. We are then able to quantify aggregate structure and effective volume fraction for a range of relevant system and fiber-fiber interaction parameters. Our simulations have demonstrated several aggregate types dependent on system parameters such as shear rate, short-range attractive forces, and a resistance to relative rotation while in contact. A resistance to relative rotation at fiber-fiber contact points has been found to strongly contribute to an increased angle between neighboring aggregated fibers and therefore an increase in average aggregate volume fraction. This increase in aggregate volume fraction is strongly correlated with a significant enhancement of system viscosity, leading us to hypothesize that controlling the resistance to relative rotation during manufacturing processes is important when optimizing for desired composite material characteristics.

Hexagonal boron nitride and water interaction parameters

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

Wu, Yanbin; Aluru, Narayana R., E-mail: aluru@illinois.edu; Wagner, Lucas K.

2016-04-28

The study of hexagonal boron nitride (hBN) in microfluidic and nanofluidic applications at the atomic level requires accurate force field parameters to describe the water-hBN interaction. In this work, we begin with benchmark quality first principles quantum Monte Carlo calculations on the interaction energy between water and hBN, which are used to validate random phase approximation (RPA) calculations. We then proceed with RPA to derive force field parameters, which are used to simulate water contact angle on bulk hBN, attaining a value within the experimental uncertainties. This paper demonstrates that end-to-end multiscale modeling, starting at detailed many-body quantum mechanics andmore » ending with macroscopic properties, with the approximations controlled along the way, is feasible for these systems.« less

Search for an Annual Modulation in a p-Type Point Contact Germanium Dark Matter Detector

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

Aalseth, Craig E.; Barbeau, Phil; Colaresi, J.

2011-09-01

Fifteen months of cumulative CoGeNT data are examined for indications of an annual modulation, a predicted signature of Weakly Interacting Massive Particle (WIMP) interactions. Presently available data support the presence of a modulated component of unknown origin, with parameters prima facie compatible with a galactic halo composed of light-mass WIMPs.

The shadow map: a general contact definition for capturing the dynamics of biomolecular folding and function.

PubMed

Noel, Jeffrey K; Whitford, Paul C; Onuchic, José N

2012-07-26

Structure-based models (SBMs) are simplified models of the biomolecular dynamics that arise from funneled energy landscapes. We recently introduced an all-atom SBM that explicitly represents the atomic geometry of a biomolecule. While this initial study showed the robustness of the all-atom SBM Hamiltonian to changes in many of the energetic parameters, an important aspect, which has not been explored previously, is the definition of native interactions. In this study, we propose a general definition for generating atomically grained contact maps called "Shadow". The Shadow algorithm initially considers all atoms within a cutoff distance and then, controlled by a screening parameter, discards the occluded contacts. We show that this choice of contact map is not only well behaved for protein folding, since it produces consistently cooperative folding behavior in SBMs but also desirable for exploring the dynamics of macromolecular assemblies since, it distributes energy similarly between RNAs and proteins despite their disparate internal packing. All-atom structure-based models employing Shadow contact maps provide a general framework for exploring the geometrical features of biomolecules, especially the connections between folding and function.

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

PubMed Central

2012-01-01

Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Results Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. Conclusions The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions. PMID:23151272

Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

PubMed

Khayet, Mohamed; Fernández, Victoria

2012-11-14

Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function.

PubMed

Lizunov, A Y; Gonchar, A L; Zaitseva, N I; Zosimov, V V

2015-10-26

We analyzed the frequency with which intraligand contacts occurred in a set of 1300 protein-ligand complexes [ Plewczynski et al. J. Comput. Chem. 2011 , 32 , 742 - 755 .]. Our analysis showed that flexible ligands often form intraligand hydrophobic contacts, while intraligand hydrogen bonds are rare. The test set was also thoroughly investigated and classified. We suggest a universal method for enhancement of a scoring function based on a potential of mean force (PMF-based score) by adding a term accounting for intraligand interactions. The method was implemented via in-house developed program, utilizing an Algo_score scoring function [ Ramensky et al. Proteins: Struct., Funct., Genet. 2007 , 69 , 349 - 357 .] based on the Tarasov-Muryshev PMF [ Muryshev et al. J. Comput.-Aided Mol. Des. 2003 , 17 , 597 - 605 .]. The enhancement of the scoring function was shown to significantly improve the docking and scoring quality for flexible ligands in the test set of 1300 protein-ligand complexes [ Plewczynski et al. J. Comput. Chem. 2011 , 32 , 742 - 755 .]. We then investigated the correlation of the docking results with two parameters of intraligand interactions estimation. These parameters are the weight of intraligand interactions and the minimum number of bonds between the ligand atoms required to take their interaction into account.

Search for contact interactions in μ⁺μ⁺ events in pp collisions at √s=7 TeV

DOE PAGES

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.; ...

2013-02-01

Results are reported from a search for the effects of contact interactions using events with a high-mass, oppositely charged muon pair. The events are collected in proton-proton collisions at s√=7 TeV using the Compact Muon Solenoid detector at the Large Hadron Collider. The data sample corresponds to an integrated luminosity of 5.3 fb⁻¹. The observed dimuon mass spectrum is consistent with that expected from the standard model. The data are interpreted in the context of a quark- and muon-compositeness model with a left-handed isoscalar current and an energy scale parameter Λ. The 95% confidence level lower limit on Λ ismore » 9.5 TeV under the assumption of destructive interference between the standard model and contact-interaction amplitudes. For constructive interference, the limit is 13.1 TeV. These limits are comparable to the most stringent ones reported to date.« less

Search for contact interactions in μ⁺μ⁺ events in pp collisions at √s=7 TeV

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

Chatrchyan, S.; Khachatryan, V.; Sirunyan, A. M.

Results are reported from a search for the effects of contact interactions using events with a high-mass, oppositely charged muon pair. The events are collected in proton-proton collisions at s√=7 TeV using the Compact Muon Solenoid detector at the Large Hadron Collider. The data sample corresponds to an integrated luminosity of 5.3 fb⁻¹. The observed dimuon mass spectrum is consistent with that expected from the standard model. The data are interpreted in the context of a quark- and muon-compositeness model with a left-handed isoscalar current and an energy scale parameter Λ. The 95% confidence level lower limit on Λ ismore » 9.5 TeV under the assumption of destructive interference between the standard model and contact-interaction amplitudes. For constructive interference, the limit is 13.1 TeV. These limits are comparable to the most stringent ones reported to date.« less

Physical modeling of Tibetan bowls

NASA Astrophysics Data System (ADS)

Antunes, Jose; Inacio, Octavio

2004-05-01

Tibetan bowls produce rich penetrating sounds, used in musical contexts and to induce a state of relaxation for meditation or therapy purposes. To understand the dynamics of these instruments under impact and rubbing excitation, we developed a simulation method based on the modal approach, following our previous papers on physical modeling of plucked/bowed strings and impacted/bowed bars. This technique is based on a compact representation of the system dynamics, in terms of the unconstrained bowl modes. Nonlinear contact/friction interaction forces, between the exciter (puja) and the bowl, are computed at each time step and projected on the bowl modal basis, followed by step integration of the modal equations. We explore the behavior of two different-sized bowls, for extensive ranges of excitation conditions (contact/friction parameters, normal force, and tangential puja velocity). Numerical results and experiments show that various self-excited motions may arise depending on the playing conditions and, mainly, on the contact/friction interaction parameters. Indeed, triggering of a given bowl modal frequency mainly depends on the puja material. Computed animations and experiments demonstrate that self-excited modes spin, following the puja motion. Accordingly, the sensed pressure field pulsates, with frequency controlled by the puja spinning velocity and the spatial pattern of the singing mode.

Impact of incomplete metal coverage on the electrical properties of metal-CNT contacts: A large-scale ab initio study

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

Fediai, Artem, E-mail: artem.fediai@nano.tu-dresden.de; Ryndyk, Dmitry A.; Center for Advancing Electronics Dresden, TU Dresden, 01062 Dresden

2016-09-05

Using a dedicated combination of the non-equilibrium Green function formalism and large-scale density functional theory calculations, we investigated how incomplete metal coverage influences two of the most important electrical properties of carbon nanotube (CNT)-based transistors: contact resistance and its scaling with contact length, and maximum current. These quantities have been derived from parameter-free simulations of atomic systems that are as close as possible to experimental geometries. Physical mechanisms that govern these dependences have been identified for various metals, representing different CNT-metal interaction strengths from chemisorption to physisorption. Our results pave the way for an application-oriented design of CNT-metal contacts.

Conditions where random phase approximation becomes exact in the high-density limit

NASA Astrophysics Data System (ADS)

Morawetz, Klaus; Ashokan, Vinod; Bala, Renu; Pathak, Kare Narain

2018-04-01

It is shown that, in d -dimensional systems, the vertex corrections beyond the random phase approximation (RPA) or G W approximation scales with the power d -β -α of the Fermi momentum if the relation between Fermi energy and Fermi momentum is ɛf˜pfβ and the interacting potential possesses a momentum power law of ˜p-α . The condition d -β -α <0 specifies systems where RPA is exact in the high-density limit. The one-dimensional structure factor is found to be the interaction-free one in the high-density limit for contact interaction. A cancellation of RPA and vertex corrections render this result valid up to second order in contact interaction. For finite-range potentials of cylindrical wires a large-scale cancellation appears and is found to be independent of the width parameter of the wire. The proposed high-density expansion agrees with the quantum Monte Carlo simulations.

Isogeometric frictionless contact analysis with the third medium method

NASA Astrophysics Data System (ADS)

Kruse, R.; Nguyen-Thanh, N.; Wriggers, P.; De Lorenzis, L.

2018-01-01

This paper presents an isogeometric formulation for frictionless contact between deformable bodies, based on the recently proposed concept of the third medium. This concept relies on continuum formulations not only for the contacting bodies but also for a fictitious intermediate medium in which the bodies can move and interact. Key to the formulation is a suitable definition of the constitutive behavior of the third medium. In this work, based on a number of numerical tests, the role of the material parameters of the third medium is systematically assessed. We also assess the rate of spatial convergence for higher-order discretizations, stemming from the regularization of the non-smooth contact problem inherent to the third medium approach. Finally, problems with self contact are considered and turn out to be an attractive application of the method.

Investigations on bending-torsional vibrations of rotor during rotor-stator rub using Lagrange multiplier method

NASA Astrophysics Data System (ADS)

Mokhtar, Md Asjad; Kamalakar Darpe, Ashish; Gupta, Kshitij

2017-08-01

The ever-increasing need of highly efficient rotating machinery causes reduction in the clearance between rotating and non-rotating parts and increase in the chances of interaction between these parts. The rotor-stator contact, known as rub, has always been recognized as one of the potential causes of rotor system malfunctions and a source of secondary failures. It is one of few causes that influence both lateral and torsional vibrations. In this paper, the rotor stator interaction phenomenon is investigated in the finite element framework using Lagrange multiplier based contact mechanics approach. The stator is modelled as a beam that can respond to axial penetration and lateral friction force during the contact with the rotor. It ensures dynamic stator contact boundary and more realistic contact conditions in contrast to most of the earlier approaches. The rotor bending-torsional mode coupling during contact is considered and the vibration response in bending and torsion are analysed. The effect of parameters such as clearance, friction coefficient and stator stiffness are studied at various operating speeds and it has been found that certain parameter values generate peculiar rub related features. Presence of sub-harmonics in the lateral vibration frequency spectra are prominently observed when the rotor operates near the integer multiple of its lateral critical speed. The spectrum cascade of torsional vibration shows the presence of bending critical speed along with the larger amplitudes of frequencies close to torsional natural frequency of the rotor. When m × 1/n X frequency component of rotational frequency comes closer to the torsional natural frequency, stronger torsional vibration amplitude is noticed in the spectrum cascade. The combined information from the stator vibration and rotor lateral-torsional vibration spectral features is proposed for robust rub identification.

Governing Influence of Thermodynamic and Chemical Equilibria on the Interfacial Properties in Complex Fluids.

PubMed

Harikrishnan, A R; Dhar, Purbarun; Gedupudi, Sateesh; Das, Sarit K

2018-04-12

We propose a comprehensive analysis and a quasi-analytical mathematical formalism to predict the surface tension and contact angles of complex surfactant-infused nanocolloids. The model rests on the foundations of the interaction potentials for the interfacial adsorption-desorption dynamics in complex multicomponent colloids. Surfactant-infused nanoparticle-laden interface problems are difficult to deal with because of the many-body interactions and interfaces involved at the meso-nanoscales. The model is based on the governing role of thermodynamic and chemical equilibrium parameters in modulating the interfacial energies. The influence of parameters such as the presence of surfactants, nanoparticles, and surfactant-capped nanoparticles on interfacial dynamics is revealed by the analysis. Solely based on the knowledge of interfacial properties of independent surfactant solutions and nanocolloids, the same can be deduced for complex surfactant-based nanocolloids through the proposed approach. The model accurately predicts the equilibrium surface tension and contact angle of complex nanocolloids available in the existing literature and present experimental findings.

Contact stiffness of regularly patterned multi-asperity interfaces

NASA Astrophysics Data System (ADS)

Li, Shen; Yao, Quanzhou; Li, Qunyang; Feng, Xi-Qiao; Gao, Huajian

2018-02-01

Contact stiffness is a fundamental mechanical index of solid surfaces and relevant to a wide range of applications. Although the correlation between contact stiffness, contact size and load has long been explored for single-asperity contacts, our understanding of the contact stiffness of rough interfaces is less clear. In this work, the contact stiffness of hexagonally patterned multi-asperity interfaces is studied using a discrete asperity model. We confirm that the elastic interaction among asperities is critical in determining the mechanical behavior of rough contact interfaces. More importantly, in contrast to the common wisdom that the interplay of asperities is solely dictated by the inter-asperity spacing, we show that the number of asperities in contact (or equivalently, the apparent size of contact) also plays an indispensable role. Based on the theoretical analysis, we propose a new parameter for gauging the closeness of asperities. Our theoretical model is validated by a set of experiments. To facilitate the application of the discrete asperity model, we present a general equation for contact stiffness estimation of regularly rough interfaces, which is further proved to be applicable for interfaces with single-scale random roughness.

Apparent-contact-angle model at partial wetting and evaporation: impact of surface forces.

PubMed

Janeček, V; Nikolayev, V S

2013-01-01

This theoretical and numerical study deals with evaporation of a fluid wedge in contact with its pure vapor. The model describes a regime where the continuous wetting film is absent and the actual line of the triple gas-liquid-solid contact appears. A constant temperature higher than the saturation temperature is imposed at the solid substrate. The fluid flow is solved in the lubrication approximation. The introduction of the surface forces in the case of the partial wetting is discussed. The apparent contact angle (the gas-liquid interface slope far from the contact line) is studied numerically as a function of the substrate superheating, contact line velocity, and parameters related to the solid-fluid interaction (Young and microscopic contact angles, Hamaker constant, etc.). The dependence of the apparent contact angle on the substrate temperature is in agreement with existing approaches. For water, the apparent contact angle may be 20° larger than the Young contact angle for 1 K superheating. The effect of the surface forces on the apparent contact angle is found to be weak.

Apparent-contact-angle model at partial wetting and evaporation: Impact of surface forces

NASA Astrophysics Data System (ADS)

Janeček, V.; Nikolayev, V. S.

2013-01-01

This theoretical and numerical study deals with evaporation of a fluid wedge in contact with its pure vapor. The model describes a regime where the continuous wetting film is absent and the actual line of the triple gas-liquid-solid contact appears. A constant temperature higher than the saturation temperature is imposed at the solid substrate. The fluid flow is solved in the lubrication approximation. The introduction of the surface forces in the case of the partial wetting is discussed. The apparent contact angle (the gas-liquid interface slope far from the contact line) is studied numerically as a function of the substrate superheating, contact line velocity, and parameters related to the solid-fluid interaction (Young and microscopic contact angles, Hamaker constant, etc.). The dependence of the apparent contact angle on the substrate temperature is in agreement with existing approaches. For water, the apparent contact angle may be 20∘ larger than the Young contact angle for 1 K superheating. The effect of the surface forces on the apparent contact angle is found to be weak.

Thermal contact through a two-temperature kinetic Ising chain

NASA Astrophysics Data System (ADS)

Bauer, M.; Cornu, F.

2018-05-01

We consider a model for thermal contact through a diathermal interface between two macroscopic bodies at different temperatures: an Ising spin chain with nearest neighbor interactions is endowed with a Glauber dynamics with different temperatures and kinetic parameters on alternating sites. The inhomogeneity of the kinetic parameter is a novelty with respect to the model of Racz and Zia (1994 Phys. Rev. E 49 139), and we exhibit its influence upon the stationary non equilibrium values of the two-spin correlations at any distance. By mapping to the dynamics of spin domain walls and using free fermion techniques, we determine the scaled generating function for the cumulants of the exchanged heat amounts per unit of time in the long time limit.

Recalibrating disease parameters for increasing realism in modeling epidemics in closed settings.

PubMed

Bioglio, Livio; Génois, Mathieu; Vestergaard, Christian L; Poletto, Chiara; Barrat, Alain; Colizza, Vittoria

2016-11-14

The homogeneous mixing assumption is widely adopted in epidemic modelling for its parsimony and represents the building block of more complex approaches, including very detailed agent-based models. The latter assume homogeneous mixing within schools, workplaces and households, mostly for the lack of detailed information on human contact behaviour within these settings. The recent data availability on high-resolution face-to-face interactions makes it now possible to assess the goodness of this simplified scheme in reproducing relevant aspects of the infection dynamics. We consider empirical contact networks gathered in different contexts, as well as synthetic data obtained through realistic models of contacts in structured populations. We perform stochastic spreading simulations on these contact networks and in populations of the same size under a homogeneous mixing hypothesis. We adjust the epidemiological parameters of the latter in order to fit the prevalence curve of the contact epidemic model. We quantify the agreement by comparing epidemic peak times, peak values, and epidemic sizes. Good approximations of the peak times and peak values are obtained with the homogeneous mixing approach, with a median relative difference smaller than 20 % in all cases investigated. Accuracy in reproducing the peak time depends on the setting under study, while for the peak value it is independent of the setting. Recalibration is found to be linear in the epidemic parameters used in the contact data simulations, showing changes across empirical settings but robustness across groups and population sizes. An adequate rescaling of the epidemiological parameters can yield a good agreement between the epidemic curves obtained with a real contact network and a homogeneous mixing approach in a population of the same size. The use of such recalibrated homogeneous mixing approximations would enhance the accuracy and realism of agent-based simulations and limit the intrinsic biases of the homogeneous mixing.

Large scale genomic reorganization of topological domains at the HoxD locus.

PubMed

Fabre, Pierre J; Leleu, Marion; Mormann, Benjamin H; Lopez-Delisle, Lucille; Noordermeer, Daan; Beccari, Leonardo; Duboule, Denis

2017-08-07

The transcriptional activation of HoxD genes during mammalian limb development involves dynamic interactions with two topologically associating domains (TADs) flanking the HoxD cluster. In particular, the activation of the most posterior HoxD genes in developing digits is controlled by regulatory elements located in the centromeric TAD (C-DOM) through long-range contacts. To assess the structure-function relationships underlying such interactions, we measured compaction levels and TAD discreteness using a combination of chromosome conformation capture (4C-seq) and DNA FISH. We assessed the robustness of the TAD architecture by using a series of genomic deletions and inversions that impact the integrity of this chromatin domain and that remodel long-range contacts. We report multi-partite associations between HoxD genes and up to three enhancers. We find that the loss of native chromatin topology leads to the remodeling of TAD structure following distinct parameters. Our results reveal that the recomposition of TAD architectures after large genomic re-arrangements is dependent on a boundary-selection mechanism in which CTCF mediates the gating of long-range contacts in combination with genomic distance and sequence specificity. Accordingly, the building of a recomposed TAD at this locus depends on distinct functional and constitutive parameters.

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

Estimation of the age-specific per-contact probability of Ebola virus transmission in Liberia using agent-based simulations

NASA Astrophysics Data System (ADS)

Siettos, Constantinos I.; Anastassopoulou, Cleo; Russo, Lucia; Grigoras, Christos; Mylonakis, Eleftherios

2016-06-01

Based on multiscale agent-based computations we estimated the per-contact probability of transmission by age of the Ebola virus disease (EVD) that swept through Liberia from May 2014 to March 2015. For the approximation of the epidemic dynamics we have developed a detailed agent-based model with small-world interactions between individuals categorized by age. For the estimation of the structure of the evolving contact network as well as the per-contact transmission probabilities by age group we exploited the so called Equation-Free framework. Model parameters were fitted to official case counts reported by the World Health Organization (WHO) as well as to recently published data of key epidemiological variables, such as the mean time to death, recovery and the case fatality rate.

Viral contacts confound studies of childhood leukemia and high-voltage transmission lines.

PubMed

Sahl, J D

1994-05-01

Studies of childhood leukemia have reported a link with residential proximity to electric utility facilities. This paper elaborates on the hypothesis that residential proximity to electric utility transmission-systems is a surrogate for viral contacts, a potential confounder in these studies. While the causal implications of increased viral contacts is not established, the assumption made here is that a significant component of childhood leukemia has an infectious etiology. Increased viral contacts can result from residential mobility, being first born, or use of community childcare facilities. Re-analysis of existing studies should look specifically for the interaction between childhood leukemia, markers for viral contacts (e.g., residential mobility, birth order, use of outside childcare facilities), and residential proximity to high-voltage transmission lines. New study designs should include parameters to test directly for a virus-related infectious model for childhood leukemia.

Short-stack modeling of degradation in solid oxide fuel cells. Part I. Contact degradation

NASA Astrophysics Data System (ADS)

Gazzarri, J. I.; Kesler, O.

As the first part of a two paper series, we present a two-dimensional impedance model of a working solid oxide fuel cell (SOFC) to study the effect of contact degradation on the impedance spectrum for the purpose of non-invasive diagnosis. The two dimensional modeled geometry includes the ribbed interconnect, and is adequate to represent co- and counter-flow configurations. Simulated degradation modes include: cathode delamination, interconnect oxidation, and interconnect-cathode detachment. The simulations show differences in the way each degradation mode impacts the impedance spectrum shape, suggesting that identification is possible. In Part II, we present a sensitivity analysis of the results to input parameter variability that reveals strengths and limitations of the method, as well as describing possible interactions between input parameters and concurrent degradation modes.

Search for an Annual Modulation in a p-Type Point Contact Germanium Dark Matter Detector

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

Barbeau, P.S.; Collar, J.I.; Fields, N.

2011-01-01

Fifteen months of cumulative CoGeNT data are examined for indications of an annual modulation, a predicted signature of weakly interacting massive particle (WIMP) interactions. Presently available data support the presence of a modulated component of unknown origin, with parameters prima facie compatible with a galactic halo composed of light-mass WIMPs. Unoptimized estimators yield a statistical significance for a modulation of {approx}2.8{sigma}, limited by the short exposure.

Search for an Annual Modulation in a p-Type Point Contact Germanium Dark Matter Detector

NASA Astrophysics Data System (ADS)

Aalseth, C. E.; Barbeau, P. S.; Colaresi, J.; Collar, J. I.; Diaz Leon, J.; Fast, J. E.; Fields, N.; Hossbach, T. W.; Keillor, M. E.; Kephart, J. D.; Knecht, A.; Marino, M. G.; Miley, H. S.; Miller, M. L.; Orrell, J. L.; Radford, D. C.; Wilkerson, J. F.; Yocum, K. M.

2011-09-01

Fifteen months of cumulative CoGeNT data are examined for indications of an annual modulation, a predicted signature of weakly interacting massive particle (WIMP) interactions. Presently available data support the presence of a modulated component of unknown origin, with parameters prima facie compatible with a galactic halo composed of light-mass WIMPs. Unoptimized estimators yield a statistical significance for a modulation of ˜2.8σ, limited by the short exposure.

Hyperfine structure of the MnH X 7Sigma + state: A large gas-to-matrix shift in the Fermi contact interaction

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1990-06-01

Sub-Doppler spectra of the A 7Π-X 7Σ+ (0,0) band of gas phase MnH near 5680 Å were recorded by intermodulated fluorescence spectroscopy. The spectra reveal hyperfine splittings arising from both the 55Mn and 1H nuclear spins. Internal hyperfine perturbations have been observed between the different spin components of the ground state at low N`. From a preliminary analysis of several rotational lines originating from the isolated and unperturbed F1(J`=3) spin component of the X 7Σ+(N`=0) level, the 55Mn Fermi contact interaction in the ground state has been measured as bF=Aiso =276(1) MHz. This value is 11% smaller than the value obtained by Weltner et al. from an electron-nuclear double resonance (ENDOR) study of MnH in an argon matrix at 4 K. This unprecedented gas-to-matrix shift in the Fermi contact parameter is discussed.

Effect of collector molecular structure on the wettability of gold for froth flotation

NASA Astrophysics Data System (ADS)

Moncayo-Riascos, Ivan; Hoyos, Bibian A.

2017-10-01

Molecular dynamics simulations were conducted to evaluate the alteration of the hydrophilic state of gold surfaces caused by the adsorption of collectors with different molecular structures, using the contact angle of water droplets as an evaluation parameter. Four collectors were evaluated: SDS (with twelve hydrogenated carbon atoms), PAX (with five hydrogenated carbon atoms), DTP (with two branched aliphatic chains) and MBT (with an aromatic ring). The contact angle was evaluated for coatings of a monolayer (ML) and for surface densities of 2.89 μmol/m2 for each collector. For a ML, the hydrophobic effect generated by the aromatic ring of the MBT collector is comparable with the effect of the non-polar short chain of the PAX collector. The increase in hydrophobicity for the gold surfaces achieved by collectors with aliphatic chains is because the water-collector interaction energy is significantly higher (repulsive) than the water-gold interactions (attractive). The lowest increase in hydrophobicity was achieved with the MBT collector, since the carbon-water interaction energy of the aromatic ring is stronger than the interaction with the carbon atoms in the aliphatic chains. The calculated contact angles of the water droplets deviated less than 4% with respect to the experimental values.

Direct detection signatures of self-interacting dark matter with a light mediator

DOE PAGES

Nobile, Eugenio Del; Kaplinghat, Manoj; Yu, Hai-Bo

2015-10-27

Self-interacting dark matter (SIDM) is a simple and well-motivated scenario that could explain long-standing puzzles in structure formation on small scales. If the required self-interaction arises through a light mediator (with mass ~ 10 MeV) in the dark sector, this new particle must be unstable to avoid overclosing the universe. The decay of the light mediator could happen due to a weak coupling of the hidden and visible sectors, providing new signatures for direct detection experiments. The SIDM nuclear recoil spectrum is more peaked towards low energies compared to the usual case of contact interactions, because the mediator mass ismore » comparable to the momentum transfer of nuclear recoils. We show that the SIDM signal could be distinguished from that of DM particles with contact interactions by considering the time-average energy spectrum in experiments employing different target materials, or the average and modulated spectra in a single experiment. Using current limits from LUX and SuperCDMS, we also derive strong bounds on the mixing parameter between hidden and visible sector.« less

Laser magnetic resonance in supersonic plasmas - The rotational spectrum of SH(+)

NASA Technical Reports Server (NTRS)

Hovde, David C.; Saykally, Richard J.

1987-01-01

The rotational spectrum of v = 0 and v = 1X3Sigma(-)SH(+) was measured by laser magnetic resonance. Rotationally cold (Tr = 30 K), vibrationally excited (Tv = 3000 K) ions were generated in a corona excited supersonic expansion. The use of this source to identify ion signals is described. Improved molecular parameters were obtained; term values are presented from which astrophysically important transitions may be calculated. Accurate hyperfine parameters for both vibrational levels were determined and the vibrational dependence of the Fermi contact interaction was resolved. The hyperfine parameters agree well with recent many-body perturbation theory calculations.

Modelling the evaporation of nanoparticle suspensions from heterogeneous surfaces

NASA Astrophysics Data System (ADS)

Chalmers, C.; Smith, R.; Archer, A. J.

2017-07-01

We present a Monte Carlo (MC) grid-based model for the drying of drops of a nanoparticle suspension upon a heterogeneous surface. The model consists of a generalised lattice-gas in which the interaction parameters in the Hamiltonian can be varied to model different properties of the materials involved. We show how to correctly choose the interactions, to minimise the effects of the underlying grid so that hemispherical droplets form. We also include the effects of surface roughness to examine the effects of contact-line pinning on the dynamics. When there is a ‘lid’ above the system, which prevents evaporation, equilibrium drops form on the surface, which we use to determine the contact angle and how it varies as the parameters of the model are changed. This enables us to relate the interaction parameters to the materials used in applications. The model has also been applied to drying on heterogeneous surfaces, in particular to the case where the suspension is deposited on a surface consisting of a pair of hydrophilic conducting metal surfaces that are either side of a band of hydrophobic insulating polymer. This situation occurs when using inkjet printing to manufacture electrical connections between the metallic parts of the surface. The process is not always without problems, since the liquid can dewet from the hydrophobic part of the surface, breaking the bridge before the drying process is complete. The MC model reproduces the observed dewetting, allowing the parameters to be varied so that the conditions for the best connection can be established. We show that if the hydrophobic portion of the surface is located at a step below the height of the neighbouring metal, the chance of dewetting of the liquid during the drying process is significantly reduced.

Optimization of mass spectrometry acquisition parameters for determination of polycarbonate additives, degradation products, and colorants migrating from food contact materials to chocolate.

PubMed

Bignardi, Chiara; Cavazza, Antonella; Laganà, Carmen; Salvadeo, Paola; Corradini, Claudio

2018-01-01

The interest towards "substances of emerging concerns" referred to objects intended to come into contact with food is recently growing. Such substances can be found in traces in simulants and in food products put in contact with plastic materials. In this context, it is important to set up analytical systems characterized by high sensitivity and to improve detection parameters to enhance signals. This work was aimed at optimizing a method based on UHPLC coupled to high resolution mass spectrometry to quantify the most common plastic additives, and able to detect the presence of polymers degradation products and coloring agents migrating from plastic re-usable containers. The optimization of mass spectrometric parameter settings for quantitative analysis of additives has been achieved by a chemometric approach, using a full factorial and d-optimal experimental designs, allowing to evaluate possible interactions between the investigated parameters. Results showed that the optimized method was characterized by improved features in terms of sensitivity respect to existing methods and was successfully applied to the analysis of a complex model food system such as chocolate put in contact with 14 polycarbonate tableware samples. A new procedure for sample pre-treatment was carried out and validated, showing high reliability. Results reported, for the first time, the presence of several molecules migrating to chocolate, in particular belonging to plastic additives, such Cyasorb UV5411, Tinuvin 234, Uvitex OB, and oligomers, whose amount was found to be correlated to age and degree of damage of the containers. Copyright © 2017 John Wiley & Sons, Ltd.

Prediction of elbow joint contact mechanics in the multibody framework.

PubMed

Rahman, Munsur; Cil, Akin; Stylianou, Antonis P

2016-03-01

Computational multibody musculoskeletal models of the elbow joint that are capable of simultaneous and accurate predictions of muscle and ligament forces, along with cartilage contact mechanics can be immensely useful in clinical practice. As a step towards producing a musculoskeletal model that includes the interaction between cartilage and muscle loading, the goal of this study was to develop subject-specific multibody models of the elbow joint with discretized humerus cartilage representation interacting with the radius and ulna cartilages through deformable contacts. The contact parameters for the compliant contact law were derived using simplified elastic foundation contact theory. The models were then validated by placing the model in a virtual mechanical tester for flexion-extension motion similar to a cadaver experiment, and the resulting kinematics were compared. Two cadaveric upper limbs were used in this study. The humeral heads were subjected to axial motion in a mechanical tester and the resulting kinematics from three bones were recorded for model validation. The maximum RMS error between the predicted and measured kinematics during the complete testing cycle was 2.7 mm medial-lateral translation and 9.7° varus-valgus rotation of radius relative to humerus (for elbow 2). After model validation, a lateral ulnar collateral ligament (LUCL) deficient condition was simulated and, contact pressures and kinematics were compared to the intact elbow model. A noticeable difference in kinematics, contact area, and contact pressure were observed for LUCL deficient condition. LUCL deficiency induced higher internal rotations for both the radius and ulna during flexion and an associated medial shift of the articular contact area. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Quantum state atomic force microscopy

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

Passian, Ali; Siopsis, George

New classical modalities of atomic force microscopy continue to emerge to achieve higher spatial, spectral, and temporal resolution for nanometrology of materials. Here, we introduce the concept of a quantum mechanical modality that capitalizes on squeezed states of probe displacement. We show that such squeezing is enabled nanomechanically when the probe enters the van der Waals regime of interaction with a sample. The effect is studied in the non-contact mode, where we consider the parameter domains characterizing the attractive regime of the probe-sample interaction force.

Quantum state atomic force microscopy

DOE PAGES

Passian, Ali; Siopsis, George

2017-04-10

New classical modalities of atomic force microscopy continue to emerge to achieve higher spatial, spectral, and temporal resolution for nanometrology of materials. Here, we introduce the concept of a quantum mechanical modality that capitalizes on squeezed states of probe displacement. We show that such squeezing is enabled nanomechanically when the probe enters the van der Waals regime of interaction with a sample. The effect is studied in the non-contact mode, where we consider the parameter domains characterizing the attractive regime of the probe-sample interaction force.

Molecular packing in virus crystals: geometry, chemistry, and biology.

PubMed

Natarajan, P; Johnson, J E

1998-01-01

An automated procedure was developed to determine the geometrical and chemical interactions of crystalline virus particles using the crystal parameters, particle position, orientation, and atomic coordinates for an icosahedral asymmetric unit. Two applications of the program are reported: (1) An analysis of a novel pseudo-rhombohedral (R32) symmetry present in the monoclinic crystal lattices of both Nodamura Virus (NOV) and Coxsackie virus B3 (CVB3). The study shows that in both cases the interactions between particles is substantially increased by minor deviations from exact R32 symmetry and that only particles with the proper ratio of dimensions along twofold and fivefold symmetry axes (such as southern bean mosaic virus) can achieve comparable buried surface area in the true R32 space group. (2) An attempt was made to correlate biological function with remarkably conserved interparticle contact regions found in different crystal forms of three members of the nodavirus family, NOV, Flock House Virus (FHV), and Black Beetle Virus (BBV). Mutational evidence implicates the quasi-threefold region on the viral surface in receptor binding in nodaviruses and this region is dominant in particle contacts in all three virus crystals. Examination of particle contacts in numerous crystal structures of viruses in the picornavirus super-family showed that portions of the capsid surface known to interact with a receptor or serve as an epitope for monoclonal antibodies frequently stabilize crystal contacts.

Nonlinear dynamics of contact interaction of a size-dependent plate supported by a size-dependent beam

NASA Astrophysics Data System (ADS)

Awrejcewicz, J.; Krysko, V. A.; Yakovleva, T. V.; Pavlov, S. P.; Krysko, V. A.

2018-05-01

A mathematical model of complex vibrations exhibited by contact dynamics of size-dependent beam-plate constructions was derived by taking the account of constraints between these structural members. The governing equations were yielded by variational principles based on the moment theory of elasticity. The centre of the investigated plate was supported by a beam. The plate and the beam satisfied the Kirchhoff/Euler-Bernoulli hypotheses. The derived partial differential equations (PDEs) were reduced to the Cauchy problems by the Faedo-Galerkin method in higher approximations, whereas the Cauchy problem was solved using a few Runge-Kutta methods. Reliability of results was validated by comparing the solutions obtained by qualitatively different methods. Complex vibrations were investigated with the help of methods of nonlinear dynamics such as vibration signals, phase portraits, Fourier power spectra, wavelet analysis, and estimation of the largest Lyapunov exponents based on the Rosenstein, Kantz, and Wolf methods. The effect of size-dependent parameters of the beam and plate on their contact interaction was investigated. It was detected and illustrated that the first contact between the size-dependent structural members implies chaotic vibrations. In addition, problems of chaotic synchronization between a nanoplate and a nanobeam were addressed.

Full three-dimensional investigation of structural contact interactions in turbomachines

NASA Astrophysics Data System (ADS)

Legrand, Mathias; Batailly, Alain; Magnain, Benoît; Cartraud, Patrice; Pierre, Christophe

2012-05-01

Minimizing the operating clearance between rotating bladed-disks and stationary surrounding casings is a primary concern in the design of modern turbomachines since it may advantageously affect their energy efficiency. This technical choice possibly leads to interactions between elastic structural components through direct unilateral contact and dry friction, events which are now accepted as normal operating conditions. Subsequent nonlinear dynamical behaviors of such systems are commonly investigated with simplified academic models mainly due to theoretical difficulties and numerical challenges involved in non-smooth large-scale realistic models. In this context, the present paper introduces an adaptation of a full three-dimensional contact strategy for the prediction of potentially damaging motions that would imply highly demanding computational efforts for the targeted aerospace application in an industrial context. It combines a smoothing procedure including bicubic B-spline patches together with a Lagrange multiplier based contact strategy within an explicit time-marching integration procedure preferred for its versatility. The proposed algorithm is first compared on a benchmark configuration against the more elaborated bi-potential formulation and the commercial software Ansys. The consistency of the provided results and the low energy fluctuations of the introduced approach underlines its reliable numerical properties. A case study featuring blade-tip/casing contact on industrial finite element models is then proposed: it incorporates component mode synthesis and the developed three-dimensional contact algorithm for investigating structural interactions occurring within a turbomachine compressor stage. Both time results and frequency-domain analysis emphasize the practical use of such a numerical tool: detection of severe operating conditions and critical rotational velocities, time-dependent maps of stresses acting within the structures, parameter studies and blade design tests.

Enhancing interacting residue prediction with integrated contact matrix prediction in protein-protein interaction.

PubMed

Du, Tianchuan; Liao, Li; Wu, Cathy H

2016-12-01

Identifying the residues in a protein that are involved in protein-protein interaction and identifying the contact matrix for a pair of interacting proteins are two computational tasks at different levels of an in-depth analysis of protein-protein interaction. Various methods for solving these two problems have been reported in the literature. However, the interacting residue prediction and contact matrix prediction were handled by and large independently in those existing methods, though intuitively good prediction of interacting residues will help with predicting the contact matrix. In this work, we developed a novel protein interacting residue prediction system, contact matrix-interaction profile hidden Markov model (CM-ipHMM), with the integration of contact matrix prediction and the ipHMM interaction residue prediction. We propose to leverage what is learned from the contact matrix prediction and utilize the predicted contact matrix as "feedback" to enhance the interaction residue prediction. The CM-ipHMM model showed significant improvement over the previous method that uses the ipHMM for predicting interaction residues only. It indicates that the downstream contact matrix prediction could help the interaction site prediction.

Preliminary screening oxidative degradation methyl orange using ozone/ persulfate

NASA Astrophysics Data System (ADS)

Aqilah Razali, Nur; Zulzikrami Azner Abidin, Che; An, Ong Soon; Ridwan, Fahmi Muhammad; Haqi Ibrahim, Abdul; Nasuha Sabri, Siti; Huan Kow, Su

2018-03-01

The present study focusing on the performances of advanced oxidation process by using ozonation method towards Methyl Orange based on the efficiency of colour removal and Chemical Oxygen Demand (COD) removal. Factorial design with response surface methodology (RSM) was used to evaluate the interaction between operational conditions, such as pH, initial concentration, contact time and persulfate dosage to obtain the optimum range conditions using a semi-batch reactor. The range of independent variables investigated were pH (3-11), initial concentration (100-500mg/L), contact time (10-50min) and persulfate dosage (20-100mM) while the response variables were colour removal and COD removal of Methyl Orange. The experimental results and statistical analysis showed all the parameters were significant. Thus, from this findings, optimization of operational conditions that had been suggested from the ozone/persulfate RSM analysis were (pH 3, 100 mg/L, 50min, 60mM) that would be produced 99% Colour Removal and 80% COD Removal and help in promoting an efficient ozonation process. The effect list data that showed the most contributed effects to increase the percentages of colour removal were pH and persulfate dosage whereas the contact time and initial concentration had the highest positive effects on the COD removal. Other than that, the interaction between pH, contact time and persulfate dosage were found to be the most influencing interaction. Therefore the least influencing interaction was interaction between persulfate dosage and pH. In this study, the correlation coefficient value R2 for colour removal and COD removal of Methyl Orange were R2= 0.9976 and R2= 0.9924 which suggested a good fit of the first-order regression model with the experimental data.

Semilocal momentum-space regularized chiral two-nucleon potentials up to fifth order

NASA Astrophysics Data System (ADS)

Reinert, P.; Krebs, H.; Epelbaum, E.

2018-05-01

We introduce new semilocal two-nucleon potentials up to fifth order in the chiral expansion. We employ a simple regularization approach for the pion exchange contributions which i) maintains the long-range part of the interaction, ii) is implemented in momentum space and iii) can be straightforwardly applied to regularize many-body forces and current operators. We discuss in detail the two-nucleon contact interactions at fourth order and demonstrate that three terms out of fifteen used in previous calculations can be eliminated via suitably chosen unitary transformations. The removal of the redundant contact terms results in a drastic simplification of the fits to scattering data and leads to interactions which are much softer ( i.e., more perturbative) than our recent semilocal coordinate-space regularized potentials. Using the pion-nucleon low-energy constants from matching pion-nucleon Roy-Steiner equations to chiral perturbation theory, we perform a comprehensive analysis of nucleon-nucleon scattering and the deuteron properties up to fifth chiral order and study the impact of the leading F-wave two-nucleon contact interactions which appear at sixth order. The resulting chiral potentials at fifth order lead to an outstanding description of the proton-proton and neutron-proton scattering data from the self-consistent Granada-2013 database below the pion production threshold, which is significantly better than for any other chiral potential. For the first time, the chiral potentials match in precision and even outperform the available high-precision phenomenological potentials, while the number of adjustable parameters is, at the same time, reduced by about ˜ 40%. Last but not least, we perform a detailed error analysis and, in particular, quantify for the first time the statistical uncertainties of the fourth- and the considered sixth-order contact interactions.

An updated version of NPIDB includes new classifications of DNA–protein complexes and their families

PubMed Central

Zanegina, Olga; Kirsanov, Dmitriy; Baulin, Eugene; Karyagina, Anna; Alexeevski, Andrei; Spirin, Sergey

2016-01-01

The recent upgrade of nucleic acid–protein interaction database (NPIDB, http://npidb.belozersky.msu.ru/) includes a newly elaborated classification of complexes of protein domains with double-stranded DNA and a classification of families of related complexes. Our classifications are based on contacting structural elements of both DNA: the major groove, the minor groove and the backbone; and protein: helices, beta-strands and unstructured segments. We took into account both hydrogen bonds and hydrophobic interaction. The analyzed material contains 1942 structures of protein domains from 748 PDB entries. We have identified 97 interaction modes of individual protein domain–DNA complexes and 17 DNA–protein interaction classes of protein domain families. We analyzed the sources of diversity of DNA–protein interaction modes in different complexes of one protein domain family. The observed interaction mode is sometimes influenced by artifacts of crystallization or diversity in secondary structure assignment. The interaction classes of domain families are more stable and thus possess more biological sense than a classification of single complexes. Integration of the classification into NPIDB allows the user to browse the database according to the interacting structural elements of DNA and protein molecules. For each family, we present average DNA shape parameters in contact zones with domains of the family. PMID:26656949

Dynamics of a pre-lens tear film after a blink: Model, evolution, and rupture

NASA Astrophysics Data System (ADS)

Usha, R.; Anjalaiah, Sanyasiraju, Y. V. S. S.

2013-11-01

A mathematical model is developed to investigate the dynamics and rupture of a pre-lens tear film on a contact lens. The contact lens is modeled as a saturated porous medium of constant, finite thickness and is described by the Darcy-Brinkman equations with stress-jump condition at the interface. The model incorporates the influence of capillarity, gravitational drainage, contact lens properties such as the permeability, the porosity, and the thickness of the contact lens on the evolution and rupture of a pre-lens tear film, when the eyelid has opened after a blink. Two models are derived for the evolution of a pre-lens tear film thickness using lubrication theory and are solved numerically; the first uses shear-free surface condition and the second, the tangentially immobile free surface condition. The results reveal that life span of a pre-lens tear film is longer on a thinner contact lens for all values of permeability and porosity parameter considered. An increase in permeability of contact lens, porosity or stress-jump parameter increases the rate of thinning of the film and advances the rupture time. The viscous-viscous interaction between the porous contact lens and the pre-lens tear film increases the resistance offered by the frictional forces to the rate of thinning of pre-lens tear film. This slows down the thinning process and hence delays the rupture of the film as compared to that predicted by the models of Nong and Anderson [SIAM. J. Appl. Math. 70, 2771-2795 (2010)] derived in the framework of Darcy model.

Directed self-assembly of diblock copolymers in cylindrical confinement: effect of underfilling and air-polymer interactions on configurations

NASA Astrophysics Data System (ADS)

Carpenter, Corinne L.; Delaney, Kris T.; Laachi, Nabil; Fredrickson, Glenn H.

2015-03-01

Directed self-assembly (DSA) of block copolymers has attracted attention for its use as a simple, cost- effective patterning tool for creating vertical interconnect access (VIA) channels in nanoelectronic devices.1, 2 This technique supplements existing lithographic technologies to allow for the creation of high-resolution cylindrical holes whose diameter and placement can be precisely controlled. In this study, we use self-consistent field theory (SCFT) simulations to investigate the equilibrium configurations of under-filled DSA systems with air-polymer interactions. We report on a series of SCFT simulations of our three species (PMMA-b-PS diblock and air) model in cylindrical confinement to explore the role of template diameter, under-fill fraction (i.e. volume fraction of air), air-polymer surface interaction and polymer-side wall/substrate interactions on equilibrium morphologies in an under-filled template with a free top surface. We identify parameters and system configurations where a meniscus appears and explore cases with PMMA-attractive, PS-attractive, and all-neutral walls to understand the effects of wall properties on meniscus geometry and DSA morphology. An important outcome is an understanding of the parameters that control the contact angle of the meniscus with the wall, as it is one of the simplest quantitative measures of the meniscus shape. Ultimately, we seek to identify DSA formulations, templates, and surface treatments with predictable central cylinder diameter and a shallow contact angle, as these factors would facilitate broad process windows and ease of manufacturing.

PRince: a web server for structural and physicochemical analysis of protein-RNA interface.

PubMed

Barik, Amita; Mishra, Abhishek; Bahadur, Ranjit Prasad

2012-07-01

We have developed a web server, PRince, which analyzes the structural features and physicochemical properties of the protein-RNA interface. Users need to submit a PDB file containing the atomic coordinates of both the protein and the RNA molecules in complex form (in '.pdb' format). They should also mention the chain identifiers of interacting protein and RNA molecules. The size of the protein-RNA interface is estimated by measuring the solvent accessible surface area buried in contact. For a given protein-RNA complex, PRince calculates structural, physicochemical and hydration properties of the interacting surfaces. All these parameters generated by the server are presented in a tabular format. The interacting surfaces can also be visualized with software plug-in like Jmol. In addition, the output files containing the list of the atomic coordinates of the interacting protein, RNA and interface water molecules can be downloaded. The parameters generated by PRince are novel, and users can correlate them with the experimentally determined biophysical and biochemical parameters for better understanding the specificity of the protein-RNA recognition process. This server will be continuously upgraded to include more parameters. PRince is publicly accessible and free for use. Available at http://www.facweb.iitkgp.ernet.in/~rbahadur/prince/home.html.

A model-adaptivity method for the solution of Lennard-Jones based adhesive contact problems

NASA Astrophysics Data System (ADS)

Ben Dhia, Hachmi; Du, Shuimiao

2018-05-01

The surface micro-interaction model of Lennard-Jones (LJ) is used for adhesive contact problems (ACP). To address theoretical and numerical pitfalls of this model, a sequence of partitions of contact models is adaptively constructed to both extend and approximate the LJ model. It is formed by a combination of the LJ model with a sequence of shifted-Signorini (or, alternatively, -Linearized-LJ) models, indexed by a shift parameter field. For each model of this sequence, a weak formulation of the associated local ACP is developed. To track critical localized adhesive areas, a two-step strategy is developed: firstly, a macroscopic frictionless (as first approach) linear-elastic contact problem is solved once to detect contact separation zones. Secondly, at each shift-adaptive iteration, a micro-macro ACP is re-formulated and solved within the multiscale Arlequin framework, with significant reduction of computational costs. Comparison of our results with available analytical and numerical solutions shows the effectiveness of our global strategy.

Numerical investigation of contact stresses for fretting fatigue damage initiation

NASA Astrophysics Data System (ADS)

Bhatti, N. A.; Abdel Wahab, M.

2017-05-01

Fretting fatigue phenomena occurs due to interaction between contacting bodies under application of cyclic and normal loads. In addition to environmental conditions and material properties, the response at the contact interface highly depends on the combination of applied loads. High stress concentration is present at the contact interface, which can start the damage nucleation process. At the culmination of nucleation process several micro cracks are initiated, ultimately leading to the structural failure. In this study, effect of ratio of tangential to normal load on contact stresses, slip amplitude and damage initiation is studied using finite element analysis. The results are evaluated for Ruiz parameter as it involves the slip amplitude which in an important factor in fretting fatigue conditions. It is observed that tangential to normal load ratio influences the stick zone size and damage initiation life. Furthermore, it is observed that tensile stress is the most important factor that drives the damage initiation to failure for the cases where failure occurs predominantly in mode I manner.

Foot-Ground Interaction during Upright Standing in Children with Down Syndrome

ERIC Educational Resources Information Center

Pau, Massimiliano; Galli, Manuela; Crivellini, Marcello; Albertini, Giorgio

2012-01-01

This study aimed to quantitatively characterize the main foot-ground contact parameters during static upright standing and to assess foot evolution with increasing age in young individuals affected by Down syndrome (DS). To this end, 99 children with DS of mean age 9.7 (1.7) were tested using a pressure sensitive mat, and the raw data were…

Multiscale contact mechanics model for RF-MEMS switches with quantified uncertainties

NASA Astrophysics Data System (ADS)

Kim, Hojin; Huda Shaik, Nurul; Xu, Xin; Raman, Arvind; Strachan, Alejandro

2013-12-01

We introduce a multiscale model for contact mechanics between rough surfaces and apply it to characterize the force-displacement relationship for a metal-dielectric contact relevant for radio frequency micro-electromechanicl system (MEMS) switches. We propose a mesoscale model to describe the history-dependent force-displacement relationships in terms of the surface roughness, the long-range attractive interaction between the two surfaces, and the repulsive interaction between contacting asperities (including elastic and plastic deformation). The inputs to this model are the experimentally determined surface topography and the Hamaker constant as well as the mechanical response of individual asperities obtained from density functional theory calculations and large-scale molecular dynamics simulations. The model captures non-trivial processes including the hysteresis during loading and unloading due to plastic deformation, yet it is computationally efficient enough to enable extensive uncertainty quantification and sensitivity analysis. We quantify how uncertainties and variability in the input parameters, both experimental and theoretical, affect the force-displacement curves during approach and retraction. In addition, a sensitivity analysis quantifies the relative importance of the various input quantities for the prediction of force-displacement during contact closing and opening. The resulting force-displacement curves with quantified uncertainties can be directly used in device-level simulations of micro-switches and enable the incorporation of atomic and mesoscale phenomena in predictive device-scale simulations.

A New Method for Determining Hamaker Constants of Solids Based on the Dynamic Approach Behavior of an Atomic Force Microscope

NASA Astrophysics Data System (ADS)

Fronczak, Sean G.

The Hamaker constant, A, is a quantitative measure of the fundamental attractive van der Waals (vdW) interaction for microscale and nanoscale materials. This parameter captures each material's compositional effects on the vdW force, which is often needed as input for predicting the vdW interactions between particles and surfaces. Experimental attempts to determine A using an atomic force microscope (AFM) are typically hindered by issues inherent to the cantilever-tip-surface contact regime, such as surface roughness and deformation, and contact separation distance. Thus, we developed a new method for estimating Hamaker constants from the non-contact approach regime of an AFM experiment (Fronczak et al., 2017, Langmuir 33, 714-725). This method invokes a quasi-dynamic description of the cantilever tip's approach to contact, in which the inertial effects of the tip motion are accounted for when analyzing the trajectory of the tip's approach towards the substrate. The method was tested experimentally using silica, alumina and polystyrene substrates, and was demonstrated to yield estimates of A for these materials that were in very good agreement with previously published Lifshitz calculations. As with various other approaches to determining A, our new method relies heavily on the accuracy of the geometric model used to predict the interaction between the AFM tip and the substrate. For the initial validation experiments of our new method, we therefore focused on describing the shape of the cantilever tip as closely as possible, utilizing a complex model of a truncated pyramid with a spherical cap. Although this pyramidal geometry can be confirmed and the dimensions estimated via scanning electron microscopy (SEM), even high-resolution SEM images of the tip cannot provide sufficient detail to allow precise enough determination of the tip's geometric parameters. Consequently, we also propose an adaptation of the method, in which these difficult to quantify geometric effects are still fully captured via the convenient description of the tip as an 'effective' perfect sphere. Hence, the geometric complexity of the cantilever tip is no longer explicitly required for the determination of A. First, a tip is 'calibrated', whereby the deflection at first contact between the cantilever tip and a smooth surface of known vdW properties is determined and an effective radius, Reff, of the tip is calculated. The tip's approach to contact toward other similarly smooth surfaces can then be well-described by using only this single geometric parameter. We demonstrate the practicality and accuracy of this updated method by comparing the results with both the original pyramid model and Lifshitz approximations (when available) for flat substrates composed of silica, polystyrene, highly ordered pyrolytic graphite (HOPG), sapphire (alpha-Al3O2), Plexiglas (PMMA), and acrylonitrile butadiene styrene (ABS). Then, the modified quasi-dynamic model was employed to study the strength of the adhesive interaction between TNT and several swab materials which are used as explosive detection devices at security checkpoints. This information is crucial for the development and improvement of next-generation swab detection protocols to further advance this field. Finally, we also include the effects of thermal noise into our quasi-dynamic description of the cantilever motion to better understand how such noise might influence the accuracy of our method. We likewise determine, for the first time, the effects of instrument noise on the accuracy of other approach-to-contact methodologies for determining A.

The Dynamics of Oblate Drop Between Heterogeneous Plates Under Alternating Electric Field. Non-uniform Field

NASA Astrophysics Data System (ADS)

Kashina, M. A.; Alabuzhev, A. A.

2018-02-01

The dynamics of the incompressible fluid drop under the non-uniform electric field are considered. The drop is bounded axially by two parallel solid planes and the case of heterogeneous plates is investigated. The external electric field acts as an external force that causes motion of the contact line. We assume that the electric current is alternative current and the AC filed amplitude is a spatially non-uniform function. In equilibrium, the drop has the form of a circular cylinder. The equilibrium contact angle is 0.5 π. In order to describe this contact line motion the modified Hocking boundary condition is applied: the velocity of the contact line is proportional to the deviation of the contact angle and the speed of the fast relaxation processes, which frequency is proportional to twice the frequency of the electric field. The Hocking parameter depends on the polar angle, i.e. the coefficient of the interaction between the plate and the fluid (the contact line) is a function of the plane coordinates. This function is expanded in a series of the Laplace operator eigenfunctions.

Binary stellar winds. [flow and magnetic field interactions

NASA Technical Reports Server (NTRS)

Siscoe, G. L.; Heinemann, M. A.

1974-01-01

Stellar winds from a binary star will interact with each other along a contact discontinuity. We discuss qualitatively the geometry of the flow and field resulting from this interaction in the simplest case where the stars and winds are identical. We consider the shape of the critical surface (defined as the surface where the flow speed is equal to the sound speed) as a function of stellar separation and the role of shock waves in the flow field. The effect of stellar spin and magnetic sectors on the field configuration is given. The relative roles of mass loss and magnetic torque in the evolution of orbital parameters are discussed.

Conductance in inhomogeneous quantum wires: Luttinger liquid predictions and quantum Monte Carlo results

NASA Astrophysics Data System (ADS)

Morath, D.; Sedlmayr, N.; Sirker, J.; Eggert, S.

2016-09-01

We study electron and spin transport in interacting quantum wires contacted by noninteracting leads. We theoretically model the wire and junctions as an inhomogeneous chain where the parameters at the junction change on the scale of the lattice spacing. We study such systems analytically in the appropriate limits based on Luttinger liquid theory and compare the results to quantum Monte Carlo calculations of the conductances and local densities near the junction. We first consider an inhomogeneous spinless fermion model with a nearest-neighbor interaction and then generalize our results to a spinful model with an on-site Hubbard interaction.

On the physically based modeling of surface tension and moving contact lines with dynamic contact angles on the continuum scale

NASA Astrophysics Data System (ADS)

Huber, M.; Keller, F.; Säckel, W.; Hirschler, M.; Kunz, P.; Hassanizadeh, S. M.; Nieken, U.

2016-04-01

The description of wetting phenomena is a challenging problem on every considerable length-scale. The behavior of interfaces and contact lines on the continuum scale is caused by intermolecular interactions like the Van der Waals forces. Therefore, to describe surface tension and the resulting dynamics of interfaces and contact lines on the continuum scale, appropriate formulations must be developed. While the Continuum Surface Force (CSF) model is well-engineered for the description of interfaces, there is still a lack of treatment of contact lines, which are defined by the intersection of an ending fluid interface and a solid boundary surface. In our approach we use a balance equation for the contact line and extend the Navier-Stokes equations in analogy to the extension of a two-phase interface in the CSF model. Since this model depicts a physically motivated approach on the continuum scale, no fitting parameters are introduced and the deterministic description leads to a dynamical evolution of the system. As verification of our theory, we show a Smoothed Particle Hydrodynamics (SPH) model and simulate the evolution of droplet shapes and their corresponding contact angles.

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

NASA Astrophysics Data System (ADS)

Velásquez-Rojas, Fátima; Vazquez, Federico

2017-05-01

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

The roles of contact conformity, temperature and displacement amplitude on the lubricated fretting wear of a steel-on-steel contact

PubMed Central

Warmuth, A. R.; Sun, W.; Shipway, P. H.

2016-01-01

This paper investigates the effect of contact geometry, temperature and displacement amplitude on the fretting behaviour of an aero-turbo oil lubricated cylinder-on-flat contact. To be effective, the lubricant needed both to penetrate the contact and then offer protection. Lubricant penetration into the fretting contact is found to be controlled by two physical parameters, namely (i) the width of the contact that remains covered throughout the fretting test and (ii) the lubricant viscosity. The protection offered by the lubricant (assuming that it has successfully penetrated the contact) is influenced by four physical parameters, namely (i) lubricant viscosity, (ii) traverse velocity, (iii) nominal contact pressure, and (iv) chemical effects. The relationship between the three experimental parameters which were varied in the programme of work (temperature, fretting displacement and cylinder radius) and physical parameters which influence the protection offered by the lubricant film can be competing, and therefore complex wear behaviour is observed. The roles of the various parameters in controlling the wear behaviour are presented in a coherent physical framework. PMID:27853530

Closer look at the effect of AFM imaging conditions on the apparent dimensions of surface nanobubbles.

PubMed

Walczyk, Wiktoria; Schönherr, Holger

2013-01-15

To date, TM AFM (tapping mode or intermittent contact mode atomic force microscopy) is the most frequently applied direct imaging technique to visualize surface nanobubbles at the solid-aqueous interface. On one hand, AFM is the only profilometric technique that provides estimates of the bubbles' nanoscopic dimensions. On the other hand, the nanoscopic contact angles of surface nanobubbles estimated from their apparent dimensions that are deduced from AFM "height" images of nanobubbles differ markedly from the macrocopic water contact angles on the identical substrates. Here we show in detail how the apparent bubble height and width of surface nanobubbles on highly oriented pyrolytic graphite (HOPG) depend on the free amplitude of the cantilever oscillations and the amplitude setpoint ratio. (The role of these two AFM imaging parameters and their interdependence has not been studied so far for nanobubbles in a systematic way.) In all experiments, even with optimal scanning parameters, nanobubbles at the HOPG-water interface appeared to be smaller in the AFM images than their true size, which was estimated using a method presented herein. It was also observed that the severity of the underestimate increased with increasing bubble height and radius of curvature. The nanoscopic contact angle of >130° for nanobubbles on HOPG extrapolated to zero interaction force was only slightly overestimated and hence significantly higher than the macroscopic contact angle of water on HOPG (63 ± 2°). Thus, the widely reported contact angle discrepancy cannot be solely attributed to inappropriate AFM imaging conditions.

Pathogen transfer through environment-host contact: an agent-based queueing theoretic framework.

PubMed

Chen, Shi; Lenhart, Suzanne; Day, Judy D; Lee, Chihoon; Dulin, Michael; Lanzas, Cristina

2017-11-02

Queueing theory studies the properties of waiting queues and has been applied to investigate direct host-to-host transmitted disease dynamics, but its potential in modelling environmentally transmitted pathogens has not been fully explored. In this study, we provide a flexible and customizable queueing theory modelling framework with three major subroutines to study the in-hospital contact processes between environments and hosts and potential nosocomial pathogen transfer, where environments are servers and hosts are customers. Two types of servers with different parameters but the same utilization are investigated. We consider various forms of transfer functions that map contact duration to the amount of pathogen transfer based on existing literature. We propose a case study of simulated in-hospital contact processes and apply stochastic queues to analyse the amount of pathogen transfer under different transfer functions, and assume that pathogen amount decreases during the inter-arrival time. Different host behaviour (feedback and non-feedback) as well as initial pathogen distribution (whether in environment and/or in hosts) are also considered and simulated. We assess pathogen transfer and circulation under these various conditions and highlight the importance of the nonlinear interactions among contact processes, transfer functions and pathogen demography during the contact process. Our modelling framework can be readily extended to more complicated queueing networks to simulate more realistic situations by adjusting parameters such as the number and type of servers and customers, and adding extra subroutines. © The authors 2017. Published by Oxford University Press on behalf of the Institute of Mathematics and its Applications. All rights reserved.

Tack Measurements of Prepreg Tape at Variable Temperature and Humidity

NASA Technical Reports Server (NTRS)

Wohl, Christopher; Palmieri, Frank L.; Forghani, Alireza; Hickmott, Curtis; Bedayat, Houman; Coxon, Brian; Poursartip, Anoush; Grimsley, Brian

2017-01-01

NASA’s Advanced Composites Project has established the goal of achieving a 30 percent reduction in the timeline for certification of primary composite structures for application on commercial aircraft. Prepreg tack is one of several critical parameters affecting composite manufacturing by automated fiber placement (AFP). Tack plays a central role in the prevention of wrinkles and puckers that can occur during AFP, thus knowledge of tack variation arising from a myriad of manufacturing and environmental conditions is imperative for the prediction of defects during AFP. A full design of experiments was performed to experimentally characterize tack on 0.25-inch slit-tape tow IM7/8552-1 prepreg using probe tack testing. Several process parameters (contact force, contact time, retraction speed, and probe diameter) as well as environmental parameters (temperature and humidity) were varied such that the entire parameter space could be efficiently evaluated. Mid-point experimental conditions (i.e., parameters not at either extrema) were included to enable prediction of curvature in relationships and repeat measurements were performed to characterize experimental error. Collectively, these experiments enable determination of primary dependencies as well as multi-parameter relationships. Slit-tape tow samples were mounted to the bottom plate of a rheometer parallel plate fixture using a jig to prevent modification of the active area to be interrogated with the top plate, a polished stainless steel probe, during tack testing. The probe surface was slowly brought into contact with the pre-preg surface until a pre-determined normal force was achieved (2-30 newtons). After a specified dwell time (0.02-10 seconds), during which the probe substrate interaction was maintained under displacement control, the probe was retracted from the surface (0.1-50 millimeters per second). Initial results indicated a clear dependence of tack strength on several parameters, with a particularly strong dependence on temperature and humidity. Although an increase in either of these parameters reduces tack strength, a maximum in tack was predicted to occur under conditions of low temperature and moderate humidity.

In-vivo viscous properties of the heel pad by stress-relaxation experiment based on a spherical indentation.

PubMed

Suzuki, Ryo; Ito, Kohta; Lee, Taeyong; Ogihara, Naomichi

2017-12-01

Identifying the viscous properties of the plantar soft tissue is crucial not only for understanding the dynamic interaction of the foot with the ground during locomotion, but also for development of improved footwear products and therapeutic footwear interventions. In the present study, the viscous and hyperelastic material properties of the plantar soft tissue were experimentally identified using a spherical indentation test and an analytical contact model of the spherical indentation test. Force-relaxation curves of the heel pads were obtained from the indentation experiment. The curves were fit to the contact model incorporating a five-element Maxwell model to identify the viscous material parameters. The finite element method with the experimentally identified viscoelastic parameters could successfully reproduce the measured force-relaxation curves, indicating the material parameters were correctly estimated using the proposed method. Although there are some methodological limitations, the proposed framework to identify the viscous material properties may facilitate the development of subject-specific finite element modeling of the foot and other biological materials. Copyright © 2017 IPEM. Published by Elsevier Ltd. All rights reserved.

Predictors of cerebral microembolization during phased radiofrequency ablation of atrial fibrillation: analysis of biophysical parameters from the ablation generator.

PubMed

Nagy-Balo, Edina; Kiss, Alexandra; Condie, Catherine; Stewart, Mark; Edes, Istvan; Csanadi, Zoltan

2014-06-01

Pulmonary vein isolation with phased radiofrequency current and use of a pulmonary vein ablation catheter (PVAC) has recently been associated with a high incidence of clinically silent brain infarcts on diffusion-weighted magnetic resonance imaging and a high microembolic signal (MES) count detected by transcranial Doppler. The purpose of this study was to investigate the potential correlation between different biophysical parameters of energy delivery (ED) and MES generation during PVAC ablation. MES counts during consecutive PVAC ablations were recorded for each ED and time stamped for correlation with temperature, power, and impedance data from the GENius 14.4 generator. Additionally, catheter-tissue contact was characterized by the template deviation score, calculated by comparing the temperature curve with an ideal template representing good contact, and by the respiratory contact failure score, to quantify temperature variations indicative of intermittent contact due to respiration. A total of 834 EDs during 48 PVAC ablations were analyzed. A significant increase in MES count was associated with a lower average temperature, a temperature integral over 62°C, a higher average power, the total energy delivered, higher respiration and template deviation scores (P <.0001), and simultaneous ED to the most proximal and distal poles of the PVAC (P <.0001). MES generation during ablation is related to different indicators of poor electrode-tissue contact, the total power delivered, and the interaction between the most distal and the most proximal electrodes. Copyright © 2014. Published by Elsevier Inc.

Molecular Dynamics Study of Thermally Augmented Nanodroplet Motion on Chemical Energy Induced Wettability Gradient Surfaces.

PubMed

Chakraborty, Monojit; Chowdhury, Anamika; Bhusan, Richa; DasGupta, Sunando

2015-10-20

Droplet motion on a surface with chemical energy induced wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics of molecular movement near the solid-liquid interface including the contact line friction. The simulations mimic experiments in a comprehensive manner wherein microsized droplets are propelled by the surface wettability gradient against forces opposed to motion. The liquid-wall Lennard-Jones interaction parameter and the substrate temperature are varied to explore their effects on the three-phase contact line friction coefficient. The contact line friction is observed to be a strong function of temperature at atomistic scales, confirming their experimentally observed inverse functionality. Additionally, the MD simulation results are successfully compared with those from an analytical model for self-propelled droplet motion on gradient surfaces.

Boundary slip and wetting properties of interfaces: correlation of the contact angle with the slip length.

PubMed

Voronov, Roman S; Papavassiliou, Dimitrios V; Lee, Lloyd L

2006-05-28

Correlations between contact angle, a measure of the wetting of surfaces, and slip length are developed using nonequilibrium molecular dynamics for a Lennard-Jones fluid in Couette flow between graphitelike hexagonal-lattice walls. The fluid-wall interaction is varied by modulating the interfacial energy parameter epsilonr=epsilonsfepsilonff and the size parameter sigmar=sigmasfsigmaff, (s=solid, f=fluid) to achieve hydrophobicity (solvophobicity) or hydrophilicity (solvophilicity). The effects of surface chemistry, as well as the effects of temperature and shear rate on the slip length are determined. The contact angle increases from 25 degrees to 147 degrees on highly hydrophobic surfaces (as epsilonr decreases from 0.5 to 0.1), as expected. The slip length is functionally dependent on the affinity strength parameters epsilonr and sigmar: increasing logarithmically with decreasing surface energy epsilonr (i.e., more hydrophobic), while decreasing with power law with decreasing size sigmar. The mechanism for the latter is different from the energetic case. While weak wall forces (small epsilonr) produce hydrophobicity, larger sigmar smoothes out the surface roughness. Both tend to increase the slip. The slip length grows rapidly with a high shear rate, as wall velocity increases three decades from 100 to 10(5) ms. We demonstrate that fluid-solid interfaces with low epsilonr and high sigmar should be chosen to increase slip and are prime candidates for drag reduction.

System analysis of force feedback microscopy

NASA Astrophysics Data System (ADS)

Rodrigues, Mario S.; Costa, Luca; Chevrier, Joël; Comin, Fabio

2014-02-01

It was shown recently that the Force Feedback Microscope (FFM) can avoid the jump-to-contact in Atomic force Microscopy even when the cantilevers used are very soft, thus increasing force resolution. In this letter, we explore theoretical aspects of the associated real time control of the tip position. We take into account lever parameters such as the lever characteristics in its environment, spring constant, mass, dissipation coefficient, and the operating conditions such as controller gains and interaction force. We show how the controller parameters are determined so that the FFM functions at its best and estimate the bandwidth of the system under these conditions.

Citation parameters of contact lens-related articles published in the ophthalmic literature.

PubMed

Cardona, Genís; Sanz, Joan P

2014-09-01

This study aimed at exploring the citation parameters of contact lenses articles published in the Ophthalmology thematic category of the Journal Citation Reports (JCR). The Thompson Reuters Web of Science database was accessed to record bibliometric information and citation parameters of all journals listed under the Ophthalmology area of the 2011 JCR edition, including the journals with main publication interests in the contact lens field. In addition, the same database was used to unveil all contact lens-related articles published in 2011 in the same thematic area, whereupon differences in citation parameters between those articles published in contact lens and non-contact lens-related journals were explored. Significant differences in some bibliometric indicators such as half-life and overall citation count were found between contact lens-related journals (shorter half-life and fewer citations) and the median values for the Ophthalmology thematic area of the JCR. Visual examination of all Ophthalmology journals uncovered a total of 156 contact lens-related articles, published in 28 different journals, with 27 articles each for Contact Lens & Anterior Eye, Eye & Contact Lens, and Optometry and Vision Science. Significant differences in citation parameters were encountered between those articles published in contact lens and non-contact lens source journals. These findings, which disclosed contact lenses to be a fertile area of research, may be of interest to researchers and institutions. Differences in bibliometric indicators are of relevance to avoid unwanted bias when conducting between- and within-discipline comparisons of articles, journals, and researchers.

Search for Excited or Exotic Electron Production Using the Dielectron + Photon Signature at CDF in Run II

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

Gerberich, Heather Kay

The author presents a search for excited or exotic electrons decaying to an electron and a photon with high transverse momentum. An oppositely charged electron is produced in association with the excited electron, yielding a final state dielectron + photon signature. The discovery of excited electrons would be a first indication of lepton compositeness. They use ~ 202 pb -1 of data collected in pmore » $$\\bar{p}$$ collisions at √s = 1.96 TeV with the Collider Detector at Fermilab during March 2001 through September 2003. The data are consistent with standard model expectations. Upper limits are set on the experimental cross-section σ($$\\bar{p}$$p → ee* → eeγ) at the 95% confidence level in a contact-interaction model and a gauge-mediated interaction model. Limits are also presented as exclusion regions in the parameter space of the excited electron mass (M e*) and the compositeness energy scale (Λ). In the contact-interaction model, for which there are no previously published limits, they find M e* < 906 GeV is excluded for M e* = Λ. In the gauge-mediated model, the exclusion region in the M e* versus the phenomenological coupling f/Λ parameter space is extended to M{sub e*} < 430 GeV for f/Λ ~ 10 -2 GeV -1. In comparison, other experiments have excluded M e* < 280 GeV for f/Λ ~ 10 -2 GeV -1.« less

Contact Dermatitis for the Practicing Allergist.

PubMed

Bernstein, David I

2015-01-01

This article provides an overview of important practice recommendations from the recently updated Contact Dermatitis Practice Parameter. This updated parameter provides essential recommendations pertaining to clinical history, physical examination, and patch testing evaluation of patients suspected of allergic contact dermatitis. In addition to providing guidance for performing and interpreting closed patch testing, the updated parameter provides concrete recommendations for assessing metal hypersensitivity in patients receiving prosthetic devices, for evaluating workers with occupational contact dermatitis, and also for addressing allergic contact dermatitis in children. Finally, the document provides practical recommendations useful for educating patients regarding avoidance of exposure to known contact sensitizers in the home and at work. The Contact Dermatitis Parameter is designed as a practical, evidence-based clinical tool to be used by allergists and dermatologists who routinely are called upon to evaluate patients with skin disorders. Copyright © 2015 American Academy of Allergy, Asthma & Immunology. Published by Elsevier Inc. All rights reserved.

A study of the interaction between malachite green and lysozyme by steady-state fluorescence.

PubMed

Ding, Fei; Liu, Wei; Liu, Feng; Li, Zhi-Yuan; Sun, Ying

2009-09-01

The interaction of a N-methylated diaminotriphenylmethane dye, malachite green, with lysozyme was investigated by fluorescence spectroscopic techniques under physiological conditions. The binding parameters have been evaluated by fluorescence quenching methods. The results revealed that malachite green caused the fluorescence quenching of lysozyme through a static quenching procedure. The thermodynamic parameters like DeltaH and DeltaS were calculated to be -15.33 kJ mol(-1) and 19.47 J mol(-1) K(-1) according to van't Hoff equation, respectively, which proves main interaction between malachite green and lysozyme is hydrophobic forces and hydrogen bond contact. The distance r between donor (lysozyme) and acceptor (malachite green) was obtained to be 3.82 nm according to Frster's theory. The results of synchronous fluorescence, UV/vis and three-dimensional fluorescence spectra showed that binding of malachite green with lysozyme can induce conformational changes in lysozyme. In addition, the effects of common ions on the constants of lysozyme-malachite green complex were also discussed.

Modeling of Internet Influence on Group Emotion

NASA Astrophysics Data System (ADS)

Czaplicka, Agnieszka; Hołyst, Janusz A.

Long-range interactions are introduced to a two-dimensional model of agents with time-dependent internal variables ei = 0, ±1 corresponding to valencies of agent emotions. Effects of spontaneous emotion emergence and emotional relaxation processes are taken into account. The valence of agent i depends on valencies of its four nearest neighbors but it is also influenced by long-range interactions corresponding to social relations developed for example by Internet contacts to a randomly chosen community. Two types of such interactions are considered. In the first model the community emotional influence depends only on the sign of its temporary emotion. When the coupling parameter approaches a critical value a phase transition takes place and as result for larger coupling constants the mean group emotion of all agents is nonzero over long time periods. In the second model the community influence is proportional to magnitude of community average emotion. The ordered emotional phase was here observed for a narrow set of system parameters.

Critical evaluation of dipolar, acid-base and charge interactions I. Electron displacement within and between molecules, liquids and semiconductors.

PubMed

Rosenholm, Jarl B

2017-09-01

Specific dipolar, acid-base and charge interactions involve electron displacements. For atoms, single bonds and molecules electron displacement is characterized by electronic potential, absolute hardness, electronegativity and electron gap. In addition, dissociation, bonding, atomization, formation, ionization, affinity and lattice enthalpies are required to quantify the electron displacement in solids. Semiconductors are characterized by valence and conduction band energies, electron gaps and average Fermi energies which in turn determine Galvani potentials of the bulk, space charge layer and surface states. Electron displacement due to interaction between (probe) molecules, liquids and solids are characterized by parameters such as Hamaker constant, solubility parameter, exchange energy density, surface tension, work of adhesion and immersion. They are determined from permittivity, refractive index, enthalpy of vaporization, molar volume, surface pressure and contact angle. Moreover, acidic and basic probes may form adducts which are adsorbed on target substrates in order to establish an indirect measure of polarity, acidity, basicity or hydrogen bonding. Acidic acceptor numbers (AN), basic donor numbers (DN), acidic and basic "electrostatic" (E) and "covalent" (C) parameters determined by enthalpy of adduct formation are considered as general acid-base scales. However, the formal grounds for assignments as dispersive, Lifshitz-van der Waals, polar, acid, base and hydrogen bond interactions are inconsistent. Although correlations are found no of the parameters are mutually fully compatible and moreover the enthalpies of acid-base interaction do not correspond to free energies. In this review the foundations of different acid-base parameters relating to electron displacement within and between (probe) molecules, liquids and (semiconducting) solids are thoroughly investigated and their mutual relationships are evaluated. Copyright © 2017 Elsevier B.V. All rights reserved.

Decrease of contact resistance at the interface of carbon nanotube/electrode by nanowelding

NASA Astrophysics Data System (ADS)

Zhao, Bo; Wang, Yanfang; Zhang, Yafei

2017-03-01

Reliable interconnection between carbon nanotubes (CNTs) and external circuit is one of the prerequisite in CNT electronics. In this work, ultrasonic nanowelding was used to bond CNTs with metal electrodes. By exerting ultrasonic energy at the interface of CNT/electrode, a reliable joint with negligible contact resistance was obtained between CNTs and electrodes. The performance of welding is susceptible to the ultrasonic parameters such as ultrasonic power and clamping force, as well as the metal type. It is found that the metals with good ductility or low melting point are easier to achieve effective joints. Moreover, interfacial compounds are formed at the welded surface of metal Al and Fe, which is resulted from the interacting and chemical bonding of carbon and metal atoms. After nanowelding, the contact resistance between CNTs and electrode is decreased dramatically, and the two-terminal resistance of the sample approximates to the intrinsic resistance of the CNT itself.

Alterations to the relativistic Love-Franey model and their application to inelastic scattering

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

Zeile, J.R.

The fictitious axial-vector and tensor mesons for the real part of the relativistic Love-Franey interaction are removed. In an attempt to make up for this loss, derivative couplings are used for the {pi} and {rho} mesons. Such derivative couplings require the introduction of axial-vector and tensor contact term corrections. Meson parameters are then fit to free nucleon-nucleon scattering data. The resulting fits are comparable to those of the relativistic Love-Franey model provided that the contact term corrections are included and the fits are weighted over the physically significant quantity of twice the tensor minus the axial-vector Lorentz invariants. Failure tomore » include contact term corrections leads to poor fits at higher energies. The off-shell behavior of this model is then examined by looking at several applications from inelastic proton-nucleus scattering.« less

Fretting corrosion of CoCr alloy: Effect of load and displacement on the degradation mechanisms.

PubMed

Bryant, Michael; Neville, Anne

2017-02-01

Fretting corrosion of medical devices is of growing concern, yet, the interactions between tribological and electrochemical parameters are not fully understood. Fretting corrosion of CoCr alloy was simulated, and the components of damage were monitored as a function of displacement and contact pressure. Free corrosion potential (E corr ), intermittent linear polarisation resistance and cathodic potentiostatic methods were used to characterise the system. Interferometry was used to estimate material loss post rubbing. The fretting regime influenced the total material lost and the dominant degradation mechanism. At high contact pressures and low displacements, pure corrosion was dominant with wear and its synergies becoming more important as the contact pressure and displacement decreased and increased, respectively. In some cases, an antagonistic effect from the corrosion-enhanced wear contributor was observed suggesting that film formation and removal may be present. The relationship between slip mechanism and the contributors to tribocorrosion degradation is presented.

Optimization of thiamethoxam adsorption parameters using multi-walled carbon nanotubes by means of fractional factorial design.

PubMed

Panić, Sanja; Rakić, Dušan; Guzsvány, Valéria; Kiss, Erne; Boskovic, Goran; Kónya, Zoltán; Kukovecz, Ákos

2015-12-01

The aim of this work was to evaluate significant factors affecting the thiamethoxam adsorption efficiency using oxidized multi-walled carbon nanotubes (MWCNTs) as adsorbents. Five factors (initial solution concentration of thiamethoxam in water, temperature, solution pH, MWCNTs weight and contact time) were investigated using 2V(5-1) fractional factorial design. The obtained linear model was statistically tested using analysis of variance (ANOVA) and the analysis of residuals was used to investigate the model validity. It was observed that the factors and their second-order interactions affecting the thiamethoxam removal can be divided into three groups: very important, moderately important and insignificant ones. The initial solution concentration was found to be the most influencing parameter on thiamethoxam adsorption from water. Optimization of the factors levels was carried out by minimizing those parameters which are usually critical in real life: the temperature (energy), contact time (money) and weight of MWCNTs (potential health hazard), in order to maximize the adsorbed amount of the pollutant. The results of maximal adsorbed thiamethoxam amount in both real and optimized experiments indicate that among minimized parameters the adsorption time is one that makes the largest difference. The results of this study indicate that fractional factorial design is very useful tool for screening the higher number of parameters and reducing the number of adsorption experiments. Copyright © 2015 Elsevier Ltd. All rights reserved.

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales.

PubMed

Huang, Shiping

2017-11-13

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

Evolution of the Contact Area with Normal Load for Rough Surfaces: from Atomic to Macroscopic Scales

NASA Astrophysics Data System (ADS)

Huang, Shiping

2017-11-01

The evolution of the contact area with normal load for rough surfaces has great fundamental and practical importance, ranging from earthquake dynamics to machine wear. This work bridges the gap between the atomic scale and the macroscopic scale for normal contact behavior. The real contact area, which is formed by a large ensemble of discrete contacts (clusters), is proven to be much smaller than the apparent surface area. The distribution of the discrete contact clusters and the interaction between them are key to revealing the mechanism of the contacting solids. To this end, Green's function molecular dynamics (GFMD) is used to study both how the contact cluster evolves from the atomic scale to the macroscopic scale and the interaction between clusters. It is found that the interaction between clusters has a strong effect on their formation. The formation and distribution of the contact clusters is far more complicated than that predicted by the asperity model. Ignorance of the interaction between them leads to overestimating the contacting force. In real contact, contacting clusters are smaller and more discrete due to the interaction between the asperities. Understanding the exact nature of the contact area with the normal load is essential to the following research on friction.

Prioritized Contact Transport Stream

NASA Technical Reports Server (NTRS)

Hunt, Walter Lee, Jr. (Inventor)

2015-01-01

A detection process, contact recognition process, classification process, and identification process are applied to raw sensor data to produce an identified contact record set containing one or more identified contact records. A prioritization process is applied to the identified contact record set to assign a contact priority to each contact record in the identified contact record set. Data are removed from the contact records in the identified contact record set based on the contact priorities assigned to those contact records. A first contact stream is produced from the resulting contact records. The first contact stream is streamed in a contact transport stream. The contact transport stream may include and stream additional contact streams. The contact transport stream may be varied dynamically over time based on parameters such as available bandwidth, contact priority, presence/absence of contacts, system state, and configuration parameters.

Simulation of vertical dynamic vehicle-track interaction in a railway crossing using Green's functions

NASA Astrophysics Data System (ADS)

Li, X.; Torstensson, P. T.; Nielsen, J. C. O.

2017-12-01

Vertical dynamic vehicle-track interaction in the through route of a railway crossing is simulated in the time domain based on a Green's function approach for the track in combination with an implementation of Kalker's variational method to solve the non-Hertzian, and potentially multiple, wheel-rail contact. The track is described by a linear, three-dimensional and non-periodic finite element model of a railway turnout accounting for the variations in rail cross-sections and sleeper lengths, and including baseplates and resilient elements. To reduce calculation time due to the complexity of the track model, involving a large number of elements and degrees-of-freedom, a complex-valued modal superposition with a truncated mode set is applied before the impulse response functions are calculated at various positions along the crossing panel. The variation in three-dimensional contact geometry of the crossing and wheel is described by linear surface elements. In each time step of the contact detection algorithm, the lateral position of the wheelset centre is prescribed but the contact positions on wheel and rail are not, allowing for an accurate prediction of the wheel transition between wing rail and crossing rail. The method is demonstrated by calculating the wheel-rail impact load and contact stress distribution for a nominal S1002 wheel profile passing over a nominal crossing geometry. A parameter study is performed to determine the influence of vehicle speed, rail pad stiffness, lateral wheelset position and wheel profile on the impact load generated at the crossing. It is shown that the magnitude of the impact load is more influenced the wheel-rail contact geometry than by the selection of rail pad stiffness.

Time domain contact model for tyre/road interaction including nonlinear contact stiffness due to small-scale roughness

NASA Astrophysics Data System (ADS)

Andersson, P. B. U.; Kropp, W.

2008-11-01

Rolling resistance, traction, wear, excitation of vibrations, and noise generation are all attributes to consider in optimisation of the interaction between automotive tyres and wearing courses of roads. The key to understand and describe the interaction is to include a wide range of length scales in the description of the contact geometry. This means including scales on the order of micrometres that have been neglected in previous tyre/road interaction models. A time domain contact model for the tyre/road interaction that includes interfacial details is presented. The contact geometry is discretised into multiple elements forming pairs of matching points. The dynamic response of the tyre is calculated by convolving the contact forces with pre-calculated Green's functions. The smaller-length scales are included by using constitutive interfacial relations, i.e. by using nonlinear contact springs, for each pair of contact elements. The method is presented for normal (out-of-plane) contact and a method for assessing the stiffness of the nonlinear springs based on detailed geometry and elastic data of the tread is suggested. The governing equations of the nonlinear contact problem are solved with the Newton-Raphson iterative scheme. Relations between force, indentation, and contact stiffness are calculated for a single tread block in contact with a road surface. The calculated results have the same character as results from measurements found in literature. Comparison to traditional contact formulations shows that the effect of the small-scale roughness is large; the contact stiffness is only up to half of the stiffness that would result if contact is made over the whole element directly to the bulk of the tread. It is concluded that the suggested contact formulation is a suitable model to include more details of the contact interface. Further, the presented result for the tread block in contact with the road is a suitable input for a global tyre/road interaction model that is also based on the presented contact formulation.

Effect of pulsed laser parameters on the corrosion limitation for electric connector coatings

NASA Astrophysics Data System (ADS)

Georges, C.; Semmar, N.; Boulmer-Leborgne, C.

2006-12-01

Materials used in electrical contact applications are usually constituted of multilayered compounds (e.g.: copper alloy electroplated with a nickel layer and finally by a gold layer). After the electro-deposition, micro-channels and pores within the gold layer allow undesirable corrosion of the underlying protection. In order to modify the gold-coating microstructure, a laser surface treatment was applied. The laser treatment suppressing porosity and smoothing the surface sealed the original open structure as a low roughness allows a good electrical contact. Corrosion tests were carried out in humid synthetic air containing three polluting gases. SEM characterization of cross-sections was performed to estimate the gold melting depth and to observe the modifications of gold structure obtained after laser treatment. The effects of the laser treatment were studied according to different surface parameters (roughness of the substrate and thickness of the gold layer) and different laser parameters (laser wavelength, laser fluence, pulse duration and number of pulses). A thermokinetic model was used to understand the heating and melting mechanism of the multilayered coating to optimize the process in terms of laser wavelength, energy and time of interaction.

Power law tails in phylogenetic systems.

PubMed

Qin, Chongli; Colwell, Lucy J

2018-01-23

Covariance analysis of protein sequence alignments uses coevolving pairs of sequence positions to predict features of protein structure and function. However, current methods ignore the phylogenetic relationships between sequences, potentially corrupting the identification of covarying positions. Here, we use random matrix theory to demonstrate the existence of a power law tail that distinguishes the spectrum of covariance caused by phylogeny from that caused by structural interactions. The power law is essentially independent of the phylogenetic tree topology, depending on just two parameters-the sequence length and the average branch length. We demonstrate that these power law tails are ubiquitous in the large protein sequence alignments used to predict contacts in 3D structure, as predicted by our theory. This suggests that to decouple phylogenetic effects from the interactions between sequence distal sites that control biological function, it is necessary to remove or down-weight the eigenvectors of the covariance matrix with largest eigenvalues. We confirm that truncating these eigenvectors improves contact prediction.

Does glimepiride alter the pharmacokinetics of sildenafil citrate in diabetic nephropathy animals: investigating mechanism of interaction by molecular modeling studies.

PubMed

Tripathi, Alok Shiomurti; Timiri, Ajay Kumar; Mazumder, Papiya Mitra; Chandewar, Anil

2015-10-01

The present study evaluates possible drug interactions between glimepiride (GLIM) and sildenafil citrate (SIL) in streptozotocin (STZ)-induced diabetic nephropathic (DN) animals and also postulates the possible mechanism of interaction based on molecular modeling studies. Diabetic nephropathy was induced by single dose of STZ (60 mg kg(-1), i.p.) and was confirmed by assessing blood and urine biochemical parameters 28 days after induction. Selected DN animals were used to explore the drug interaction between GLIM (0.5 mg kg(-1), p.o.) and SIL (2.5 mg kg(-1), p.o.) on the 29th and 70th day of the protocol. Possible drug interaction was assessed by evaluating the plasma drug concentration using HPLC-UV and changes in biochemical parameters in blood and urine were also determined. The mechanism of the interaction was postulated from the results of a molecular modeling study using the Maestro module of Schrodinger software. DN was confirmed as there was significant alteration in blood and urine biochemical parameters in STZ-treated groups. The concentration of SIL increased significantly (P < 0.001) in rat plasma when co-administered with GLIM on the 70th day of the protocol. Molecular modeling revealed important interactions with rat serum albumin and CYP2C9. GLIM has a strong hydrophobic interaction with binding site residues of rat serum albumin compared to SIL, whereas for CYP2C9, GLIM forms a stronger hydrogen bond than SIL with polar contacts and hydrophobic interactions. The present study concludes that bioavailability of SIL increases when co-administered chronically with GLIM in the management of DN animals, and the mechanism is supported by molecular modeling studies.

The influence of surface roughness on the contact stiffness and the contact filter effect in nonlinear wheel-track interaction

NASA Astrophysics Data System (ADS)

Lundberg, Oskar E.; Nordborg, Anders; Lopez Arteaga, Ines

2016-03-01

A state-dependent contact model including nonlinear contact stiffness and nonlinear contact filtering is used to calculate contact forces and rail vibrations with a time-domain wheel-track interaction model. In the proposed method, the full three-dimensional contact geometry is reduced to a point contact in order to lower the computational cost and to reduce the amount of required input roughness-data. Green's functions including the linear dynamics of the wheel and the track are coupled with a point contact model, leading to a numerically efficient model for the wheel-track interaction. Nonlinear effects due to the shape and roughness of the wheel and the rail surfaces are included in the point contact model by pre-calculation of functions for the contact stiffness and contact filters. Numerical results are compared to field measurements of rail vibrations for passenger trains running at 200 kph on a ballast track. Moreover, the influence of vehicle pre-load and different degrees of roughness excitation on the resulting wheel-track interaction is studied by means of numerical predictions.

Predicting phase behavior of mixtures of reservoir fluids with carbon dioxide

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

Grigg, R.B.; Lingane, P.J.

1983-01-01

The use of an equation of state to predict phase behavior during carbon dioxide flooding is well established. The characterization of the C/sub 7/ fraction and the selection of interaction parameters are the most important variables. Single-contact phase behavior is presented for mixtures of Ford Geraldine (Delaware), Maljamar (Grayburg), West Sussex (Shannon), and Reservoir D reservoir fluids, and of a synthetic oil with carbon dioxide. The phase behavior of these mixtures can be reproduced using 3 to 5 pseudo components and common interaction parameters. The critical properties of the pseudo components are calculated from detailed oil characterizations. Because the parametersmore » are not further adjusted, this approach reduces the empiricism in fitting phase data and may result in a more accurate representation of the system as the composition of the oil changes during the approach to miscibility. 21 references.« less

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

NASA Astrophysics Data System (ADS)

Argolo, C.; Quintino, Yan; Gleria, Iram; Lyra, M. L.

2012-01-01

We study the critical short-time dynamical behavior of a one-dimensional model where diffusive individuals can infect a static population upon contact. The model presents an absorbing phase transition from an active to an inactive state. Previous calculations of the critical exponents based on quasistationary quantities have indicated an unusual crossover from the directed percolation to the diffusive contact process universality classes. Here we show that the critical exponents governing the slow short-time dynamic evolution of several relevant quantities, including the order parameter, its relative fluctuations, and correlation function, reinforce the lack of universality in this model. Accurate estimates show that the critical exponents are distinct in the regimes of low and high recovery rates.

Study of mechanical behavior of AFM silicon tips under mechanical load

NASA Astrophysics Data System (ADS)

Kopycinska-Mueller, M.; Gluch, J.; Köhler, B.

2016-11-01

In this paper we address critical issues concerning calibration of AFM based methods used for nanoscale mechanical characterization of materials. It has been shown that calibration approaches based on macroscopic models for contact mechanics may yield excellent results in terms of the indentation modulus of the sample, but fail to provide a comprehensive and actual information concerning the tip-sample contact radius or the mechanical properties of the tip. Explanations for the severely reduced indentation modulus of the tip included the inadequacies of the models used for calculations of the tip-sample contact stiffness, discrepancies in the actual and ideal shape of the tip, presence of the amorphous silicon phase within the silicon tip, as well as negligence of the actual size of the stress field created in the tip during elastic interactions. To clarify these issues, we investigated the influence of the mechanical load applied to four AFM silicon tips on their crystalline state by exposing them to systematically increasing loads, evaluating the character of the tip-sample interactions via the load-unload stiffness curves, and assessing the state of the tips from HR-TEM images. The results presented in this paper were obtained in a series of relatively simple and basic atomic force acoustic microscopy (AFAM) experiments. The novel combination of TEM imaging of the AFM tips with the analysis of the load-unload stiffness curves gave us a detailed insight into their mechanical behavior under load conditions. We were able to identify the limits for the elastic interactions, as well as the hallmarks for phase transformation and dislocation formation and movement. The comparison of the physical dimensions of the AFM tips, geometry parameters determined from the values of the contact stiffness, and the information on the crystalline state of the tips allowed us a better understanding of the nanoscale contact.

Thermal Interaction of Contact Lens Eyewear and 94 GHz Ocular Exposures

DTIC Science & Technology

2008-09-01

AFRL-RH-BR-TR-2008-0071 ` Thermal Interaction of Contact Lens Eyewear and 94 GHz Ocular Exposures John D’Andrea Carrie C. Crane...THERMAL INTERACTION OF CONTACT LENS EYEWEAR AND 94 GHz OCULAR EXPOSURES D’Andrea JA 1, Crane CC1, Hatcher DJ1, Marchello DR1, Ziriax JM1...MM-YYYY) 12-20-2005 2. REPORT TYPE Technical Report 3. DATES COVERED (From - To) 2004-2005 THERMAL INTERACTION OF CONTACT LENS EYEWEAR AND 94

Binary stellar winds. [flow and magnetic field geometry

NASA Technical Reports Server (NTRS)

Siscoe, G. L.; Heinemann, M. A.

1974-01-01

Stellar winds from a binary star pair will interact with each other along a contact discontinuity. We discuss qualitatively the geometry of the flow and field resulting from this interaction in the simplest case where the stars and winds are identical. We consider the shape of the critical surface (defined as the surface where the flow speed is equal to the sound speed) as a function of stellar separation and the role of shock waves in the flow field. The effect of stellar spin and magnetic sectors on the field configuration is given. The relative roles of mass loss and magnetic torque in the evolution of orbital parameters is discussed.

Construction of adhesion maps for contacts between a sphere and a half-space: Considering size effects of the sphere.

PubMed

Zhang, Yuyan; Wang, Xiaoli; Li, Hanqing; Yang, Weixu

2015-11-15

Previous adhesion maps, such as the JG (Johnson-Greenwood) and YCG (Yao-Ciavarella-Gao) maps, are used to guide the selection of Bradley, DMT, M-D, JKR and Hertz models. However, when the size of the contact sphere decreases to the small scale, the applicability of JG and YCG maps is limited because the assumptions regarding the contact region profile, interaction between contact bodies and sphere shape in the classical models constituting these two maps are no longer valid. To avoid this limitation, in this paper, a new numerical model considering size effects of the sphere is established first and then introduced into the new adhesion maps together with the YGG (Yao-Guduru-Gao) model and Hertz model. Regimes of these models in the new map under a certain sphere radius are demarcated by the criteria related to the relative force differences and the ratio of contact radius to sphere radius. In addition, the approaches at pull-off, jump-in and jump-out for different Tabor parameters and sphere radii are provided in the new maps. Finally, to make the new maps more feasible, the numerical results of approaches, force and contact radius involved in the maps are formularized by using the piecewise fitting. Copyright © 2015 Elsevier Inc. All rights reserved.

An interactive Bayesian geostatistical inverse protocol for hydraulic tomography

USGS Publications Warehouse

Fienen, Michael N.; Clemo, Tom; Kitanidis, Peter K.

2008-01-01

Hydraulic tomography is a powerful technique for characterizing heterogeneous hydrogeologic parameters. An explicit trade-off between characterization based on measurement misfit and subjective characterization using prior information is presented. We apply a Bayesian geostatistical inverse approach that is well suited to accommodate a flexible model with the level of complexity driven by the data and explicitly considering uncertainty. Prior information is incorporated through the selection of a parameter covariance model characterizing continuity and providing stability. Often, discontinuities in the parameter field, typically caused by geologic contacts between contrasting lithologic units, necessitate subdivision into zones across which there is no correlation among hydraulic parameters. We propose an interactive protocol in which zonation candidates are implied from the data and are evaluated using cross validation and expert knowledge. Uncertainty introduced by limited knowledge of dynamic regional conditions is mitigated by using drawdown rather than native head values. An adjoint state formulation of MODFLOW-2000 is used to calculate sensitivities which are used both for the solution to the inverse problem and to guide protocol decisions. The protocol is tested using synthetic two-dimensional steady state examples in which the wells are located at the edge of the region of interest.

Surgical stent planning: simulation parameter study for models based on DICOM standards.

PubMed

Scherer, S; Treichel, T; Ritter, N; Triebel, G; Drossel, W G; Burgert, O

2011-05-01

Endovascular Aneurysm Repair (EVAR) can be facilitated by a realistic simulation model of stent-vessel-interaction. Therefore, numerical feasibility and integrability in the clinical environment was evaluated. The finite element method was used to determine necessary simulation parameters for stent-vessel-interaction in EVAR. Input variables and result data of the simulation model were examined for their standardization using DICOM supplements. The study identified four essential parameters for the stent-vessel simulation: blood pressure, intima constitution, plaque occurrence and the material properties of vessel and plaque. Output quantities such as radial force of the stent and contact pressure between stent/vessel can help the surgeon to evaluate implant fixation and sealing. The model geometry can be saved with DICOM "Surface Segmentation" objects and the upcoming "Implant Templates" supplement. Simulation results can be stored using the "Structured Report". A standards-based general simulation model for optimizing stent-graft selection may be feasible. At present, there are limitations due to specification of individual vessel material parameters and for simulating the proximal fixation of stent-grafts with hooks. Simulation data with clinical relevance for documentation and presentation can be stored using existing or new DICOM extensions.

Toxic effects of microplastic on marine microalgae Skeletonema costatum: Interactions between microplastic and algae.

PubMed

Zhang, Cai; Chen, Xiaohua; Wang, Jiangtao; Tan, Liju

2017-01-01

To investigate toxic effects of microplastic on marine microalgae Skeletonema costatum, both algal growth inhibition test and non-contact shading test were carried out, and algal photosynthesis parameters were also determined. The SEM images were used to observe interactions between microplastic and algae. It was found that microplastic (mPVC, average diameter 1 μm) had obvious inhibition on growth of microalgae and the maximum growth inhibition ratio (IR) reached up to 39.7% after 96 h exposure. However, plastic debris (bPVC, average diameter 1 mm) had no effects on growth of microalgae. High concentration (50 mg/L) mPVC also had negative effects on algal photosynthesis since both chlorophyll content and photosynthetic efficiency (ΦPSⅡ) decreased under mPVC treatments. Shading effect was not one reason for toxicity of microplastic on algae in this study. Compared with non-contact shading effect, interactions between microplastic and microalage such as adsorption and aggregation were more reasonable explanations for toxic effects of microplastic on marine microalgae. The SEM images provided a more direct and reasonable method to observe the behaviors of microplastic. Copyright © 2016 Elsevier Ltd. All rights reserved.

Human-Human Interaction Forces and Interlimb Coordination During Side-by-Side Walking With Hand Contact.

PubMed

Sylos-Labini, Francesca; d'Avella, Andrea; Lacquaniti, Francesco; Ivanenko, Yury

2018-01-01

Handholding can naturally occur between two walkers. When people walk side-by-side, either with or without hand contact, they often synchronize their steps. However, despite the importance of haptic interaction in general and the natural use of hand contact between humans during walking, few studies have investigated forces arising from physical interactions. Eight pairs of adult subjects participated in this study. They walked on side-by-side treadmills at 4 km/h independently and with hand contact. Only hand contact-related sensory information was available for unintentional synchronization, while visual and auditory communication was obstructed. Subjects walked at their natural cadences or following a metronome. Limb kinematics, hand contact 3D interaction forces and EMG activity of 12 upper limb muscles were recorded. Overall, unintentional step frequency locking was observed during about 40% of time in 88% of pairs walking with hand contact. On average, the amplitude of contact arm oscillations decreased while the contralateral (free) arm oscillated in the same way as during normal walking. Interestingly, EMG activity of the shoulder muscles of the contact arm did not decrease, and their synergistic pattern remained similar. The amplitude of interaction forces and of trunk oscillations was similar for synchronized and non-synchronized steps, though the synchronized steps were characterized by significantly more regular orientations of interaction forces. Our results further support the notion that gait synchronization during natural walking is common, and that it may occur through interaction forces. Conservation of the proximal muscle activity of the contact (not oscillating) arm is consistent with neural coupling between cervical and lumbosacral pattern generation circuitries ("quadrupedal" arm-leg coordination) during human gait. Overall, the findings suggest that individuals might integrate force interaction cues to communicate and coordinate steps during walking.

Human-Human Interaction Forces and Interlimb Coordination During Side-by-Side Walking With Hand Contact

PubMed Central

Sylos-Labini, Francesca; d'Avella, Andrea; Lacquaniti, Francesco; Ivanenko, Yury

2018-01-01

Handholding can naturally occur between two walkers. When people walk side-by-side, either with or without hand contact, they often synchronize their steps. However, despite the importance of haptic interaction in general and the natural use of hand contact between humans during walking, few studies have investigated forces arising from physical interactions. Eight pairs of adult subjects participated in this study. They walked on side-by-side treadmills at 4 km/h independently and with hand contact. Only hand contact-related sensory information was available for unintentional synchronization, while visual and auditory communication was obstructed. Subjects walked at their natural cadences or following a metronome. Limb kinematics, hand contact 3D interaction forces and EMG activity of 12 upper limb muscles were recorded. Overall, unintentional step frequency locking was observed during about 40% of time in 88% of pairs walking with hand contact. On average, the amplitude of contact arm oscillations decreased while the contralateral (free) arm oscillated in the same way as during normal walking. Interestingly, EMG activity of the shoulder muscles of the contact arm did not decrease, and their synergistic pattern remained similar. The amplitude of interaction forces and of trunk oscillations was similar for synchronized and non-synchronized steps, though the synchronized steps were characterized by significantly more regular orientations of interaction forces. Our results further support the notion that gait synchronization during natural walking is common, and that it may occur through interaction forces. Conservation of the proximal muscle activity of the contact (not oscillating) arm is consistent with neural coupling between cervical and lumbosacral pattern generation circuitries (“quadrupedal” arm-leg coordination) during human gait. Overall, the findings suggest that individuals might integrate force interaction cues to communicate and coordinate steps during walking. PMID:29563883

The Relationship Between School Holidays and Transmission of Influenza in England and Wales

PubMed Central

Jackson, Charlotte; Vynnycky, Emilia; Mangtani, Punam

2016-01-01

Abstract School closure is often considered as an influenza control measure, but its effects on transmission are poorly understood. We used 2 approaches to estimate how school holidays affect the contact parameter (the per capita rate of contact sufficient for infection transmission) for influenza using primary care data from England and Wales (1967–2000). Firstly, we fitted an age-structured susceptible-infectious-recovered model to each year's data to estimate the proportional change in the contact parameter during school holidays as compared with termtime. Secondly, we calculated the percentage difference in the contact parameter between holidays and termtime from weekly values of the contact parameter, estimated directly from simple mass-action models. Estimates were combined using random-effects meta-analysis, where appropriate. From fitting to the data, the difference in the contact parameter among children aged 5–14 years during holidays as compared with termtime ranged from a 36% reduction to a 17% increase; estimates were too heterogeneous for meta-analysis. Based on the simple mass-action model, the contact parameter was 17% (95% confidence interval: 10, 25) lower during holidays than during termtime. Results were robust to the assumed proportions of infections that were reported and individuals who were susceptible when the influenza season started. We conclude that school closure may reduce transmission during influenza outbreaks. PMID:27744384

Operational limit conditions of the spur gears in lubricated modes

NASA Astrophysics Data System (ADS)

Benilha, S.; Belarifi, F.

2018-01-01

The calculation of the gear teeth resistance, shows the using of a certain number of coefficients determined experimentally and which are accepted by the various international standards. However, this kind of calculation determines the gears by excess material and does not support the tribological parameters of operation. We propose in this work the support of these parameters, to determine the limit operation conditions of the spur gears, using the equivalent geometry. This is represented by two cylinders, which geometrically models of the contact between two teeth of a gear and whose lubrication is generally in mixed lubrication mode. The concept of Mc cool is used to determine the distribution of the load and the friction force, which are distributed in liquid (elastohydrodynamic) and solid domains and interact with each other. The phenomenon of interaction between the two domains is used, to predict the tribological limit conditions of operation. The proposed model is based on the resolution of elastohydrodynamic equations for the determination of load and friction as well as the deduction of mixed friction by tracing the Stribeck curve. This is calculated by the model of the decomposition of the patterns profile of rough surfaces in contacts. The results of non-dimensional calculations allow us to deduce the boundary conditions and can be adapted for any type of gear pair defined according to pre-established operating conditions.

Effect of Length, Diameter, Chirality, Deformation, and Strain on Contact Thermal Conductance between Single Wall Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Varshney, Vikas; Lee, Jonghoon; Brown, Joshua S.; Farmer, Barry L.; Voevodin, Andrey A.; Roy, Ajit K.

2018-04-01

Thermal energy transfer across physically interacting single-wall carbon nanotube (SWCNT) interconnects has been investigated using non-equilibrium molecular dynamics simulations. The role of various geometrical and structural (length, diameter, chirality) as well as external (deformation and strain) carbon nanotube (CNT) parameters has been explored to estimate total as well as area-normalized thermal conductance across cross-contact interconnects. It is shown that the CNT aspect ratio and degree of lateral as well as tensile deformation play a significant role in determining the extent of thermal energy exchange across CNT contacts, while CNT chirality has a negligible influence on thermal transport. Depending on the CNT diameter, aspect ratio, and degree of deformation at the contact interface, the thermal conductance values can vary significantly –by more than an order of magnitude for total conductance and a factor of 3 to 4 for area-normalized conductance. The observed trends are discussed from the perspective of modulation in number of low frequency out-of-plane (transverse, flexural, and radial) phonons that transmit thermal energy across the contact and govern the conductance across the interface. The established general dependencies for phonon governed thermal transport at CNT contacts are anticipated to help design and performance prediction of CNT-based flexible nanoelectronic devices, where CNT-CNT contact deformation and strain are routinely encountered during device operations.

Deformation processes within wheel-rail adhesion in contact area

NASA Astrophysics Data System (ADS)

Albagachiev, A. Yu; Keropyan, A. M.

2018-03-01

The study of working surface deformation during interaction of open-pit locomotive tires allowed defining outstanding features of phenomena occurring in the contact area of interacting surfaces. It was found that processes typical for plastic saturated contact occur in the area of wheel-rail interaction of industrial railway transport. In case of plastic deformation exposed to heavy loads typical for open-pit locomotives, upon all rough surfaces of the contour contact area being fully deformed, the frame on which they are found is exposed to plastic deformation. Plastic deformation of roughness within the contact area of interacting surfaces leads to the increase in the actual area of their contact and, therefore, increases the towing capacity of mining machines. Finally, the available data on deformation characteristics with regard to processes occurring in the contact area of wheel-rail interaction will allow making theoretical forecasts on the expected design value of friction coefficient and, therefore, the towing capacity of open-pit locomotives.

Predicting phase behavior of mixtures of reservoir fluids with carbon dioxide

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

Grigg, R.B.; Lingane, P.J.

1983-10-01

The use of an equation of state to predict phase behavior during carbon dioxide flooding is well established. There is consensus that the characterization of the C fraction, the grouping of this fraction into ''pseudo components'', and the selection of interaction parameters are the most important variables. However, the literature is vague as to how to best select the pseudo components, especially when aiming for a few-component representation as for a field scale compositional simulation. Single-contact phase behavior is presented for mixtures of Ford Geraldine (Delaware), Maljamar (Grayburg), West Sussex (Shannon), and Reservoir D reservoir fluids, and of a syntheticmore » oil C/C/C, with carbon dioxide. One can reproduce the phase behavior of these mixtures using 3-5 pseudo components and common interaction parameters. The critical properties of the pseudo components are calculated from detailed oil characterizations. Because the parameters are not further adjusted, this approach reduces the empiricism in fitting phase data and may result in a more accurate representation of the system as the composition of the oil changes during the approach to miscibility.« less

Short stack modeling of degradation in solid oxide fuel cells. Part II. Sensitivity and interaction analysis

NASA Astrophysics Data System (ADS)

Gazzarri, J. I.; Kesler, O.

In the first part of this two-paper series, we presented a numerical model of the impedance behaviour of a solid oxide fuel cell (SOFC) aimed at simulating the change in the impedance spectrum induced by contact degradation at the interconnect-electrode, and at the electrode-electrolyte interfaces. The purpose of that investigation was to develop a non-invasive diagnostic technique to identify degradation modes in situ. In the present paper, we appraise the predictive capabilities of the proposed method in terms of its robustness to uncertainties in the input parameters, many of which are very difficult to measure independently. We applied this technique to the degradation modes simulated in Part I, in addition to anode sulfur poisoning. Electrode delamination showed the highest robustness to input parameter variations, followed by interconnect oxidation and interconnect detachment. The most sensitive degradation mode was sulfur poisoning, due to strong parameter interactions. In addition, we simulate several simultaneous two-degradation-mode scenarios, assessing the method's capabilities and limitations for the prediction of electrochemical behaviour of SOFC's undergoing multiple simultaneous degradation modes.

Contact effects analyzed by a parameter extraction method based on a single bottom-gate/top-contact organic thin-film transistor

NASA Astrophysics Data System (ADS)

Takagaki, Shunsuke; Yamada, Hirofumi; Noda, Kei

2018-03-01

Contact effects in organic thin-film transistors (OTFTs) were examined by using our previously proposed parameter extraction method from the electrical characteristics of a single staggered-type device. Gate-voltage-dependent contact resistance and channel mobility in the linear regime were evaluated for bottom-gate/top-contact (BGTC) pentacene TFTs with active layers of different thicknesses, and for pentacene TFTs with contact-doped layers prepared by coevaporation of pentacene and tetrafluorotetracyanoquinodimethane (F4TCNQ). The extracted parameters suggested that the influence of the contact resistance becomes more prominent with the larger active-layer thickness, and that contact-doping experiments give rise to a drastic decrease in the contact resistance and a concurrent considerable improvement in the channel mobility. Additionally, the estimated energy distributions of trap density in the transistor channel probably reflect the trap filling with charge carriers injected into the channel regions. The analysis results in this study confirm the effectiveness of our proposed method, with which we can investigate contact effects and circumvent the influences of characteristic variations in OTFT fabrication.

In vitro adhesion of Acanthamoeba castellanii to soft contact lenses depends on water content and disinfection procedure.

PubMed

Reverey, Julia F; Fromme, Roland; Leippe, Matthias; Selhuber-Unkel, Christine

2014-08-01

To compare the potential of different soft contact lenses to be contaminated with Acanthamoeba castellanii as a function of material parameters and cleaning procedures. Different unworn soft hydrogel and silicone hydrogel contact lenses were incubated with human pathogenic A. castellanii. The adhesion of the acanthamoebae was investigated on the contact lenses and put into relation to their material parameters. The efficacy of a recommended contact lens cleaning procedure in reducing A. castellanii adhesion was investigated. We found that material parameters such as elastic modulus, silicone content, ionic properties and swelling do not influence the adhesion of acanthamoebae to soft contact lenses. A material parameter that influenced adhesion significantly was the water content of the lens. With increasing water content, the adhesion of acanthamoebae increased. By following the cleaning instructions of the manufacturer the contamination of the lenses with A. castellanii could be reduced to a minimum, as shown both on contact lenses and in control experiments. With this study we show that for the tested lenses, the adhesion of A. castellanii to contact lenses is independent of the silicone content of the lens, but depends nonlinearly on the water content of the lens. Furthermore, we demonstrate that applying proper lens cleaning procedures minimizes the risk of acanthamoebae adhesion to contact lenses. Copyright © 2013 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.

PubMed

Tsuzuki, Seiji; Uchimaru, Tadafumi; Mikami, Masuhiro

2011-10-20

The CH/π contact structures of the fucose-phenol and fucose-indole complexes and the stabilization energies by formation of the complexes (E(form)) were studied by ab initio molecular orbital calculations. The three types of interactions (CH/π and OH/π interactions and OH/O hydrogen bonds) were compared and evaluated in a single molecular system and at the same level of theory. The E(form) calculated for the most stable CH/π contact structure of the fucose-phenol complex at the CCSD(T) level (-4.9 kcal/mol) is close to that for the most stable CH/π contact structure of the fucose-benzene complex (-4.5 kcal/mol). On the other hand the most stable CH/π contact structure of the fucose-indole complex has substantially larger E(form) (-6.5 kcal/mol). The dispersion interaction is the major source of the attraction in the CH/π contact structures of the fucose-phenol and fucose-indole complexes as in the case of the fucose-benzene complex. The electrostatic interactions in the CH/π contact structures are small (less than 1.5 kcal/mol). The nature of the interactions between the nonpolar surface of the carbohydrate and aromatic rings is completely different from that of the conventional hydrogen bonds where the electrostatic interaction is the major source of the attraction. The distributed multipole analysis and DFT-SATP analysis show that the dispersion interactions in the CH/π contact structure of fucose-indole complex are substantially larger than those in the CH/π contact structures of fucose-benzene and fucose-phenol complexes. The large dispersion interactions are responsible for the large E(form) for the fucose-indole complex.

Pneumatic tyres interacting with deformable terrains

NASA Astrophysics Data System (ADS)

Bekakos, C. A.; Papazafeiropoulos, G.; O'Boy, D. J.; Prins, J.

2016-09-01

In this study, a numerical model of a deformable tyre interacting with a deformable road has been developed with the use of the finite element code ABAQUS (v. 6.13). Two tyre models with different widths, not necessarily identical to any real industry tyres, have been created purely for research use. The behaviour of these tyres under various vertical loads and different inflation pressures is studied, initially in contact with a rigid surface and then with a deformable terrain. After ensuring that the tyre model gives realistic results in terms of the interaction with a rigid surface, the rolling process of the tyre on a deformable road was studied. The effects of friction coefficient, inflation pressure, rebar orientation and vertical load on the overall performance are reported. Regarding the modelling procedure, a sequence of models were analysed, using the coupling implicit - explicit method. The numerical results reveal that not only there is significant dependence of the final tyre response on the various initial driving parameters, but also special conditions emerge, where the desired response of the tyre results from specific optimum combination of these parameters.

Tyre-road contact using a particle-envelope surface model

NASA Astrophysics Data System (ADS)

Pinnington, Roger J.

2013-12-01

Determination of the contact forces is the central problem in all aspects of road-tyre interaction: i.e. noise, energy loss and friction. A procedure to find the contact forces under a rolling tyre is presented in four stages. First, the contact stiffness of a uniform peak array from indentations in the rubber tread, and also tyre carcass deflection, is described by some new simplified expressions. Second, a routine divides a single surface profile into equal search intervals, in which the highest peaks are identified. These are used to obtain the parameters for the interval, i.e. the mean envelope and the mean interval. The process is repeated at geometrically decreasing search intervals until the level of the data resolution, thereby describing the profile by a set of envelopes. The ‘strip profile’ ultimately used to describe the surface, is obtained by selecting the highest points across the profiles of one stone's width. The third stage is to combine the strip profile envelopes with the contact stiffness expressions, yielding the nonlinear stiffness-displacement, and force-displacement relationships for the chosen road-tyre combination. Finally the contact pressure distribution from a steady-state rolling tyre model is applied to the strip profile, via the force-displacement relationship, giving the local tyre displacements on the road texture. This displacement pattern is shown to be proportional to the time and space varying contact pressure, which then is incorporated into a wave equation for rolling contact.

DNA–protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar

PubMed Central

Wilson, Katie A.; Kellie, Jennifer L.; Wetmore, Stacey D.

2014-01-01

Four hundred twenty-eight high-resolution DNA–protein complexes were chosen for a bioinformatics study. Although 164 crystal structures (38% of those searched) contained no interactions, 574 discrete π–contacts between the aromatic amino acids and the DNA nucleobases or deoxyribose were identified using strict criteria, including visual inspection. The abundance and structure of the interactions were determined by unequivocally classifying the contacts as either π–π stacking, π–π T-shaped or sugar–π contacts. Three hundred forty-four nucleobase–amino acid π–π contacts (60% of all interactions identified) were identified in 175 of the crystal structures searched. Unprecedented in the literature, 230 DNA–protein sugar–π contacts (40% of all interactions identified) were identified in 137 crystal structures, which involve C–H···π and/or lone–pair···π interactions, contain any amino acid and can be classified according to sugar atoms involved. Both π–π and sugar–π interactions display a range of relative monomer orientations and therefore interaction energies (up to –50 (–70) kJ mol−1 for neutral (charged) interactions as determined using quantum chemical calculations). In general, DNA–protein π-interactions are more prevalent than perhaps currently accepted and the role of such interactions in many biological processes may yet to be uncovered. PMID:24744240

Noise in NC-AFM measurements with significant tip–sample interaction

PubMed Central

Lübbe, Jannis; Temmen, Matthias

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip–sample interactions. The total noise power spectral density D Δ f(f m) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip–sample interaction, by the coupling between the amplitude and tip–sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f(f m) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip–sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops. PMID:28144538

Noise in NC-AFM measurements with significant tip-sample interaction.

PubMed

Lübbe, Jannis; Temmen, Matthias; Rahe, Philipp; Reichling, Michael

2016-01-01

The frequency shift noise in non-contact atomic force microscopy (NC-AFM) imaging and spectroscopy consists of thermal noise and detection system noise with an additional contribution from amplitude noise if there are significant tip-sample interactions. The total noise power spectral density D Δ f ( f m ) is, however, not just the sum of these noise contributions. Instead its magnitude and spectral characteristics are determined by the strongly non-linear tip-sample interaction, by the coupling between the amplitude and tip-sample distance control loops of the NC-AFM system as well as by the characteristics of the phase locked loop (PLL) detector used for frequency demodulation. Here, we measure D Δ f ( f m ) for various NC-AFM parameter settings representing realistic measurement conditions and compare experimental data to simulations based on a model of the NC-AFM system that includes the tip-sample interaction. The good agreement between predicted and measured noise spectra confirms that the model covers the relevant noise contributions and interactions. Results yield a general understanding of noise generation and propagation in the NC-AFM and provide a quantitative prediction of noise for given experimental parameters. We derive strategies for noise-optimised imaging and spectroscopy and outline a full optimisation procedure for the instrumentation and control loops.

The Relationship Between School Holidays and Transmission of Influenza in England and Wales.

PubMed

Jackson, Charlotte; Vynnycky, Emilia; Mangtani, Punam

2016-11-01

School closure is often considered as an influenza control measure, but its effects on transmission are poorly understood. We used 2 approaches to estimate how school holidays affect the contact parameter (the per capita rate of contact sufficient for infection transmission) for influenza using primary care data from England and Wales (1967-2000). Firstly, we fitted an age-structured susceptible-infectious-recovered model to each year's data to estimate the proportional change in the contact parameter during school holidays as compared with termtime. Secondly, we calculated the percentage difference in the contact parameter between holidays and termtime from weekly values of the contact parameter, estimated directly from simple mass-action models. Estimates were combined using random-effects meta-analysis, where appropriate. From fitting to the data, the difference in the contact parameter among children aged 5-14 years during holidays as compared with termtime ranged from a 36% reduction to a 17% increase; estimates were too heterogeneous for meta-analysis. Based on the simple mass-action model, the contact parameter was 17% (95% confidence interval: 10, 25) lower during holidays than during termtime. Results were robust to the assumed proportions of infections that were reported and individuals who were susceptible when the influenza season started. We conclude that school closure may reduce transmission during influenza outbreaks. © The Author 2016. Published by Oxford University Press on behalf of the Johns Hopkins Bloomberg School of Public Health. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Morphological Properties of Siloxane-Hydrogel Contact Lens Surfaces.

PubMed

Stach, Sebastian; Ţălu, Ştefan; Trabattoni, Silvia; Tavazzi, Silvia; Głuchaczka, Alicja; Siek, Patrycja; Zając, Joanna; Giovanzana, Stefano

2017-04-01

The aim of this study was to quantitatively characterize the micromorphology of contact lens (CL) surfaces using atomic force microscopy (AFM) and multifractal analysis. AFM and multifractal analysis were used to characterize the topography of new and worn siloxane-hydrogel CLs made of Filcon V (I FDA group). CL surface roughness was studied by AFM in intermittent-contact mode, in air, on square areas of 25 and 100 μm 2 , by using a Nanoscope V MultiMode (Bruker). Detailed surface characterization of the surface topography was obtained using statistical parameters of 3-D (three-dimensional) surface roughness, in accordance with ISO 25178-2: 2012. Before wear, the surface was found to be characterized by out-of-plane and sharp structures, whilst after a wear of 8 h, two typical morphologies were observed. One morphology (sharp type) has a similar aspect as the unworn CLs and the other morphology (smooth type) is characterized by troughs and bumpy structures. The analysis of the AFM images revealed a multifractal geometry. The generalized dimension D q and the singularity spectrum f(α) provided quantitative values that characterize the local scale properties of CL surface geometry at nanometer scale. Surface statistical parameters deduced by multifractal analysis can be used to assess the CL micromorphology and can be used by manufacturers in developing CLs with improved surface characteristics. These parameters can also be used in understanding the tribological interactions of the back surface of the CL with the corneal surface and the front surface of the CL with the under-surface of the eyelid (friction, wear, and micro-elastohydrodynamic lubrication at a nanometer scale).

Muscle Synergies May Improve Optimization Prediction of Knee Contact Forces During Walking

PubMed Central

Walter, Jonathan P.; Kinney, Allison L.; Banks, Scott A.; D'Lima, Darryl D.; Besier, Thor F.; Lloyd, David G.; Fregly, Benjamin J.

2014-01-01

The ability to predict patient-specific joint contact and muscle forces accurately could improve the treatment of walking-related disorders. Muscle synergy analysis, which decomposes a large number of muscle electromyographic (EMG) signals into a small number of synergy control signals, could reduce the dimensionality and thus redundancy of the muscle and contact force prediction process. This study investigated whether use of subject-specific synergy controls can improve optimization prediction of knee contact forces during walking. To generate the predictions, we performed mixed dynamic muscle force optimizations (i.e., inverse skeletal dynamics with forward muscle activation and contraction dynamics) using data collected from a subject implanted with a force-measuring knee replacement. Twelve optimization problems (three cases with four subcases each) that minimized the sum of squares of muscle excitations were formulated to investigate how synergy controls affect knee contact force predictions. The three cases were: (1) Calibrate+Match where muscle model parameter values were calibrated and experimental knee contact forces were simultaneously matched, (2) Precalibrate+Predict where experimental knee contact forces were predicted using precalibrated muscle model parameters values from the first case, and (3) Calibrate+Predict where muscle model parameter values were calibrated and experimental knee contact forces were simultaneously predicted, all while matching inverse dynamic loads at the hip, knee, and ankle. The four subcases used either 44 independent controls or five synergy controls with and without EMG shape tracking. For the Calibrate+Match case, all four subcases closely reproduced the measured medial and lateral knee contact forces (R2 ≥ 0.94, root-mean-square (RMS) error < 66 N), indicating sufficient model fidelity for contact force prediction. For the Precalibrate+Predict and Calibrate+Predict cases, synergy controls yielded better contact force predictions (0.61 < R2 < 0.90, 83 N < RMS error < 161 N) than did independent controls (-0.15 < R2 < 0.79, 124 N < RMS error < 343 N) for corresponding subcases. For independent controls, contact force predictions improved when precalibrated model parameter values or EMG shape tracking was used. For synergy controls, contact force predictions were relatively insensitive to how model parameter values were calibrated, while EMG shape tracking made lateral (but not medial) contact force predictions worse. For the subject and optimization cost function analyzed in this study, use of subject-specific synergy controls improved the accuracy of knee contact force predictions, especially for lateral contact force when EMG shape tracking was omitted, and reduced prediction sensitivity to uncertainties in muscle model parameter values. PMID:24402438

Muscle synergies may improve optimization prediction of knee contact forces during walking.

PubMed

Walter, Jonathan P; Kinney, Allison L; Banks, Scott A; D'Lima, Darryl D; Besier, Thor F; Lloyd, David G; Fregly, Benjamin J

2014-02-01

The ability to predict patient-specific joint contact and muscle forces accurately could improve the treatment of walking-related disorders. Muscle synergy analysis, which decomposes a large number of muscle electromyographic (EMG) signals into a small number of synergy control signals, could reduce the dimensionality and thus redundancy of the muscle and contact force prediction process. This study investigated whether use of subject-specific synergy controls can improve optimization prediction of knee contact forces during walking. To generate the predictions, we performed mixed dynamic muscle force optimizations (i.e., inverse skeletal dynamics with forward muscle activation and contraction dynamics) using data collected from a subject implanted with a force-measuring knee replacement. Twelve optimization problems (three cases with four subcases each) that minimized the sum of squares of muscle excitations were formulated to investigate how synergy controls affect knee contact force predictions. The three cases were: (1) Calibrate+Match where muscle model parameter values were calibrated and experimental knee contact forces were simultaneously matched, (2) Precalibrate+Predict where experimental knee contact forces were predicted using precalibrated muscle model parameters values from the first case, and (3) Calibrate+Predict where muscle model parameter values were calibrated and experimental knee contact forces were simultaneously predicted, all while matching inverse dynamic loads at the hip, knee, and ankle. The four subcases used either 44 independent controls or five synergy controls with and without EMG shape tracking. For the Calibrate+Match case, all four subcases closely reproduced the measured medial and lateral knee contact forces (R2 ≥ 0.94, root-mean-square (RMS) error < 66 N), indicating sufficient model fidelity for contact force prediction. For the Precalibrate+Predict and Calibrate+Predict cases, synergy controls yielded better contact force predictions (0.61 < R2 < 0.90, 83 N < RMS error < 161 N) than did independent controls (-0.15 < R2 < 0.79, 124 N < RMS error < 343 N) for corresponding subcases. For independent controls, contact force predictions improved when precalibrated model parameter values or EMG shape tracking was used. For synergy controls, contact force predictions were relatively insensitive to how model parameter values were calibrated, while EMG shape tracking made lateral (but not medial) contact force predictions worse. For the subject and optimization cost function analyzed in this study, use of subject-specific synergy controls improved the accuracy of knee contact force predictions, especially for lateral contact force when EMG shape tracking was omitted, and reduced prediction sensitivity to uncertainties in muscle model parameter values.

Impedance learning for robotic contact tasks using natural actor-critic algorithm.

PubMed

Kim, Byungchan; Park, Jooyoung; Park, Shinsuk; Kang, Sungchul

2010-04-01

Compared with their robotic counterparts, humans excel at various tasks by using their ability to adaptively modulate arm impedance parameters. This ability allows us to successfully perform contact tasks even in uncertain environments. This paper considers a learning strategy of motor skill for robotic contact tasks based on a human motor control theory and machine learning schemes. Our robot learning method employs impedance control based on the equilibrium point control theory and reinforcement learning to determine the impedance parameters for contact tasks. A recursive least-square filter-based episodic natural actor-critic algorithm is used to find the optimal impedance parameters. The effectiveness of the proposed method was tested through dynamic simulations of various contact tasks. The simulation results demonstrated that the proposed method optimizes the performance of the contact tasks in uncertain conditions of the environment.

Tunneling current noise spectra of biased impurity with a phonon mode

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

Maslova, N. S.; Arseev, P. I.; Mantsevich, V. N., E-mail: vmantsev@gmail.com

We report the results of theoretical investigations of the tunneling current noise spectra through a single-level impurity both in the presence and in the absence of electron–phonon interaction based on the nonequilibrium Green’s functions formalism. We show that due to the quantum nature of tunneling, the Fano factor is dramatically different from the Poisson limit both in the presence and in the absence of inelastic processes. The results are demonstrated to be sensitive to the tunneling contact parameters.

Genome-wide maps of nuclear lamina interactions in single human cells.

PubMed

Kind, Jop; Pagie, Ludo; de Vries, Sandra S; Nahidiazar, Leila; Dey, Siddharth S; Bienko, Magda; Zhan, Ye; Lajoie, Bryan; de Graaf, Carolyn A; Amendola, Mario; Fudenberg, Geoffrey; Imakaev, Maxim; Mirny, Leonid A; Jalink, Kees; Dekker, Job; van Oudenaarden, Alexander; van Steensel, Bas

2015-09-24

Mammalian interphase chromosomes interact with the nuclear lamina (NL) through hundreds of large lamina-associated domains (LADs). We report a method to map NL contacts genome-wide in single human cells. Analysis of nearly 400 maps reveals a core architecture consisting of gene-poor LADs that contact the NL with high cell-to-cell consistency, interspersed by LADs with more variable NL interactions. The variable contacts tend to be cell-type specific and are more sensitive to changes in genome ploidy than the consistent contacts. Single-cell maps indicate that NL contacts involve multivalent interactions over hundreds of kilobases. Moreover, we observe extensive intra-chromosomal coordination of NL contacts, even over tens of megabases. Such coordinated loci exhibit preferential interactions as detected by Hi-C. Finally, the consistency of NL contacts is inversely linked to gene activity in single cells and correlates positively with the heterochromatic histone modification H3K9me3. These results highlight fundamental principles of single-cell chromatin organization. VIDEO ABSTRACT. Copyright © 2015 Elsevier Inc. All rights reserved.

van der Waals interaction between a moving nano-cylinder and a liquid thin film.

PubMed

Ledesma-Alonso, René; Raphaël, Elie; Salez, Thomas; Tordjeman, Philippe; Legendre, Dominique

2017-05-24

We study the static and dynamic interaction between a horizontal cylindrical nano-probe and a thin liquid film. The effects of the physical and geometrical parameters, with a special focus on the film thickness, the probe speed, and the distance between the probe and the free surface are analyzed. Deformation profiles have been computed numerically from a Reynolds lubrication equation, coupled to a modified Young-Laplace equation, which takes into account the probe/liquid and the liquid/substrate non-retarded van der Waals interactions. We have found that the film thickness and the probe speed have a significant effect on the threshold separation distance below which the jump-to-contact instability is triggered. These results encourage the use of horizontal cylindrical nano-probes to scan thin liquid films, in order to determine either the physical or geometrical properties of the latter, through the measurement of interaction forces.

The Study the Vibration Condition of the Blade of the Gas Turbine Engine with an All-metal Wire Rope Damper in the Area Mount of the Blade to the Disk

NASA Astrophysics Data System (ADS)

Melentjev, Vladimir S.; Gvozdev, Alexander S.

2018-01-01

Improving the reliability of modern turbine engines is actual task. This is achieved due to prevent a vibration damage of the operating blades. On the department of structure and design of aircraft engines have accumulated a lot of experimental data on the protection of the blades of the gas turbine engine from a vibration. In this paper we proposed a method for calculating the characteristics of wire rope dampers in the root attachment of blade of a gas turbine engine. The method is based on the use of the finite element method and transient analysis. Contact interaction (Lagrange-Euler method) between the compressor blade and the disc of the rotor has been taken into account. Contribution of contact interaction between details in damping of the system was measured. The proposed method provides a convenient way for the iterative selection of the required parameters the wire rope elastic-damping element. This element is able to provide the necessary protection from the vibration for the blade of a gas turbine engine.

Contact processes with competitive dynamics in bipartite lattices: effects of distinct interactions

NASA Astrophysics Data System (ADS)

Pianegonda, Salete; Fiore, Carlos E.

2014-05-01

The two-dimensional contact process (CP) with a competitive dynamics proposed by Martins et al (2011 Phys. Rev. E 84 011125) leads to the appearance of an unusual active-asymmetric phase, in which the system sublattices are unequally populated. It differs from the usual CP only by the fact that particles also interact with their next-nearest neighbor sites via a distinct strength creation rate, and for the inclusion of an inhibition effect, proportional to the local density. Aimed at investigating the robustness of such an asymmetric phase, in this paper we study the influence of distinct interactions for two bidimensional CPs. In the first model, the interaction between first neighbors requires a minimal neighborhood of adjacent particles for creating new offspring, whereas second neighbors interact as usual (e.g. at least one neighboring particle is required). The second model takes the opposite situation, in which the restrictive dynamics is in the interaction between next-nearest neighbor sites. Both models are investigated under mean field theory (MFT) and Monte Carlo simulations. In similarity with results by Martins et al, the inclusion of distinct sublattice interactions maintains the occurrence of an asymmetric active phase and re-entrant transition lines. In contrast, remarkable differences are presented, such as discontinuous phase transitions (even between the active phases), the appearance of tricritical points and the stabilization of active phases under larger values of control parameters. Finally, we have shown that the critical behaviors are not altered due to the change of interactions, in which the absorbing transitions belong to the directed percolation (DP) universality class, whereas second-order active phase transitions belong to the Ising universality class.

Predicting helix–helix interactions from residue contacts in membrane proteins

PubMed Central

Lo, Allan; Chiu, Yi-Yuan; Rødland, Einar Andreas; Lyu, Ping-Chiang; Sung, Ting-Yi; Hsu, Wen-Lian

2009-01-01

Motivation: Helix–helix interactions play a critical role in the structure assembly, stability and function of membrane proteins. On the molecular level, the interactions are mediated by one or more residue contacts. Although previous studies focused on helix-packing patterns and sequence motifs, few of them developed methods specifically for contact prediction. Results: We present a new hierarchical framework for contact prediction, with an application in membrane proteins. The hierarchical scheme consists of two levels: in the first level, contact residues are predicted from the sequence and their pairing relationships are further predicted in the second level. Statistical analyses on contact propensities are combined with other sequence and structural information for training the support vector machine classifiers. Evaluated on 52 protein chains using leave-one-out cross validation (LOOCV) and an independent test set of 14 protein chains, the two-level approach consistently improves the conventional direct approach in prediction accuracy, with 80% reduction of input for prediction. Furthermore, the predicted contacts are then used to infer interactions between pairs of helices. When at least three predicted contacts are required for an inferred interaction, the accuracy, sensitivity and specificity are 56%, 40% and 89%, respectively. Our results demonstrate that a hierarchical framework can be applied to eliminate false positives (FP) while reducing computational complexity in predicting contacts. Together with the estimated contact propensities, this method can be used to gain insights into helix-packing in membrane proteins. Availability: http://bio-cluster.iis.sinica.edu.tw/TMhit/ Contact: tsung@iis.sinica.edu.tw Supplementary information:Supplementary data are available at Bioinformatics online. PMID:19244388

Does seaweed-coral competition make seaweeds more palatable?

NASA Astrophysics Data System (ADS)

Longo, G. O.; Hay, M. E.

2015-03-01

Seaweed-coral interactions are increasingly common on modern coral reefs, but the dynamics, processes, and mechanisms affecting these interactions are inadequately understood. We investigated the frequency and effect of seaweed-coral contacts for common seaweeds and corals in Belize. Effects on corals were evaluated by measuring the frequency and extent of bleaching when contacted by various seaweeds, and effects on a common seaweed were evaluated by assessing whether contact with coral made the seaweed more palatable to the sea urchin Diadema antillarum. Coral-seaweed contacts were particularly frequent between Agaricia corals and the seaweed Halimeda opuntia, with this interaction being associated with coral bleaching in 95 % of contacts. Pooling across all coral species, H. opuntia was the seaweed most commonly contacting corals and most frequently associated with localized bleaching at the point of contact. Articulated coralline algae, Halimeda tuna and Lobophora variegata also frequently contacted corals and were commonly associated with bleaching. The common corals Agaricia and Porites bleached with similar frequency when contacted by H. opuntia (95 and 90 %, respectively), but Agaricia experienced more damage than Porites when contacted by articulated coralline algae or H. tuna. When spatially paired individuals of H. opuntia that had been in contact with Agaricia and not in contact with any coral were collected from the reefs and offered to D. antillarum, urchins consumed about 150 % more of thalli that had been competing with Agaricia. Contact and non-contact thalli did not differ in nutritional traits (ash-free-dry-mass, C or N concentrations), suggesting that Halimeda chemical defenses may have been compromised by coral-algal contact. If competition with corals commonly enhances seaweed palatability, then the dynamics and nuances of small-scale seaweed-coral-herbivore interactions at coral edges are deserving of greater attention in that such interactions could scale-up to have important consequences for coral resilience and the persistence of reef structure and function.

Arrested of coalescence of emulsion droplets of arbitrary size

NASA Astrophysics Data System (ADS)

Mbanga, Badel L.; Burke, Christopher; Blair, Donald W.; Atherton, Timothy J.

2013-03-01

With applications ranging from food products to cosmetics via targeted drug delivery systems, structured anisotropic colloids provide an efficient way to control the structure, properties and functions of emulsions. When two fluid emulsion droplets are brought in contact, a reduction of the interfacial tension drives their coalescence into a larger droplet of the same total volume and reduced exposed area. This coalescence can be partially or totally hindered by the presence of nano or micron-size particles that coat the interface as in Pickering emulsions. We investigate numerically the dependance of the mechanical stability of these arrested shapes on the particles size, their shape anisotropy, their polydispersity, their interaction with the solvent, and the particle-particle interactions. We discuss structural shape changes that can be induced by tuning the particles interactions after arrest occurs, and provide design parameters for the relevant experiments.

Modeling, investigation and formulation of hydrophobic coatings for potential self-cleaning applications

NASA Astrophysics Data System (ADS)

Rios, Pablo Fabian

Self-cleaning surfaces have received a great deal of attention, both in research and commercial applications. Transparent and non-transparent self-cleaning surfaces are highly desired. The Lotus flower is a symbol of purity in Asian cultures, even when rising from muddy waters it stays clean and untouched by dirt. The Lotus leaf "self-cleaning" surface is hydrophobic and rough, showing a two-layer morphology. While hydrophobicity produces a high contact angle, surface morphology reduces the adhesion of dirt and water to the surface, thus water drops slide easily across the leaf carrying the dirt particles with them. Nature example in the Lotus-effect and extensive scientific research on related fields have rooted wide acceptance that high hydrophobicity can be obtained only by a proper combination of surface chemistry and roughness. Most researchers relate hydrophobicity to a high contact angle. However, the contact angle is not the only parameter that defines liquid-solid interactions. An additional parameter, the sliding angle, related to the adhesion between the liquid drop and the solid surface is also important in cases where liquid sliding is involved, such as self-cleaning applications. In this work, it is postulated that wetting which is related to the contact angle, and interfacial adhesion, which is related to the sliding angle, are interdependent phenomena and have to be considered simultaneously. A variety of models that relate the sliding angle to forces developed along the contact line between a liquid drop and a solid surface have been proposed in the literature. A new model is proposed here that quantifies the drop sliding phenomenon, based also on the interfacial adhesion across the contact area of the liquid/solid interface. The effects of roughness and chemical composition on the contact and sliding angles of hydrophobic smooth and rough surfaces were studied theoretically and experimentally. The validity of the proposed model was investigated and compared with the existing models. Ultra-hydrophobic non-transparent and transparent coatings for potential self-cleaning applications were produced using hydrophobic chemistry and different configurations of roughening micro and nano-particles, however they present low adhesion and durability. Durability and stability enhancement of such coatings was attempted and improved by different methods.

Drop rebound after impact: the role of the receding contact angle.

PubMed

Antonini, C; Villa, F; Bernagozzi, I; Amirfazli, A; Marengo, M

2013-12-31

Data from the literature suggest that the rebound of a drop from a surface can be achieved when the wettability is low, i.e., when contact angles, measured at the triple line (solid-liquid-air), are high. However, no clear criterion exists to predict when a drop will rebound from a surface and which is the key wetting parameter to govern drop rebound (e.g., the "equilibrium" contact angle, θeq, the advancing and the receding contact angles, θA and θR, respectively, the contact angle hysteresis, Δθ, or any combination of these parameters). To clarify the conditions for drop rebound, we conducted experimental tests on different dry solid surfaces with variable wettability, from hydrophobic to superhydrophobic surfaces, with advancing contact angles 108° < θA < 169° and receding contact angles 89° < θR < 161°. It was found that the receding contact angle is the key wetting parameter that influences drop rebound, along with surface hydrophobicity: for the investigated impact conditions (drop diameter 2.4 < D0 < 2.6 mm, impact speed 0.8 < V < 4.1 m/s, Weber number 25 < We < 585), rebound was observed only on surfaces with receding contact angles higher than 100°. Also, the drop rebound time decreased by increasing the receding contact angle. It was also shown that in general care must be taken when using statically defined wetting parameters (such as advancing and receding contact angles) to predict the dynamic behavior of a liquid on a solid surface because the dynamics of the phenomenon may affect surface wetting close to the impact point (e.g., as a result of the transition from the Cassie-Baxter to Wenzel state in the case of the so-called superhydrophobic surfaces) and thus affect the drop rebound.

A model to non-uniform Ni Schottky contact on SiC annealed at elevated temperatures

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

Pristavu, G.; Brezeanu, G.; Badila, M.

2015-06-29

Ni Schottky contacts on SiC have a nonideal behavior, with strong temperature dependence of the electrical parameters, caused by a mixed barrier on the contact area and interface states. A simple analytical model that establishes a quantitative correlation between Schottky contact parameter variation with temperature and barrier height non-uniformity is proposed. A Schottky contact surface with double Schottky barrier is considered. The main model parameters are the lower barrier (Φ{sub Bn,l}) and a p factor which quantitatively evaluates the barrier non-uniformity on the Schottky contact area. The model is validated on Ni/4H-SiC Schottky contacts, post metallization sintered at high temperatures.more » The measured I{sub F}–V{sub F}–T characteristics, selected so as not to be affected by interface states, were used for model correlation. An inhomogeneous double Schottky barrier (with both nickel silicide and Ni droplets at the interface) is formed by a rapid thermal annealing (RTA) at 750 °C. High values of the p parameter are obtained from samples annealed at this temperature, using the proposed model. A significant improvement in the electrical properties occurs following RTA at 800 °C. The expansion of the Ni{sub 2}Si phase on the whole contact area is evinced by an X-Ray diffraction investigation. In this case, the p factor is much lower, attesting the uniformity of the contact. The model makes it possible to evaluate the real Schottky barrier, for a homogenous Schottky contact. Using data measured on samples annealed at 800 °C, a true barrier height of around 1.73 V has been obtained for Ni{sub 2}Si/4H-SiC Schottky contacts.« less

The ER Contact Proteins VAPA/B Interact with Multiple Autophagy Proteins to Modulate Autophagosome Biogenesis.

PubMed

Zhao, Yan G; Liu, Nan; Miao, Guangyan; Chen, Yong; Zhao, Hongyu; Zhang, Hong

2018-04-23

The endoplasmic reticulum (ER) is the site of biogenesis of the isolation membrane (IM, autophagosome precursor) and forms extensive contacts with IMs during their expansion into double-membrane autophagosomes. Little is known about the molecular mechanism underlying the formation and/or maintenance of the ER/IM contact. The integral ER proteins VAPA and VAPB (VAPs) participate in establishing ER contacts with multiple membranes by interacting with different tethers. Here, we demonstrate that VAPs also modulate ER/IM contact formation. Depletion of VAPs impairs progression of IMs into autophagosomes. Upon autophagy induction, VAPs are recruited to autophagosome formation sites on the ER, a process mediated by their interactions with FIP200 and PI(3)P. VAPs directly interact with FIP200 and ULK1 through their conserved FFAT motifs and stabilize the ULK1/FIP200 complex at the autophagosome formation sites on the ER. The formation of ULK1 puncta is significantly reduced by VAPA/B depletion. VAPs also interact with WIPI2 and enhance the formation of the WIPI2/FIP200 ER/IM tethering complex. Depletion of VMP1, which increases the ER/IM contact, greatly elevates the interaction of VAPs with these autophagy proteins. The VAPB P56S mutation, which is associated with amyotrophic lateral sclerosis, reduces the ULK1/FIP200 interaction and impairs autophagy at an early step, similar to the effect seen in VAPA/B-depleted cells. Our study reveals that VAPs directly interact with multiple ATG proteins, thereby contributing to ER/IM contact formation for autophagosome biogenesis. Copyright © 2018 Elsevier Ltd. All rights reserved.

Structural Interface Parameters Are Discriminatory in Recognising Near-Native Poses of Protein-Protein Interactions

PubMed Central

Malhotra, Sony; Sankar, Kannan; Sowdhamini, Ramanathan

2014-01-01

Interactions at the molecular level in the cellular environment play a very crucial role in maintaining the physiological functioning of the cell. These molecular interactions exist at varied levels viz. protein-protein interactions, protein-nucleic acid interactions or protein-small molecules interactions. Presently in the field, these interactions and their mechanisms mark intensively studied areas. Molecular interactions can also be studied computationally using the approach named as Molecular Docking. Molecular docking employs search algorithms to predict the possible conformations for interacting partners and then calculates interaction energies. However, docking proposes number of solutions as different docked poses and hence offers a serious challenge to identify the native (or near native) structures from the pool of these docked poses. Here, we propose a rigorous scoring scheme called DockScore which can be used to rank the docked poses and identify the best docked pose out of many as proposed by docking algorithm employed. The scoring identifies the optimal interactions between the two protein partners utilising various features of the putative interface like area, short contacts, conservation, spatial clustering and the presence of positively charged and hydrophobic residues. DockScore was first trained on a set of 30 protein-protein complexes to determine the weights for different parameters. Subsequently, we tested the scoring scheme on 30 different protein-protein complexes and native or near-native structure were assigned the top rank from a pool of docked poses in 26 of the tested cases. We tested the ability of DockScore to discriminate likely dimer interactions that differ substantially within a homologous family and also demonstrate that DOCKSCORE can distinguish correct pose for all 10 recent CAPRI targets. PMID:24498255

Structural interface parameters are discriminatory in recognising near-native poses of protein-protein interactions.

PubMed

Malhotra, Sony; Sankar, Kannan; Sowdhamini, Ramanathan

2014-01-01

Interactions at the molecular level in the cellular environment play a very crucial role in maintaining the physiological functioning of the cell. These molecular interactions exist at varied levels viz. protein-protein interactions, protein-nucleic acid interactions or protein-small molecules interactions. Presently in the field, these interactions and their mechanisms mark intensively studied areas. Molecular interactions can also be studied computationally using the approach named as Molecular Docking. Molecular docking employs search algorithms to predict the possible conformations for interacting partners and then calculates interaction energies. However, docking proposes number of solutions as different docked poses and hence offers a serious challenge to identify the native (or near native) structures from the pool of these docked poses. Here, we propose a rigorous scoring scheme called DockScore which can be used to rank the docked poses and identify the best docked pose out of many as proposed by docking algorithm employed. The scoring identifies the optimal interactions between the two protein partners utilising various features of the putative interface like area, short contacts, conservation, spatial clustering and the presence of positively charged and hydrophobic residues. DockScore was first trained on a set of 30 protein-protein complexes to determine the weights for different parameters. Subsequently, we tested the scoring scheme on 30 different protein-protein complexes and native or near-native structure were assigned the top rank from a pool of docked poses in 26 of the tested cases. We tested the ability of DockScore to discriminate likely dimer interactions that differ substantially within a homologous family and also demonstrate that DOCKSCORE can distinguish correct pose for all 10 recent CAPRI targets.

Attraction between Opposing Planar Dipolar Polymer Brushes

DOE PAGES

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

2017-08-01

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

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

Mahalik, J. P.; Sumpter, Bobby G.; Kumar, Rajeev

In this paper, we use a field theory approach to study the effects of permanent dipoles on interpenetration and free energy changes as a function of distance between two identical planar polymer brushes. Melts (i.e., solvent-free) and solvated brushes made up of polymers grafted on nonadsorbing substrates are studied. In particular, the weak coupling limit of the dipolar interactions is considered, which leads to concentration-dependent pairwise interactions, and the effects of orientational order are neglected. It is predicted that a gradual increase in the dipole moment of the polymer segments can lead to attractive interactions between the brushes at intermediatemore » separation distances. Finally, because classical theory of polymer brushes based on the strong stretching limit (SSL) and the standard self-consistent field theory (SCFT) simulations using the Flory’s χ parameter always predicts repulsive interactions at all separations, our work highlights the importance of dipolar interactions in tailoring and accurately predicting forces between polar polymeric interfaces in contact with each other.« less

Impact of preventive responses to epidemics in rural regions.

PubMed

Schumm, Phillip; Schumm, Walter; Scoglio, Caterina

2013-01-01

Various epidemics have arisen in rural locations through human-animal interaction, such as the H1N1 outbreak of 2009. Through collaboration with local government officials, we have surveyed a rural county and its communities and collected a dataset characterizing the rural population. From the respondents' answers, we build a social (face-to-face) contact network. With this network, we explore the potential spread of epidemics through a Susceptible-Latent-Infected-Recovered (SLIR) disease model. We simulate an exact model of a stochastic SLIR Poisson process with disease parameters representing a typical influenza-like illness. We test vaccine distribution strategies under limited resources. We examine global and location-based distribution strategies, as a way to reach critical individuals in the rural setting. We demonstrate that locations can be identified through contact metrics for use in vaccination strategies to control contagious diseases.

Subharmonic Oscillations and Chaos in Dynamic Atomic Force Microscopy

NASA Technical Reports Server (NTRS)

Cantrell, John H.; Cantrell, Sean A.

2015-01-01

The increasing use of dynamic atomic force microscopy (d-AFM) for nanoscale materials characterization calls for a deeper understanding of the cantilever dynamics influencing scan stability, predictability, and image quality. Model development is critical to such understanding. Renormalization of the equations governing d- AFM provides a simple interpretation of cantilever dynamics as a single spring and mass system with frequency dependent cantilever stiffness and damping parameters. The renormalized model is sufficiently robust to predict the experimentally observed splitting of the free-space cantilever resonance into multiple resonances upon cantilever-sample contact. Central to the model is the representation of the cantilever sample interaction force as a polynomial expansion with coefficients F(sub ij) (i,j = 0, 1, 2) that account for the effective interaction stiffness parameter, the cantilever-to-sample energy transfer, and the amplitude of cantilever oscillation. Application of the Melnikov method to the model equation is shown to predict a homoclinic bifurcation of the Smale horseshoe type leading to a cascade of period doublings with increasing drive displacement amplitude culminating in chaos and loss of image quality. The threshold value of the drive displacement amplitude necessary to initiate subharmonic generation depends on the acoustic drive frequency, the effective damping coefficient, and the nonlinearity of the cantilever-sample interaction force. For parameter values leading to displacement amplitudes below threshold for homoclinic bifurcation other bifurcation scenarios can occur, some of which lead to chaos.

Differentiation of Wines Treated with Wood Chips Based on Their Phenolic Content, Volatile Composition, and Sensory Parameters.

PubMed

Kyraleou, Maria; Kallithraka, Stamatina; Chira, Kleopatra; Tzanakouli, Eleni; Ligas, Ioannis; Kotseridis, Yorgos

2015-12-01

The effects of both wood chips addition and contact time on phenolic content, volatile composition, color parameters, and organoleptic character of red wine made by a native Greek variety (Agiorgitiko) were evaluated. For this purpose, chips from American, French, Slavonia oak, and Acacia were added in the wine after fermentation. A mixture consisting of 50% French and 50% Americal oak chips was also evaluated. In an attempt to categorize wine samples, various chemical parameters of wines and sensory parameters were studied after 1, 2, and 3 mo of contact time with chips. The results showed that regardless of the type of wood chips added in the wines, it was possible to differentiate the samples according to the contact time based on their phenolic composition and color parameters. In addition, wood-extracted volatile compounds seem to be the critical parameter that could separate the samples according to the wood type. The wines that were in contact with Acacia and Slavonia chips could be separated from the rest mainly due to their distinct sensory characters. © 2015 Institute of Food Technologists®

Transfer of dipolar gas through the discrete localized mode.

PubMed

Bai, Xiao-Dong; Zhang, Ai-Xia; Xue, Ju-Kui

2013-12-01

By considering the discrete nonlinear Schrödinger model with dipole-dipole interactions for dipolar condensate, the existence, the types, the stability, and the dynamics of the localized modes in a nonlinear lattice are discussed. It is found that the contact interaction and the dipole-dipole interactions play important roles in determining the existence, the type, and the stability of the localized modes. Because of the coupled effects of the contact interaction and the dipole-dipole interactions, rich localized modes and their stability nature can exist: when the contact interaction is larger and the dipole-dipole interactions is smaller, a discrete bright breather occurs. In this case, while the on-site interaction can stabilize the discrete breather, the dipole-dipole interactions will destabilize the discrete breather; when both the contact interaction and the dipole-dipole interactions are larger, a discrete kink appears. In this case, both the on-site interaction and the dipole-dipole interactions can stabilize the discrete kink, but the discrete kink is more unstable than the ordinary discrete breather. The predicted results provide a deep insight into the dynamics of blocking, filtering, and transfer of the norm in nonlinear lattices for dipolar condensates.

Social contact patterns can buffer costs of forgetting in the evolution of cooperation.

PubMed

Stevens, Jeffrey R; Woike, Jan K; Schooler, Lael J; Lindner, Stefan; Pachur, Thorsten

2018-06-13

Analyses of the evolution of cooperation often rely on two simplifying assumptions: (i) individuals interact equally frequently with all social network members and (ii) they accurately remember each partner's past cooperation or defection. Here, we examine how more realistic, skewed patterns of contact-in which individuals interact primarily with only a subset of their network's members-influence cooperation. In addition, we test whether skewed contact patterns can counteract the decrease in cooperation caused by memory errors (i.e. forgetting). Finally, we compare two types of memory error that vary in whether forgotten interactions are replaced with random actions or with actions from previous encounters. We use evolutionary simulations of repeated prisoner's dilemma games that vary agents' contact patterns, forgetting rates and types of memory error. We find that highly skewed contact patterns foster cooperation and also buffer the detrimental effects of forgetting. The type of memory error used also influences cooperation rates. Our findings reveal previously neglected but important roles of contact pattern, type of memory error and the interaction of contact pattern and memory on cooperation. Although cognitive limitations may constrain the evolution of cooperation, social contact patterns can counteract some of these constraints. © 2018 The Author(s).

Competing phases, phase separation, and coexistence in the extended one-dimensional bosonic Hubbard model

DOE PAGES

Batrouni, G. G.; Rousseau, V. G.; Scalettar, R. T.; ...

2014-11-17

Here, we study the phase diagram of the one-dimensional bosonic Hubbard model with contact (U) and near neighbor (V ) interactions focusing on the gapped Haldane insulating (HI) phase which is characterized by an exotic nonlocal order parameter. The parameter regime (U, V and μ) where this phase exists and how it competes with other phases such as the supersolid (SS) phase, is incompletely understood. We use the Stochastic Green Function quantum Monte Carlo algorithm as well as the density matrix renormalization group to map out the phase diagram. The HI exists only at = 1, the SS phase existsmore » for a very wide range of parameters (including commensurate fillings) and displays power law decay in the one body Green function were our main conclusions. Additionally, we show that at fixed integer density, the system exhibits phase separation in the (U, V ) plane.« less

Catalytic aided electrical discharge machining of polycrystalline diamond - parameter analysis of finishing condition

NASA Astrophysics Data System (ADS)

Haikal Ahmad, M. A.; Zulafif Rahim, M.; Fauzi, M. F. Mohd; Abdullah, Aslam; Omar, Z.; Ding, Songlin; Ismail, A. E.; Rasidi Ibrahim, M.

2018-01-01

Polycrystalline diamond (PCD) is regarded as among the hardest material in the world. Electrical Discharge Machining (EDM) typically used to machine this material because of its non-contact process nature. This investigation was purposely done to compare the EDM performances of PCD when using normal electrode of copper (Cu) and newly proposed graphitization catalyst electrode of copper nickel (CuNi). Two level full factorial design of experiment with 4 center points technique was used to study the influence of main and interaction effects of the machining parameter namely; pulse-on, pulse-off, sparking current, and electrode materials (categorical factor). The paper shows interesting discovery in which the newly proposed electrode presented positive impact to the machining performance. With the same machining parameters of finishing, CuNi delivered more than 100% better in Ra and MRR than ordinary Cu electrode.

Search for contact interactions in dimuon events from pp collisions at √s=7 TeV with the ATLAS detector

DOE PAGES

Aad, G.; Abbott, B.; Abdallah, J.; ...

2011-07-01

A search for contact interactions has been performed using dimuon events recorded with the ATLAS detector in proton-proton collisions at √s=7 TeV. The data sample corresponds to an integrated luminosity of 42 pb⁻¹. No significant deviation from the standard model is observed in the dimuon mass spectrum, allowing the following 95% C.L. limits to be set on the energy scale of contact interactions: Λ>4.9 TeV (4.5 TeV) for constructive (destructive) interference in the left-left isoscalar compositeness model. These limits are the most stringent to date for μμqq contact interactions.

Search for contact interactions in dimuon events from pp collisions at s=7TeV with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aad, G.; Abbott, B.; Abdallah, J.; Abdelalim, A. A.; Abdesselam, A.; Abdinov, O.; Abi, B.; Abolins, M.; Abramowicz, H.; Abreu, H.; Acerbi, E.; Acharya, B. S.; Adams, D. L.; Addy, T. N.; Adelman, J.; Aderholz, M.; Adomeit, S.; Adragna, P.; Adye, T.; Aefsky, S.; Aguilar-Saavedra, J. A.; Aharrouche, M.; Ahlen, S. P.; Ahles, F.; Ahmad, A.; Ahsan, M.; Aielli, G.; Akdogan, T.; Åkesson, T. P. A.; Akimoto, G.; Akimov, A. V.; Akiyama, A.; Alam, M. S.; Alam, M. A.; Albrand, S.; Aleksa, M.; Aleksandrov, I. N.; Alessandria, F.; Alexa, C.; Alexander, G.; Alexandre, G.; Alexopoulos, T.; Alhroob, M.; Aliev, M.; Alimonti, G.; Alison, J.; Aliyev, M.; Allport, P. P.; Allwood-Spiers, S. E.; Almond, J.; Aloisio, A.; Alon, R.; Alonso, A.; Alviggi, M. G.; Amako, K.; Amaral, P.; Amelung, C.; Ammosov, V. V.; Amorim, A.; Amorós, G.; Amram, N.; Anastopoulos, C.; Andeen, T.; Anders, C. F.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Andrieux, M.-L.; Anduaga, X. S.; Angerami, A.; Anghinolfi, F.; Anjos, N.; Annovi, A.; Antonaki, A.; Antonelli, M.; Antonelli, S.; Antonov, A.; Antos, J.; Anulli, F.; Aoun, S.; Aperio Bella, L.; Apolle, R.; Arabidze, G.; Aracena, I.; Arai, Y.; Arce, A. T. H.; Archambault, J. P.; Arfaoui, S.; Arguin, J.-F.; Arik, E.; Arik, M.; Armbruster, A. J.; Arnaez, O.; Arnault, C.; Artamonov, A.; Artoni, G.; Arutinov, D.; Asai, S.; Asfandiyarov, R.; Ask, S.; Åsman, B.; Asquith, L.; Assamagan, K.; Astbury, A.; Astvatsatourov, A.; Atoian, G.; Aubert, B.; Auerbach, B.; Auge, E.; Augsten, K.; Aurousseau, M.; Austin, N.; Avramidou, R.; Axen, D.; Ay, C.; Azuelos, G.; Azuma, Y.; Baak, M. A.; Baccaglioni, G.; Bacci, C.; Bach, A. M.; Bachacou, H.; Bachas, K.; Bachy, G.; Backes, M.; Backhaus, M.; Badescu, E.; Bagnaia, P.; Bahinipati, S.; Bai, Y.; Bailey, D. C.; Bain, T.; Baines, J. T.; Baker, O. K.; Baker, M. 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B.; Savard, P.; Savinov, V.; Savu, D. O.; Savva, P.; Sawyer, L.; Saxon, D. H.; Says, L. P.; Sbarra, C.; Sbrizzi, A.; Scallon, O.; Scannicchio, D. A.; Schaarschmidt, J.; Schacht, P.; Schäfer, U.; Schaepe, S.; Schaetzel, S.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Schamov, A. G.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Scherzer, M. I.; Schiavi, C.; Schieck, J.; Schioppa, M.; Schlenker, S.; Schlereth, J. L.; Schmidt, E.; Schmidt, M. P.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, M.; Schöning, A.; Schott, M.; Schouten, D.; Schovancova, J.; Schram, M.; Schroeder, C.; Schroer, N.; Schuh, S.; Schuler, G.; Schultes, J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, J. W.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwanenberger, C.; Schwartzman, A.; Schwemling, Ph.; Schwienhorst, R.; Schwierz, R.; Schwindling, J.; Scott, W. G.; Searcy, J.; Sedykh, E.; Segura, E.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Seliverstov, D. M.; Sellden, B.; Sellers, G.; Seman, M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Seuster, R.; Severini, H.; Sevior, M. E.; Sfyrla, A.; Shabalina, E.; Shamim, M.; Shan, L. Y.; Shank, J. T.; Shao, Q. T.; Shapiro, M.; Shatalov, P. B.; Shaver, L.; Shaw, C.; Shaw, K.; Sherman, D.; Sherwood, P.; Shibata, A.; Shimizu, S.; Shimojima, M.; Shin, T.; Shmeleva, A.; Shochet, M. J.; Short, D.; Shupe, M. A.; Sicho, P.; Sidoti, A.; Siebel, A.; Siegert, F.; Siegrist, J.; Sijacki, Dj.; Silbert, O.; Silva, J.; Silver, Y.; Silverstein, D.; Silverstein, S. B.; Simak, V.; Simard, O.; Simic, Lj.; Simion, S.; Simmons, B.; Simonyan, M.; Sinervo, P.; Sinev, N. B.; Sipica, V.; Siragusa, G.; Sisakyan, A. N.; Sivoklokov, S. Yu.; Sjölin, J.; Sjursen, T. B.; Skinnari, L. A.; Skovpen, K.; Skubic, P.; Skvorodnev, N.; Slater, M.; Slavicek, T.; Sliwa, K.; Sloan, T. J.; Sloper, J.; Smakhtin, V.; Smirnov, S. Yu.; Smirnova, L. N.; Smirnova, O.; Smith, B. C.; Smith, D.; Smith, K. M.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snow, S. W.; Snow, J.; Snuverink, J.; Snyder, S.; Soares, M.; Sobie, R.; Sodomka, J.; Soffer, A.; Solans, C. A.; Solar, M.; Solc, J.; Soldatov, E.; Soldevila, U.; Solfaroli Camillocci, E.; Solodkov, A. A.; Solovyanov, O. V.; Sondericker, J.; Soni, N.; Sopko, V.; Sopko, B.; Sorbi, M.; Sosebee, M.; Soukharev, A.; Spagnolo, S.; Spanò, F.; Spighi, R.; Spigo, G.; Spila, F.; Spiriti, E.; Spiwoks, R.; Spousta, M.; Spreitzer, T.; Spurlock, B.; St. Denis, R. D.; Stahl, T.; Stahlman, J.; Stamen, R.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stapnes, S.; Starchenko, E. A.; Stark, J.; Staroba, P.; Starovoitov, P.; Staude, A.; Stavina, P.; Stavropoulos, G.; Steele, G.; Steinbach, P.; Steinberg, P.; Stekl, I.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stevenson, K.; Stewart, G. A.; Stillings, J. A.; Stockmanns, T.; Stockton, M. C.; Stoerig, K.; Stoicea, G.; Stonjek, S.; Strachota, P.; Stradling, A. R.; Straessner, A.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strang, M.; Strauss, E.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Strong, J. A.; Stroynowski, R.; Strube, J.; Stugu, B.; Stumer, I.; Stupak, J.; Sturm, P.; Soh, D. A.; Su, D.; Subramania, Hs.; Succurro, A.; Sugaya, Y.; Sugimoto, T.; Suhr, C.; Suita, K.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Sushkov, S.; Susinno, G.; Sutton, M. R.; Suzuki, Y.; Svatos, M.; Sviridov, Yu. M.; Swedish, S.; Sykora, I.; Sykora, T.; Szeless, B.; Sánchez, J.; Ta, D.; Tackmann, K.; Taffard, A.; Tafirout, R.; Taga, A.; Taiblum, N.; Takahashi, Y.; Takai, H.; Takashima, R.; Takeda, H.; Takeshita, T.; Talby, M.; Talyshev, A.; Tamsett, M. C.; Tanaka, J.; Tanaka, R.; Tanaka, S.; Tanaka, S.; Tanaka, Y.; Tani, K.; Tannoury, N.; Tappern, G. P.; Tapprogge, S.; Tardif, D.; Tarem, S.; Tarrade, F.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tassi, E.; Tatarkhanov, M.; Taylor, C.; Taylor, F. E.; Taylor, G. N.; Taylor, W.; Teixeira Dias Castanheira, M.; Teixeira-Dias, P.; Temming, K. K.; Ten Kate, H.; Teng, P. K.; Terada, S.; Terashi, K.; Terron, J.; Terwort, M.; Testa, M.; Teuscher, R. J.; Thadome, J.; Therhaag, J.; Theveneaux-Pelzer, T.; Thioye, M.; Thoma, S.; Thomas, J. P.; Thompson, E. N.; Thompson, P. D.; Thompson, P. D.; Thompson, A. S.; Thomson, E.; Thomson, M.; Thun, R. P.; Tic, T.; Tikhomirov, V. O.; Tikhonov, Y. A.; Timmermans, C. J. W. P.; Tipton, P.; Tique Aires Viegas, F. J.; Tisserant, S.; Tobias, J.; Toczek, B.; Todorov, T.; Todorova-Nova, S.; Toggerson, B.; Tojo, J.; Tokár, S.; Tokunaga, K.; Tokushuku, K.; Tollefson, K.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, G.; Tonoyan, A.; Topfel, C.; Topilin, N. D.; Torchiani, I.; Torrence, E.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Traynor, D.; Trefzger, T.; Treis, J.; Tremblet, L.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Trinh, T. N.; Tripiana, M. F.; Triplett, N.; Trischuk, W.; Trivedi, A.; Trocmé, B.; Troncon, C.; Trottier-McDonald, M.; Trzupek, A.; Tsarouchas, C.; Tseng, J. C.-L.; Tsiakiris, M.; Tsiareshka, P. V.; Tsionou, D.; Tsipolitis, G.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsukerman, I. I.; Tsulaia, V.; Tsung, J.-W.; Tsuno, S.; Tsybychev, D.; Tua, A.; Tuggle, J. M.; Turala, M.; Turecek, D.; Turk Cakir, I.; Turlay, E.; Turra, R.; Tuts, P. M.; Tykhonov, A.; Tylmad, M.; Tyndel, M.; Tyrvainen, H.; Tzanakos, G.; Uchida, K.; Ueda, I.; Ueno, R.; Ugland, M.; Uhlenbrock, M.; Uhrmacher, M.; Ukegawa, F.; Unal, G.; Underwood, D. G.; Undrus, A.; Unel, G.; Unno, Y.; Urbaniec, D.; Urkovsky, E.; Urrejola, P.; Usai, G.; Uslenghi, M.; Vacavant, L.; Vacek, V.; Vachon, B.; Vahsen, S.; Valenta, J.; Valente, P.; Valentinetti, S.; Valkar, S.; Valladolid Gallego, E.; Vallecorsa, S.; Valls Ferrer, J. A.; van der Graaf, H.; van der Kraaij, E.; van der Leeuw, R.; van der Poel, E.; van der Ster, D.; van Eijk, B.; van Eldik, N.; van Gemmeren, P.; van Kesteren, Z.; van Vulpen, I.; Vandelli, W.; Vandoni, G.; Vaniachine, A.; Vankov, P.; Vannucci, F.; Varela Rodriguez, F.; Vari, R.; Varnes, E. W.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vassilakopoulos, V. I.; Vazeille, F.; Vegni, G.; Veillet, J. J.; Vellidis, C.; Veloso, F.; Veness, R.; Veneziano, S.; Ventura, A.; Ventura, D.; Venturi, M.; Venturi, N.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Vichou, I.; Vickey, T.; Viehhauser, G. H. A.; Viel, S.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinek, E.; Vinogradov, V. B.; Virchaux, M.; Viret, S.; Virzi, J.; Vitale, A.; Vitells, O.; Viti, M.; Vivarelli, I.; Vives Vaque, F.; Vlachos, S.; Vlasak, M.; Vlasov, N.; Vogel, A.; Vokac, P.; Volpi, G.; Volpi, M.; Volpini, G.; von der Schmitt, H.; von Loeben, J.; von Radziewski, H.; von Toerne, E.; Vorobel, V.; Vorobiev, A. P.; Vorwerk, V.; Vos, M.; Voss, R.; Voss, T. T.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vu Anh, T.; Vuillermet, R.; Vukotic, I.; Wagner, W.; Wagner, P.; Wahlen, H.; Wakabayashi, J.; Walbersloh, J.; Walch, S.; Walder, J.; Walker, R.; Walkowiak, W.; Wall, R.; Waller, P.; Wang, C.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, J. C.; Wang, R.; Wang, S. M.; Warburton, A.; Ward, C. P.; Warsinsky, M.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, A. T.; Waugh, B. M.; Weber, J.; Weber, M.; Weber, M. S.; Weber, P.; Weidberg, A. R.; Weigell, P.; Weingarten, J.; Weiser, C.; Wellenstein, H.; Wells, P. S.; Wen, M.; Wenaus, T.; Wendler, S.; Weng, Z.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M.; Werner, P.; Werth, M.; Wessels, M.; Weydert, C.; Whalen, K.; Wheeler-Ellis, S. J.; Whitaker, S. P.; White, A.; White, M. J.; White, S.; Whitehead, S. R.; Whiteson, D.; Whittington, D.; Wicek, F.; Wicke, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wienemann, P.; Wiglesworth, C.; Wiik, L. A. M.; Wijeratne, P. A.; Wildauer, A.; Wildt, M. A.; Wilhelm, I.; Wilkens, H. G.; Will, J. Z.; Williams, E.; Williams, H. H.; Willis, W.; Willocq, S.; Wilson, J. A.; Wilson, M. G.; Wilson, A.; Wingerter-Seez, I.; Winkelmann, S.; Winklmeier, F.; Wittgen, M.; Wolter, M. W.; Wolters, H.; Wooden, G.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wraight, K.; Wright, C.; Wrona, B.; Wu, S. L.; Wu, X.; Wu, Y.; Wulf, E.; Wunstorf, R.; Wynne, B. M.; Xaplanteris, L.; Xella, S.; Xie, S.; Xie, Y.; Xu, C.; Xu, D.; Xu, G.; Yabsley, B.; Yamada, M.; Yamamoto, A.; Yamamoto, K.; Yamamoto, S.; Yamamura, T.; Yamaoka, J.; Yamazaki, T.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, U. K.; Yang, Y.; Yang, Y.; Yang, Z.; Yanush, S.; Yao, W.-M.; Yao, Y.; Yasu, Y.; Ybeles Smit, G. V.; Ye, J.; Ye, S.; Yilmaz, M.; Yoosoofmiya, R.; Yorita, K.; Yoshida, R.; Young, C.; Youssef, S.; Yu, D.; Yu, J.; Yu, J.; Yuan, L.; Yurkewicz, A.; Zaets, V. G.; Zaidan, R.; Zaitsev, A. M.; Zajacova, Z.; Zalite, Yo. K.; Zanello, L.; Zarzhitsky, P.; Zaytsev, A.; Zeitnitz, C.; Zeller, M.; Zemla, A.; Zendler, C.; Zenin, A. V.; Zenin, O.; Ženiš, T.; Zenonos, Z.; Zenz, S.; Zerwas, D.; Zevi Della Porta, G.; Zhan, Z.; Zhang, D.; Zhang, H.; Zhang, J.; Zhang, X.; Zhang, Z.; Zhao, L.; Zhao, T.; Zhao, Z.; Zhemchugov, A.; Zheng, S.; Zhong, J.; Zhou, B.; Zhou, N.; Zhou, Y.; Zhu, C. G.; Zhu, H.; Zhu, Y.; Zhuang, X.; Zhuravlov, V.; Zieminska, D.; Zimmermann, R.; Zimmermann, S.; Zimmermann, S.; Ziolkowski, M.; Zitoun, R.; Živković, L.; Zmouchko, V. V.; Zobernig, G.; Zoccoli, A.; Zolnierowski, Y.; Zsenei, A.; Zur Nedden, M.; Zutshi, V.; Zwalinski, L.

2011-07-01

A search for contact interactions has been performed using dimuon events recorded with the ATLAS detector in proton-proton collisions at s=7TeV. The data sample corresponds to an integrated luminosity of 42pb-1. No significant deviation from the standard model is observed in the dimuon mass spectrum, allowing the following 95% C.L. limits to be set on the energy scale of contact interactions: Λ>4.9TeV (4.5 TeV) for constructive (destructive) interference in the left-left isoscalar compositeness model. These limits are the most stringent to date for μμqq contact interactions.

Significance of light and social cues in the maintenance of temporal organization in man

NASA Technical Reports Server (NTRS)

Winget, C. M.; Deroshia, C. W.; Ogawa, K. H.; Holley, D. C.

1989-01-01

The effects of light:darkness (LD) cycles and social interaction on the response to long-term confinement (105 days) were investigated experimentally in three groups of three male subjects aged 20-24 years. Data from measurements of physiological parameters indicating changes in circadian rhythms are presented in graphs and analyzed; it is found that the LD-induced rhythm changes observed in previous studies of subjects isolated singly do not appear when subjects are confined in groups of three, suggesting a positive adaptive effect of social contact. In one subject who was transferred to a different group at day 84, hostile social interactions and poor circadian-rhythm entrainment were observed; the possible reasons for this response are considered.

A review on the effects of different parameters on contact heat transfer

NASA Astrophysics Data System (ADS)

Abdollahi, H.; Shahraki, S.; Motahari-Nezhad, M.

2017-07-01

In this paper, a complete literature review for thermal contact between fixed and periodic contacting surfaces and also thermal contact between exhaust valve and its seat in internal combustion engines is presented. Furthermore, the effects of some parameters such as contact pressure, contact frequency, the contacting surfaces topography and roughness, curvature radius of surfaces, loading-unloading cycles, gas gap conductance and properties, interface interstitial material properties, surfaces coatings and surfaces temperature on thermal contact conductance are investigated according to the papers presented in this field. The reviewed papers and studies included theoretical/ analytical/experimental and numerical studies on thermal contact conductance. In studying the thermal contact between exhaust valve and its seat, most of the experimental studies include two axial rods as the exhaust valve, and seat and the one ends of both rods are considered at constant and different temperatures. In the experimental methods, the temperatures of multi-points on rods are measured in different conditions, and thermal contact conductance is estimated using them.

Charging of multiple interacting particles by contact electrification.

PubMed

Soh, Siowling; Liu, Helena; Cademartiri, Rebecca; Yoon, Hyo Jae; Whitesides, George M

2014-09-24

Many processes involve the movement of a disordered collection of small particles (e.g., powders, grain, dust, and granular foods). These particles move chaotically, interact randomly among themselves, and gain electrical charge by contact electrification. Understanding the mechanisms of contact electrification of multiple interacting particles has been challenging, in part due to the complex movement and interactions of the particles. To examine the processes contributing to contact electrification at the level of single particles, a system was constructed in which an array of millimeter-sized polymeric beads of different materials were agitated on a dish. The dish was filled almost completely with beads, such that beads did not exchange positions. At the same time, during agitation, there was sufficient space for collisions with neighboring beads. The charge of the beads was measured individually after agitation. Results of systematic variations in the organization and composition of the interacting beads showed that three mechanisms determined the steady-state charge of the beads: (i) contact electrification (charging of beads of different materials), (ii) contact de-electrification (discharging of beads of the same charge polarity to the atmosphere), and (iii) a long-range influence across beads not in contact with one another (occurring, plausibly, by diffusion of charge from a bead with a higher charge to a bead with a lower charge of the same polarity).

Structural and Magnetic Properties of M(mnt)(2) Salts (M = Ni, Pt, Cu) with a Ferrocene-Based Cation, [FcCH(2)N(CH(3))(3)](+). Interplay between M.M and M.S Intermolecular Interactions.

PubMed

Pullen, Anthony E.; Faulmann, Christophe; Pokhodnya, Konstantin I.; Cassoux, Patrick; Tokumoto, Madoka

1998-12-28

A series of metal bis-mnt complexes (mnt = 1,2-dithiolatomaleonitrile) with the trimethylammonium methylferrocene cation have been synthesized and characterized using X-ray diffraction, magnetic susceptibility, and differential scanning calorimetry measurements. The complexes have the formulas (FcCH(2)NMe(3))[Ni(mnt)(2)] (2), (FcCH(2)NMe(3))[Pt(mnt)(2)] (3), and (FcCH(2)NMe(3))(2)[Cu(mnt)(2)] (4) (where Fc = ferrocene). At 300 K, the crystal structures of 1:1 complexes 2 and 3 are very similar. They consist of pairs of [M(mnt)(2)](-) in a slipped configuration packed in stacks. Each [M(mnt)(2)](-) stack is separated from adjacent stacks by two columns of cations. Within the pairs, the [M(mnt)(2)](-) anions interact via short M.S contacts, while there are no short contacts between the pairs. Complex 4, which has a 2:1 stoichiometry, exhibits a markedly different packing arrangement of the anionic units. Due to the special position of the Cu atom in the asymmetric unit cell, [Cu(mnt)(2)](2)(-) dianions are completely isolated from each other. The magnetic susceptibility behavior of the nickel complex is consistent with the presence of magnetically isolated, antiferromagnetically (AF) coupled [Ni(mnt)(2)](-) pairs with the AF exchange parameter, J = -840 cm(-)(1). The platinum complex undergoes an endothermic structural phase transition (T(p)) at 247 K. Below T(p) its structure is characterized by the formation of magnetically isolated [Pt(mnt)(2)](2)(2)(-) dimers in an eclipsed configuration with short Pt.Pt and S.S contacts between monomers. In the magnetic properties, the structural changes reveal themselves as an abrupt susceptibility drop implying a substantial increase of the AF exchange parameter. A mechanism of the phase transition in the platinum compound is proposed. For compound 4, paramagnetic behavior is observed.

A Study of Slipper and Rail Wear Interaction at Low Speed

DTIC Science & Technology

2014-06-19

on gun barrel steel 24 Figure 2.5: Plot of Montgomery Pin on Disk Data with Curve Fit[11] for different pressure-velocity values. The function for this...Normal Force (N) F̃ Normalized Pressure (N/ m2 /N/ m2 ) lc Length of Contact Area (mm) r Radius of Asperity (µm) s Mie-Grüneisen Material Parameter T...revolution of the early 1900s drove the field of Tribology as many machines with a myriad of moving parts containing surfaces that wore against each other

Topology of RNA–protein nucleobase–amino acid π–π interactions and comparison to analogous DNA–protein π–π contacts

PubMed Central

Wilson, Katie A.; Holland, Devany J.; Wetmore, Stacey D.

2016-01-01

The present work analyzed 120 high-resolution X-ray crystal structures and identified 335 RNA–protein π-interactions (154 nonredundant) between a nucleobase and aromatic (W, H, F, or Y) or acyclic (R, E, or D) π-containing amino acid. Each contact was critically analyzed (including using a visual inspection protocol) to determine the most prevalent composition, structure, and strength of π-interactions at RNA–protein interfaces. These contacts most commonly involve F and U, with U:F interactions comprising one-fifth of the total number of contacts found. Furthermore, the RNA and protein π-systems adopt many different relative orientations, although there is a preference for more parallel (stacked) arrangements. Due to the variation in structure, the strength of the intermolecular forces between the RNA and protein components (as determined from accurate quantum chemical calculations) exhibits a significant range, with most of the contacts providing significant stability to the associated RNA–protein complex (up to −65 kJ mol−1). Comparison to the analogous DNA–protein π-interactions emphasizes differences in RNA– and DNA–protein π-interactions at the molecular level, including the greater abundance of RNA contacts and the involvement of different nucleobase/amino acid residues. Overall, our results provide a clearer picture of the molecular basis of nucleic acid–protein binding and underscore the important role of these contacts in biology, including the significant contribution of π–π interactions to the stability of nucleic acid–protein complexes. Nevertheless, more work is still needed in this area in order to further appreciate the properties and roles of RNA nucleobase–amino acid π-interactions in nature. PMID:26979279

Neuromusculoskeletal Model Calibration Significantly Affects Predicted Knee Contact Forces for Walking

PubMed Central

Serrancolí, Gil; Kinney, Allison L.; Fregly, Benjamin J.; Font-Llagunes, Josep M.

2016-01-01

Though walking impairments are prevalent in society, clinical treatments are often ineffective at restoring lost function. For this reason, researchers have begun to explore the use of patient-specific computational walking models to develop more effective treatments. However, the accuracy with which models can predict internal body forces in muscles and across joints depends on how well relevant model parameter values can be calibrated for the patient. This study investigated how knowledge of internal knee contact forces affects calibration of neuromusculoskeletal model parameter values and subsequent prediction of internal knee contact and leg muscle forces during walking. Model calibration was performed using a novel two-level optimization procedure applied to six normal walking trials from the Fourth Grand Challenge Competition to Predict In Vivo Knee Loads. The outer-level optimization adjusted time-invariant model parameter values to minimize passive muscle forces, reserve actuator moments, and model parameter value changes with (Approach A) and without (Approach B) tracking of experimental knee contact forces. Using the current guess for model parameter values but no knee contact force information, the inner-level optimization predicted time-varying muscle activations that were close to experimental muscle synergy patterns and consistent with the experimental inverse dynamic loads (both approaches). For all the six gait trials, Approach A predicted knee contact forces with high accuracy for both compartments (average correlation coefficient r = 0.99 and root mean square error (RMSE) = 52.6 N medial; average r = 0.95 and RMSE = 56.6 N lateral). In contrast, Approach B overpredicted contact force magnitude for both compartments (average RMSE = 323 N medial and 348 N lateral) and poorly matched contact force shape for the lateral compartment (average r = 0.90 medial and −0.10 lateral). Approach B had statistically higher lateral muscle forces and lateral optimal muscle fiber lengths but lower medial, central, and lateral normalized muscle fiber lengths compared to Approach A. These findings suggest that poorly calibrated model parameter values may be a major factor limiting the ability of neuromusculoskeletal models to predict knee contact and leg muscle forces accurately for walking. PMID:27210105

Dynamic interaction of monowheel inclined vehicle-vibration platform coupled system with quadratic and cubic nonlinearities

NASA Astrophysics Data System (ADS)

Zhou, Shihua; Song, Guiqiu; Sun, Maojun; Ren, Zhaohui; Wen, Bangchun

2018-01-01

In order to analyze the nonlinear dynamics and stability of a novel design for the monowheel inclined vehicle-vibration platform coupled system (MIV-VPCS) with intermediate nonlinearity support subjected to a harmonic excitation, a multi-degree of freedom lumped parameter dynamic model taking into account the dynamic interaction of the MIV-VPCS with quadratic and cubic nonlinearities is presented. The dynamical equations of the coupled system are derived by applying the displacement relationship, interaction force relationship at the contact position and Lagrange's equation, which are further discretized into a set of nonlinear ordinary differential equations with coupled terms by Galerkin's truncation. Based on the mathematical model, the coupled multi-body nonlinear dynamics of the vibration system is investigated by numerical method, and the parameters influences of excitation amplitude, mass ratio and inclined angle on the dynamic characteristics are precisely analyzed and discussed by bifurcation diagram, Largest Lyapunov exponent and 3-D frequency spectrum. Depending on different ranges of system parameters, the results show that the different motions and jump discontinuity appear, and the coupled system enters into chaotic behavior through different routes (period-doubling bifurcation, inverse period-doubling bifurcation, saddle-node bifurcation and Hopf bifurcation), which are strongly attributed to the dynamic interaction of the MIV-VPCS. The decreasing excitation amplitude and inclined angle could reduce the higher order bifurcations, and effectively control the complicated nonlinear dynamic behaviors under the perturbation of low rotational speed. The first bifurcation and chaotic motion occur at lower value of inclined angle, and the chaotic behavior lasts for larger intervals with higher rotational speed. The investigation results could provide a better understanding of the nonlinear dynamic behaviors for the dynamic interaction of the MIV-VPCS.

Social behaviors and acoustic vocalizations in different strains of mice.

PubMed

Faure, Alexis; Pittaras, Elsa; Nosjean, Anne; Chabout, Jonathan; Cressant, Arnaud; Granon, Sylvie

2017-03-01

Proposing a framework for the study of core functions is valuable for understanding how they are altered in multiple mental disorders involving prefrontal dysfunction, for understanding genetic influences and for testing therapeutic compounds. Social and communication disabilities are reported in several major psychiatric disorders, and social communication disorders also can occur independently. Being able to study social communication involving interactions and associated acoustic vocalizations in animal models is thus important. All rodents display extensive social behaviors, including interactions and acoustic vocalizations. It is therefore important to pinpoint potential genetic-related strain differences -and similarities- in social behavior and vocalization. One approach is to compare different mouse strains, and this may be useful in choosing which strains may be best suitable in modeling psychiatric disorders where social and communication deficits are core symptoms. We compared social behavior and ultrasonic acoustic vocalization profiles in males of four mouse strains (129S2/Sv, C57BL/6J, DBA/2, and CD-1) using a social interaction task that we previously showed to rely on prefrontal network activity. Our social interaction task promotes a high level of ultrasonic vocalization with both social and acoustic parameters, and further allows other measures of social behaviors. The duration of social contact, dominance and aggressiveness varied with the mouse strains. Only C57BL/6J mice showed no attacks, with social contact being highly affiliative, whereas others strains emitted aggressive attacks. C57BL/6J mice also exhibited a significantly higher rate of ultrasonic vocalizations (USV), especially during social interaction. Copyright © 2016 Elsevier B.V. All rights reserved.

Modular Organization of Residue-Level Contacts Shapes the Selection Pressure on Individual Amino Acid Sites of Ribosomal Proteins.

PubMed

Mallik, Saurav; Kundu, Sudip

2017-04-01

Understanding the molecular evolution of macromolecular complexes in the light of their structure, assembly, and stability is of central importance. Here, we address how the modular organization of native molecular contacts shapes the selection pressure on individual residue sites of ribosomal complexes. The bacterial ribosomal complex is represented as a residue contact network where nodes represent amino acid/nucleotide residues and edges represent their van der Waals interactions. We find statistically overrepresented native amino acid-nucleotide contacts (OaantC, one amino acid contacts one or multiple nucleotides, internucleotide contacts are disregarded). Contact number is defined as the number of nucleotides contacted. Involvement of individual amino acids in OaantCs with smaller contact numbers is more random, whereas only a few amino acids significantly contribute to OaantCs with higher contact numbers. An investigation of structure, stability, and assembly of bacterial ribosome depicts the involvement of these OaantCs in diverse biophysical interactions stabilizing the complex, including high-affinity protein-RNA contacts, interprotein cooperativity, intersubunit bridge, packing of multiple ribosomal RNA domains, etc. Amino acid-nucleotide constituents of OaantCs with higher contact numbers are generally associated with significantly slower substitution rates compared with that of OaantCs with smaller contact numbers. This evolutionary rate heterogeneity emerges from the strong purifying selection pressure that conserves the respective amino acid physicochemical properties relevant to the stabilizing interaction with OaantC nucleotides. An analysis of relative molecular orientations of OaantC residues and their interaction energetics provides the biophysical ground of purifying selection conserving OaantC amino acid physicochemical properties. © The Author(s) 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

Vapor bridges between solid substrates in the presence of the contact line pinning effect: Stability and capillary force

NASA Astrophysics Data System (ADS)

Liu, Yawei; Zhang, Xianren

2016-12-01

In this work, we focus on investigating how nanobubbles mediate long-range interaction between neighboring solid substrates in the presence of the contact line pinning effect caused by surface heterogeneities. Using the constrained lattice density functional theory (LDFT), we prove that the nanobubbles, which take the form of vapor bridges here, are stabilized by the pinning effect if the separation between two substrates is less than a critical distance. The critical distance strongly depends on the chemical potential (i.e., the degree of saturation) and could become extremely long at a special chemical potential. Moreover, under the pinning effect, the substrate chemistry only determines the stability of the vapor bridges and the range of the capillary force, but has less influences on the magnitude of the capillary force, indicating that the substrate chemistry or the apparent contact angle for droplets or bubbles on the substrates is no longer a direct parameter to determine the magnitude of capillary force. A qualitative analysis for the two dimensional vapor bridges by considering the feedback mechanism can explain the results from the LDFT calculations.

Spatially Localized Chemical Patterns around an A + B → Oscillator Front.

PubMed

Budroni, M A; Lemaigre, L; Escala, D M; Muñuzuri, A P; De Wit, A

2016-02-18

When two gels, each loaded with a different set of reactants A and B of an oscillatory reaction, are brought into contact, reaction-diffusion patterns such as waves or Turing patterns can develop in the reactive contact zone. The initial condition which separates the reactants at the beginning leads to a localization in space of the different dynamical regimes accessible to the chemical oscillator. We study here both numerically and experimentally the composite traveling structures resulting from the interaction between chemical fronts and localized waves in the case in which the reactants of such an A + B → oscillator system are those of the canonical Belousov-Zhabotinsky (BZ) oscillating reaction. A transition between different dynamics is obtained by varying the initial concentration of the organic substrate of the BZ reactants, which is one of the parameters controlling the local excitability. We show that the dynamical regime (excitable or oscillatory) characterizing the BZ oscillator in the initial contact area is the key feature which determines the spatiotemporal evolution of the system. The experimental results are in qualitative agreement with the theoretical predictions.

Non-smooth Hopf-type bifurcations arising from impact–friction contact events in rotating machinery

PubMed Central

Mora, Karin; Budd, Chris; Glendinning, Paul; Keogh, Patrick

2014-01-01

We analyse the novel dynamics arising in a nonlinear rotor dynamic system by investigating the discontinuity-induced bifurcations corresponding to collisions with the rotor housing (touchdown bearing surface interactions). The simplified Föppl/Jeffcott rotor with clearance and mass unbalance is modelled by a two degree of freedom impact–friction oscillator, as appropriate for a rigid rotor levitated by magnetic bearings. Two types of motion observed in experiments are of interest in this paper: no contact and repeated instantaneous contact. We study how these are affected by damping and stiffness present in the system using analytical and numerical piecewise-smooth dynamical systems methods. By studying the impact map, we show that these types of motion arise at a novel non-smooth Hopf-type bifurcation from a boundary equilibrium bifurcation point for certain parameter values. A local analysis of this bifurcation point allows us a complete understanding of this behaviour in a general setting. The analysis identifies criteria for the existence of such smooth and non-smooth bifurcations, which is an essential step towards achieving reliable and robust controllers that can take compensating action. PMID:25383034

Simultaneous Contact Sensing and Characterizing of Mechanical and Dynamic Heat Transfer Properties of Porous Polymeric Materials

PubMed Central

Yao, Bao-Guo; Peng, Yun-Liang; Zhang, De-Pin

2017-01-01

Porous polymeric materials, such as textile fabrics, are elastic and widely used in our daily life for garment and household products. The mechanical and dynamic heat transfer properties of porous polymeric materials, which describe the sensations during the contact process between porous polymeric materials and parts of the human body, such as the hand, primarily influence comfort sensations and aesthetic qualities of clothing. A multi-sensory measurement system and a new method were proposed to simultaneously sense the contact and characterize the mechanical and dynamic heat transfer properties of porous polymeric materials, such as textile fabrics in one instrument, with consideration of the interactions between different aspects of contact feels. The multi-sensory measurement system was developed for simulating the dynamic contact and psychological judgment processes during human hand contact with porous polymeric materials, and measuring the surface smoothness, compression resilience, bending and twisting, and dynamic heat transfer signals simultaneously. The contact sensing principle and the evaluation methods were presented. Twelve typical sample materials with different structural parameters were measured. The results of the experiments and the interpretation of the test results were described. An analysis of the variance and a capacity study were investigated to determine the significance of differences among the test materials and to assess the gage repeatability and reproducibility. A correlation analysis was conducted by comparing the test results of this measurement system with the results of Kawabata Evaluation System (KES) in separate instruments. This multi-sensory measurement system provides a new method for simultaneous contact sensing and characterizing of mechanical and dynamic heat transfer properties of porous polymeric materials. PMID:29084152

Simultaneous Contact Sensing and Characterizing of Mechanical and Dynamic Heat Transfer Properties of Porous Polymeric Materials.

PubMed

Yao, Bao-Guo; Peng, Yun-Liang; Zhang, De-Pin

2017-10-30

Porous polymeric materials, such as textile fabrics, are elastic and widely used in our daily life for garment and household products. The mechanical and dynamic heat transfer properties of porous polymeric materials, which describe the sensations during the contact process between porous polymeric materials and parts of the human body, such as the hand, primarily influence comfort sensations and aesthetic qualities of clothing. A multi-sensory measurement system and a new method were proposed to simultaneously sense the contact and characterize the mechanical and dynamic heat transfer properties of porous polymeric materials, such as textile fabrics in one instrument, with consideration of the interactions between different aspects of contact feels. The multi-sensory measurement system was developed for simulating the dynamic contact and psychological judgment processes during human hand contact with porous polymeric materials, and measuring the surface smoothness, compression resilience, bending and twisting, and dynamic heat transfer signals simultaneously. The contact sensing principle and the evaluation methods were presented. Twelve typical sample materials with different structural parameters were measured. The results of the experiments and the interpretation of the test results were described. An analysis of the variance and a capacity study were investigated to determine the significance of differences among the test materials and to assess the gage repeatability and reproducibility. A correlation analysis was conducted by comparing the test results of this measurement system with the results of Kawabata Evaluation System (KES) in separate instruments. This multi-sensory measurement system provides a new method for simultaneous contact sensing and characterizing of mechanical and dynamic heat transfer properties of porous polymeric materials.

Substitution effect on a hydroxylated chalcone: Conformational, topological and theoretical studies

NASA Astrophysics Data System (ADS)

Custodio, Jean M. F.; Vaz, Wesley F.; de Andrade, Fabiano M.; Camargo, Ademir J.; Oliveira, Guilherme R.; Napolitano, Hamilton B.

2017-05-01

The effect of substituents on two hydroxylated chalcones was studied in this work. The first chalcone, with a dimethylamine group (HY-DAC) and the second, with three methoxy groups (HY-TRI) were synthesized and crystallized from ethanol on centrosymmetric space group P21/c. The geometric parameters and supramolecular arrangement for both structures obtained from single crystal X-ray diffraction data were analyzed. The intermolecular interactions were investigated by Hirshfeld surfaces with their respective 2D plot for quantification of each type of contact. Additionally, the observed interactions were characterized by QTAIM analysis, and DFT calculations were applied for theoretical vibrational spectra, localization and quantification of frontier orbitals and potential electrostatic map. The flatness of both structures was affected by the substituents, which led to different monoclinic crystalline packing. The calculated harmonic vibrational frequencies and homo-lumo gap confirmed the stability of the structures, while intermolecular interactions were confirmed by potential electrostatic map and QTAIM analysis.

Modeling of fatigue crack induced nonlinear ultrasonics using a highly parallelized explicit local interaction simulation approach

NASA Astrophysics Data System (ADS)

Shen, Yanfeng; Cesnik, Carlos E. S.

2016-04-01

This paper presents a parallelized modeling technique for the efficient simulation of nonlinear ultrasonics introduced by the wave interaction with fatigue cracks. The elastodynamic wave equations with contact effects are formulated using an explicit Local Interaction Simulation Approach (LISA). The LISA formulation is extended to capture the contact-impact phenomena during the wave damage interaction based on the penalty method. A Coulomb friction model is integrated into the computation procedure to capture the stick-slip contact shear motion. The LISA procedure is coded using the Compute Unified Device Architecture (CUDA), which enables the highly parallelized supercomputing on powerful graphic cards. Both the explicit contact formulation and the parallel feature facilitates LISA's superb computational efficiency over the conventional finite element method (FEM). The theoretical formulations based on the penalty method is introduced and a guideline for the proper choice of the contact stiffness is given. The convergence behavior of the solution under various contact stiffness values is examined. A numerical benchmark problem is used to investigate the new LISA formulation and results are compared with a conventional contact finite element solution. Various nonlinear ultrasonic phenomena are successfully captured using this contact LISA formulation, including the generation of nonlinear higher harmonic responses. Nonlinear mode conversion of guided waves at fatigue cracks is also studied.

Patterns of direct and indirect contact between cattle and badgers naturally infected with tuberculosis.

PubMed

Drewe, J A; O'Connor, H M; Weber, N; McDonald, R A; Delahay, R J

2013-07-01

Tuberculosis (TB) due to infection with Mycobacterium bovis is transmitted between cattle and badgers (Meles meles) in the UK and Ireland but it is unclear where or when transmission occurs. We investigated direct and indirect interactions between badgers and cattle using automated proximity loggers on animals and at badger latrines located on pasture, in an area of south-west England with a high-density badger population. Direct contacts (interactions within 1.4 m) between badgers and cattle at pasture were very rare (four out of >500000 recorded animal-to-animal contacts) despite ample opportunity for interactions to occur. Indirect interactions (visits to badger latrines by badgers and cattle) were two orders of magnitude more frequent than direct contacts: 400 visits by badgers and 1700 visits by cattle were recorded. This suggests that indirect contacts might be more important than direct contacts in terms of disease transmission at pasture. The TB infection status of individual badgers (ascribed with 93% accuracy using three diagnostic tests) did not affect the frequency or duration of their visits to latrines located on pasture grazed by cattle. Nevertheless, there was wide variation in contact behaviour between individuals, which highlights the importance of understanding heterogeneity in contact patterns when developing strategies to control disease spread in wildlife and livestock.

Simulating Army-Relevant Spur Gear Contacts with a Ball-on-Disc Tribometer

DTIC Science & Technology

2015-09-01

on Steel Ceramic on Ceramic 23 amount of run in is a parameter that must be considered when simulating gear or bearing contacts, and can even be...minimum track diameters.......................19 Fig. 13 Hertzian contact stress for steel and ceramic contacts ............................21 Fig...14 Contact radius for steel and ceramic contacts .........................................21 Fig. 15 Contact area for steel and ceramic contacts

Discrete Element Method Simulations of the Inter-Particle Contact Parameters for the Mono-Sized Iron Ore Particles.

PubMed

Li, Tongqing; Peng, Yuxing; Zhu, Zhencai; Zou, Shengyong; Yin, Zixin

2017-05-11

Aiming at predicting what happens in reality inside mills, the contact parameters of iron ore particles for discrete element method (DEM) simulations should be determined accurately. To allow the irregular shape to be accurately determined, the sphere clump method was employed in modelling the particle shape. The inter-particle contact parameters were systematically altered whilst the contact parameters between the particle and wall were arbitrarily assumed, in order to purely assess its impact on the angle of repose for the mono-sized iron ore particles. Results show that varying the restitution coefficient over the range considered does not lead to any obvious difference in the angle of repose, but the angle of repose has strong sensitivity to the rolling/static friction coefficient. The impacts of the rolling/static friction coefficient on the angle of repose are interrelated, and increasing the inter-particle rolling/static friction coefficient can evidently increase the angle of repose. However, the impact of the static friction coefficient is more profound than that of the rolling friction coefficient. Finally, a predictive equation is established and a very close agreement between the predicted and simulated angle of repose is attained. This predictive equation can enormously shorten the inter-particle contact parameters calibration time that can help in the implementation of DEM simulations.

Inference of Transmission Network Structure from HIV Phylogenetic Trees

DOE PAGES

Giardina, Federica; Romero-Severson, Ethan Obie; Albert, Jan; ...

2017-01-13

Phylogenetic inference is an attractive means to reconstruct transmission histories and epidemics. However, there is not a perfect correspondence between transmission history and virus phylogeny. Both node height and topological differences may occur, depending on the interaction between within-host evolutionary dynamics and between-host transmission patterns. To investigate these interactions, we added a within-host evolutionary model in epidemiological simulations and examined if the resulting phylogeny could recover different types of contact networks. To further improve realism, we also introduced patient-specific differences in infectivity across disease stages, and on the epidemic level we considered incomplete sampling and the age of the epidemic.more » Second, we implemented an inference method based on approximate Bayesian computation (ABC) to discriminate among three well-studied network models and jointly estimate both network parameters and key epidemiological quantities such as the infection rate. Our ABC framework used both topological and distance-based tree statistics for comparison between simulated and observed trees. Overall, our simulations showed that a virus time-scaled phylogeny (genealogy) may be substantially different from the between-host transmission tree. This has important implications for the interpretation of what a phylogeny reveals about the underlying epidemic contact network. In particular, we found that while the within-host evolutionary process obscures the transmission tree, the diversification process and infectivity dynamics also add discriminatory power to differentiate between different types of contact networks. We also found that the possibility to differentiate contact networks depends on how far an epidemic has progressed, where distance-based tree statistics have more power early in an epidemic. Finally, we applied our ABC inference on two different outbreaks from the Swedish HIV-1 epidemic.« less

Inference of Transmission Network Structure from HIV Phylogenetic Trees

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

Giardina, Federica; Romero-Severson, Ethan Obie; Albert, Jan

Phylogenetic inference is an attractive means to reconstruct transmission histories and epidemics. However, there is not a perfect correspondence between transmission history and virus phylogeny. Both node height and topological differences may occur, depending on the interaction between within-host evolutionary dynamics and between-host transmission patterns. To investigate these interactions, we added a within-host evolutionary model in epidemiological simulations and examined if the resulting phylogeny could recover different types of contact networks. To further improve realism, we also introduced patient-specific differences in infectivity across disease stages, and on the epidemic level we considered incomplete sampling and the age of the epidemic.more » Second, we implemented an inference method based on approximate Bayesian computation (ABC) to discriminate among three well-studied network models and jointly estimate both network parameters and key epidemiological quantities such as the infection rate. Our ABC framework used both topological and distance-based tree statistics for comparison between simulated and observed trees. Overall, our simulations showed that a virus time-scaled phylogeny (genealogy) may be substantially different from the between-host transmission tree. This has important implications for the interpretation of what a phylogeny reveals about the underlying epidemic contact network. In particular, we found that while the within-host evolutionary process obscures the transmission tree, the diversification process and infectivity dynamics also add discriminatory power to differentiate between different types of contact networks. We also found that the possibility to differentiate contact networks depends on how far an epidemic has progressed, where distance-based tree statistics have more power early in an epidemic. Finally, we applied our ABC inference on two different outbreaks from the Swedish HIV-1 epidemic.« less

A multi-mode real-time terrain parameter estimation method for wheeled motion control of mobile robots

NASA Astrophysics Data System (ADS)

Li, Yuankai; Ding, Liang; Zheng, Zhizhong; Yang, Qizhi; Zhao, Xingang; Liu, Guangjun

2018-05-01

For motion control of wheeled planetary rovers traversing on deformable terrain, real-time terrain parameter estimation is critical in modeling the wheel-terrain interaction and compensating the effect of wheel slipping. A multi-mode real-time estimation method is proposed in this paper to achieve accurate terrain parameter estimation. The proposed method is composed of an inner layer for real-time filtering and an outer layer for online update. In the inner layer, sinkage exponent and internal frictional angle, which have higher sensitivity than that of the other terrain parameters to wheel-terrain interaction forces, are estimated in real time by using an adaptive robust extended Kalman filter (AREKF), whereas the other parameters are fixed with nominal values. The inner layer result can help synthesize the current wheel-terrain contact forces with adequate precision, but has limited prediction capability for time-variable wheel slipping. To improve estimation accuracy of the result from the inner layer, an outer layer based on recursive Gauss-Newton (RGN) algorithm is introduced to refine the result of real-time filtering according to the innovation contained in the history data. With the two-layer structure, the proposed method can work in three fundamental estimation modes: EKF, REKF and RGN, making the method applicable for flat, rough and non-uniform terrains. Simulations have demonstrated the effectiveness of the proposed method under three terrain types, showing the advantages of introducing the two-layer structure.

Contact angle of sessile drops in Lennard-Jones systems.

PubMed

Becker, Stefan; Urbassek, Herbert M; Horsch, Martin; Hasse, Hans

2014-11-18

Molecular dynamics simulations are used for studying the contact angle of nanoscale sessile drops on a planar solid wall in a system interacting via the truncated and shifted Lennard-Jones potential. The entire range between total wetting and dewetting is investigated by varying the solid-fluid dispersive interaction energy. The temperature is varied between the triple point and the critical temperature. A correlation is obtained for the contact angle in dependence of the temperature and the dispersive interaction energy. Size effects are studied by varying the number of fluid particles at otherwise constant conditions, using up to 150,000 particles. For particle numbers below 10,000, a decrease of the contact angle is found. This is attributed to a dependence of the solid-liquid surface tension on the droplet size. A convergence to a constant contact angle is observed for larger system sizes. The influence of the wall model is studied by varying the density of the wall. The effective solid-fluid dispersive interaction energy at a contact angle of θ = 90° is found to be independent of temperature and to decrease linearly with the solid density. A correlation is developed that describes the contact angle as a function of the dispersive interaction, the temperature, and the solid density. The density profile of the sessile drop and the surrounding vapor phase is described by a correlation combining a sigmoidal function and an oscillation term.

The interactive bending wrinkling behaviour of inflated beams

PubMed Central

Liu, Y. P.; Tan, H. F.; Wadee, M. K.

2016-01-01

A model is proposed based on a Fourier series method to analyse the interactive bending wrinkling behaviour of inflated beams. The whole wrinkling evolution is tracked and divided into three stages by identifying the bifurcations of the equilibrium path. The critical wrinkling and failure moments of the inflated beam can then be predicted. The global–local interactive buckling pattern is elucidated by the proposed theoretical model and also verified by non-contact experimental tests. The effects of geometric parameters, internal pressure and boundary conditions on the buckling of inflated beams are investigated finally. The results reveal that the interactive buckling characteristics of an inflated beam under bending are more sensitive to the dimensions of the structure and boundary conditions. We find that for beams which are simply supported at both ends or clamped and simply supported, boundary conditions may prevent the wrinkling formation. The results provide significant support for our understanding of the bending wrinkling behaviour of inflated beams. PMID:27713665

Radio-Frequency-Controlled Cold Collisions and Universal Properties of Unitary Bose Gases

NASA Astrophysics Data System (ADS)

Ding, Yijue

This thesis investigates two topics: ultracold atomic collisions in a radio-frequency field and universal properties of a degenerate unitary Bose gas. One interesting point of the unitary Bose gas is that the system has only one length scale, that is, the average interparticle distance. This single parameter determines all properties of the gas, which is called the universality of the system. We first introduce a renormalized contact interaction to extend the validity of the zero-range interaction to large scattering lengths. Then this renormalized interaction is applied to many-body theories to determined those universal relations of the system. From the few-body perspective, we discuss the scattering between atoms in a single-color radio-frequency field. Our motivation is proposing the radio-frequency field as an effective tool to control interactions between cold atoms. Such a technique may be useful in future experiments such as creating phase transitions in spinor condensates. We also discuss the formation of ultracold molecules using radio-freqency fields from a time-dependent approach.

The Dynamics of a SEIR-SIRC Antigenic Drift Influenza Model.

PubMed

Adi-Kusumo, Fajar

2017-06-01

We consider the dynamics of an influenza model with antigenic drift mechanism. Antigenic drift is an antigen mutation on the skin surface of the influenza virus that do not produce a new virus strain. The mutation produces the same virus but with slightly different antigens that cannot be recognized by the immune receptors formed by the previous infection. There are some type of influenza that involve the interaction between two populations such as human and animal. In this paper, we construct an influenza model with antigenic drift mechanism on the human population that has interaction with the animal population. The animal population is assumed to follow the SEIR epidemic model. Our model is motivated by the fact that some of the influenza cases in human come from the animal such as the swine and the avian. The transmission parameter that shows number of contact between the susceptible human and the infectious animals are important to study. The parameter plays an important role to detect the cycle of infection of the disease. The other important parameters are the seasonality degree, which shows the pathogen appearance and disappearance via annual migration, and the infection rate on the human population. We employ the bifurcation theory to analyze the behavior of the system and to detect the cycle of infection types when the parameters values are varied.

Minimum film thickness in elliptical contacts for different regimes of fluid-film lubrication

NASA Technical Reports Server (NTRS)

Hamrock, B. J.; Dowson, D.

1978-01-01

The film-parameter equations are provided for four fluid-film lubrication regimes found in elliptical contacts. These regimes are isoviscous-rigid; viscous-rigid; elastohydrodynamic of low-elastic-modulus materials, or isoviscous-elastic; and elastohydrodynamic, or viscous-elastic. The influence or lack of influence of elastic and viscous effects is the factor that distinguishes these regimes. The film-parameter equations for the respective regimes come from earlier theoretical studies by the authors on elastohydrodynamic and hydrodynamic lubrication of elliptical conjunctions. These equations are restated and the results are presented as a map of the lubrication regimes, with film-thickness contours on a log-log grid of the viscosity and elasticity parameters for five values of the ellipticity parameter. The results present a complete theoretical film-parameter solution for elliptical contacts in the four lubrication regimes.

Shear-induced organization of forces in dense suspensions: signatures of discontinuous shear thickening

NASA Astrophysics Data System (ADS)

Sarkar, Sumantra; Shatoff, Elan; Ramola, Kabir; Mari, Romain; Morris, Jeffrey; Chakraborty, Bulbul

2017-06-01

Dense suspensions can exhibit an abrupt change in their viscosity in response to increasing shear rate. The origin of this discontinuous shear thickening (DST) has been ascribed to the transformation of lubricated contacts to frictional, particle-on-particle contacts. Recent research on the flowing and jamming behavior of dense suspensions has explored the intersection of ideas from granular physics and Stokesian fluid dynamics to better understand this transition from lubricated to frictional rheology. DST is reminiscent of classical phase transitions, and a key question is how interactions between the microscopic constituents give rise to a macroscopic transition. In this paper, we extend a formalism that has proven to be successful in understanding shear jamming of dry grains to dense suspensions. Quantitative analysis of the collective evolution of the contactforce network accompanying the DST transition demonstrates clear changes in the distribution of microscopic variables, and leads to the identification of an "order parameter" characterizing DST.

Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

NASA Astrophysics Data System (ADS)

Yang, Ge; Wang, Jun; Fang, Wen

2015-04-01

In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also defined in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.

High-speed trains subject to abrupt braking

NASA Astrophysics Data System (ADS)

Tran, Minh Thi; Ang, Kok Keng; Luong, Van Hai; Dai, Jian

2016-12-01

The dynamic response of high-speed train subject to braking is investigated using the moving element method. Possible sliding of wheels over the rails is accounted for. The train is modelled as a 15-DOF system comprising of a car body, two bogies and four wheels interconnected by spring-damping units. The rail is modelled as a Euler-Bernoulli beam resting on a two-parameter elastic damped foundation. The interaction between the moving train and track-foundation is accounted for through the normal and tangential wheel-rail contact forces. The effects of braking torque, wheel-rail contact condition, initial train speed and severity of railhead roughness on the dynamic response of the high-speed train are investigated. For a given initial train speed and track irregularity, the study revealed that there is an optimal braking torque that would result in the smallest braking distance with no occurrence of wheel sliding, representing a good compromise between train instability and safety.

A New Route to Nondestructive Top-Contacts for Molecular Electronics on Si: Pb Evaporated on Organic Monolayers.

PubMed

Lovrinčić, Robert; Kraynis, Olga; Har-Lavan, Rotem; Haj-Yahya, Abd-Elrazek; Li, Wenjie; Vilan, Ayelet; Cahen, David

2013-02-07

Thermally evaporated Pb preserves the electronic properties of an organic monolayer (ML) on Si and surface passivation of the Si surface itself. The obtained current-voltage characteristics of Pb/ML/Si junctions agree with results obtained with the well-established Hg contact and preserve both the molecule-induced dipole effect on, and length-attenuation of, the current. We rationalize our findings by the lack of interaction between the Pb and the Si substrate. This method is fast, scalable, and compatible with standard semiconductor processing, results in close to 100% yield, and can help the development of large-scale utilization of silicon-organic hybrid electronics. Our experimental data show a dependence of the transport across the molecules on the substrate orientation, expressed in the smaller distance decay parameter with Si(100) than that with Si(111).

Work of adhesion between mucin macromolecule and calcium-alginate gels on molecular level.

PubMed

Popeski-Dimovski, Riste

2015-06-05

The bioadhesion of biopolymers to mucus layers is of great interest for the development of drug delivery systems. Herein we use AFM force measurements to evaluate the interaction on molecular level between a mucin macromolecule attached to an AFM tip and a calcium-alginate gel layer. The total work of adhesion is measured from the AFM force curves depending on different parameters: time of contact, G/M ratio of the alginate, and crosslink ratio of the gel. The total work of adhesion is found to be in the range of 1×10(-19) to 6×10(-18)J. The results show that the work of adhesion increases with the time of contact but it is independent from the molecular mass of the alginate, the G/M ratio of the alginate and crosslink ratio of the gel. Copyright © 2015 Elsevier Ltd. All rights reserved.

Tyre induced vibrations of the car-trailer system

NASA Astrophysics Data System (ADS)

Beregi, S.; Takács, D.; Stépán, G.

2016-02-01

The lateral and yaw dynamics of the car-trailer combination are analysed by means of a single track model. The equations of motion are derived rigorously by means of the Appell-Gibbs equations for constant longitudinal velocity of the vehicle. The tyres are described with the help of the so-called delayed tyre model, which is based on a brush model with pure rolling contact. The lateral forces and aligning torques of the tyre/road interaction are calculated via the instantaneous lateral deformations in the contact patches. The linear stability analysis of the rectilinear motion is performed via the analytically determined characteristic function of the system. Stability charts are constructed with respect to the vehicle longitudinal velocity and the payload position on the trailer. Self-excited lateral vibrations are detected with different vibration modes at low and at high longitudinal speeds of the vehicle. The effects of the tyre parameters are also investigated.

Rail corrugation growth accounting for the flexibility and rotation of the wheel set and the non-Hertzian and non-steady-state effects at contact patch

NASA Astrophysics Data System (ADS)

Vila, Paloma; Baeza, Luis; Martínez-Casas, José; Carballeira, Javier

2014-05-01

In this work, a simulation tool is developed to analyse the growth of rail corrugation consisting of several models connected in a feedback loop in order to account for both the short-term dynamic vehicle-track interaction and the long-term damage. The time-domain vehicle-track interaction model comprises a flexible rotating wheel set model, a cyclic track model based on a substructuring technique and a non-Hertzian and non-steady-state three-dimensional wheel-rail contact model, based on the variational theory by Kalker. Wear calculation is performed with Archard's wear model by using the contact parameters obtained with the non-Hertzian and non-steady-state three-dimensional contact model. The aim of this paper is to analyse the influence of the excitation of two coinciding resonances of the flexible rotating wheel set on the rail corrugation growth in the frequency range from 20 to 1500 Hz, when contact conditions similar to those that can arise while a wheel set is negotiating a gentle curve are simulated. Numerical results show that rail corrugation grows only on the low rail for two cases in which two different modes of the rotating wheel set coincide in frequency. In the first case, identified by using the Campbell diagram, the excitation of both the backward wheel mode and the forward third bending mode of the wheel set model (B-F modes) promotes the growth of rail corrugation with a wavelength of 110 mm for a vehicle velocity of 142 km/h. In the second case, the excitation of both the backward wheel mode and the backward third bending mode (B-B modes) gives rise to rail corrugation growth at a wavelength of 156 mm when the vehicle velocity is 198 km/h.

Simulation of car collision with an impact block

NASA Astrophysics Data System (ADS)

Kostek, R.; Aleksandrowicz, P.

2017-10-01

This article presents the experimental results of crash test of Fiat Cinquecento performed by Allgemeiner Deutscher Automobil-Club (ADAC) and the simulation results obtained with program called V-SIM for default settings. At the next stage a wheel was blocked and the parameters of contact between the vehicle and the barrier were changed for better results matching. The following contact parameters were identified: stiffness at compression phase, stiffness at restitution phase, the coefficients of restitution and friction. The changes lead to various post-impact positions, which shows sensitivity of the results to contact parameters. V-SIM is commonly used by expert witnesses who tend to use default settings, therefore the companies offering simulation programs should identify those parameters with due diligence.

The role of atomic level steric effects and attractive forces in protein folding.

PubMed

Lammert, Heiko; Wolynes, Peter G; Onuchic, José N

2012-02-01

Protein folding into tertiary structures is controlled by an interplay of attractive contact interactions and steric effects. We investigate the balance between these contributions using structure-based models using an all-atom representation of the structure combined with a coarse-grained contact potential. Tertiary contact interactions between atoms are collected into a single broad attractive well between the C(β) atoms between each residue pair in a native contact. Through the width of these contact potentials we control their tolerance for deviations from the ideal structure and the spatial range of attractive interactions. In the compact native state dominant packing constraints limit the effects of a coarse-grained contact potential. During folding, however, the broad attractive potentials allow an early collapse that starts before the native local structure is completely adopted. As a consequence the folding transition is broadened and the free energy barrier is decreased. Eventually two-state folding behavior is lost completely for systems with very broad attractive potentials. The stabilization of native-like residue interactions in non-perfect geometries early in the folding process frequently leads to structural traps. Global mirror images are a notable example. These traps are penalized by the details of the repulsive interactions only after further collapse. Successful folding to the native state requires simultaneous guidance from both attractive and repulsive interactions. Copyright © 2011 Wiley Periodicals, Inc.

A contact angle hysteresis model based on the fractal structure of contact line.

PubMed

Wu, Shuai; Ma, Ming

2017-11-01

Contact angle is one of the most popular concept used in fields such as wetting, transport and microfludics. In practice, different contact angles such as equilibrium, receding and advancing contact angles are observed due to hysteresis. The connection among these contact angles is important in revealing the chemical and physical properties of surfaces related to wetting. Inspired by the fractal structure of contact line, we propose a single parameter model depicting the connection of the three angles. This parameter is decided by the fractal structure of the contact line. The results of this model agree with experimental observations. In certain cases, it can be reduced to other existing models. It also provides a new point of view in understanding the physical nature of the contact angle hysteresis. Interestingly, some counter-intuitive phenomena, such as the binary receding angles, are indicated in this model, which are waited to be validated by experiments. Copyright © 2017 Elsevier Inc. All rights reserved.

Direct measurements of the interactions between clathrate hydrate particles and water droplets.

PubMed

Liu, Chenwei; Li, Mingzhong; Zhang, Guodong; Koh, Carolyn A

2015-08-14

Clathrate hydrate particle agglomeration is often considered to be one of the key limiting factors in plug formation. The hydrate particle-water interaction can play a critical role in describing hydrate agglomeration, yet is severely underexplored. Therefore, this work investigates the interactions between water droplets and cyclopentane hydrate particles using a micromechanical force (MMF) apparatus. Specifically, the effect of contact time, temperature/subcooling, contact area, and the addition of Sorbitane monooleate (Span 80) surfactant on the water droplet-hydrate particle interaction behavior are studied. The measurements indicate that hydrate formation during the measurement would increase the water-hydrate interaction force significantly. The results also indicate that the contact time, subcooling and concentration of cyclopentane, which determine the hydrate formation rate and hydrate amount, will affect the hydrate-water interaction force. In addition, the interaction forces also increase with the water-hydrate contact area. The addition of Span 80 surfactant induces a change in the hydrate morphology and renders the interfaces stable versus unstable (leading to coalescence), and the contact force can affect the hydrate-water interaction behavior significantly. Compared with the hydrate-hydrate cohesion force (measured in cyclopentane), the hydrate-water adhesion force is an order of magnitude larger. These new measurements can help to provide new and critical insights into the hydrate agglomeration process and potential strategies to control this process.

Nonlinear acoustic spectroscopy of cracked flaws and disbonds: Fundamentals, techniques, and applications

NASA Astrophysics Data System (ADS)

Maev, R. Gr.; Solodov, I. Yu.

2000-05-01

Classical nonlinear acoustics of solids operates with distributed material nonlinearity related to unharmonicity of molecular interaction forces. Weakening of molecular bonds in a defect area or intermittent lack of elastic coupling between the faces of a vibrating crack or unbond ("clapping") results in anomalously high local contact acoustic nonlinearity (CAN). CAN properties and spectral features are different from those of the classical analog and important to develop new acoustic NDE techniques. Three approaches to nonlinear NDE methodology have been experimentally verified: low-frequency (hundreds of Hz) vibration technique, intermediate-frequency (hundreds of kHz) standing wave and high-frequency (tens of MHz) propagation modes. Low-frequency nonlinear contact vibrations revealed multiple sub- and super-harmonics generation featuring non-monotonous (sinx/x type) spectra. Parametric instability observed in resonator with a nonlinear contact leads to the output spectrum splitting up into successive sub-harmonics as the wave amplitude increases. High-frequency experiments demonstrated abnormal increases in the third harmonic amplitude: 3 or 4 order enhancement of the 3-ω nonlinear parameter was measured for the nonlinear contact. The CAN spectral features in both acoustic and vibration modes were used for nonlinear NDE of simulated and realistic flaws in glass, metal welds, etc. The sensitivities of the techniques are compared and their practical applicability assessed.

Measurement of the geometric parameters of power contact wire based on binocular stereovision

NASA Astrophysics Data System (ADS)

Pan, Xue-Tao; Zhang, Ya-feng; Meng, Fei

2010-10-01

In the electrified railway power supply system, electric locomotive obtains power from the catenary's wire through the pantograph. Under the action of the pantograph, combined with various factors such as vibration, touch current, relative sliding speed, load, etc, the contact wire will produce mechanical wear and electrical wear. Thus, in electrified railway construction and daily operations, the geometric parameters such as line height, pull value, the width of wear surface must be under real-timely and non-contact detection. On the one hand, the safe operation of electric railways will be guaranteed; on the other hand, the wire endurance will be extended, and operating costs reduced. Based on the characteristics of the worn wires' image signal, the binocular stereo vision technology was applied for measurement of contact wire geometry parameters, a mathematical model of measurement of geometric parameters was derived, and the boundaries of the wound wire abrasion-point value were extracted by means of sub-pixel edge detection method based on the LOG operator with the least-squares fitting, thus measurements of the wire geometry parameters were realized. Principles were demonstrated through simulation experiments, and the experimental results show that the detection methods presented in this paper for measuring the accuracy, efficiency and convenience, etc. are close to or superior to the traditional measurements, which has laid a good foundation for the measurement system of geometric parameters for the contact wire of the development of binocular vision.

Human-directed social behaviour in dogs shows significant heritability.

PubMed

Persson, M E; Roth, L S V; Johnsson, M; Wright, D; Jensen, P

2015-04-01

Through domestication and co-evolution with humans, dogs have developed abilities to attract human attention, e.g. in a manner of seeking assistance when faced with a problem solving task. The aims of this study were to investigate within breed variation in human-directed contact seeking in dogs and to estimate its genetic basis. To do this, 498 research beagles, bred and kept under standardized conditions, were tested in an unsolvable problem task. Contact seeking behaviours recorded included both eye contact and physical interactions. Behavioural data was summarized through a principal component analysis, resulting in four components: test interactions, social interactions, eye contact and physical contact. Females scored significantly higher on social interactions and physical contact and age had an effect on eye contact scores. Narrow sense heritabilities (h(2) ) of the two largest components were estimated at 0.32 and 0.23 but were not significant for the last two components. These results show that within the studied dog population, behavioural variation in human-directed social behaviours was sex dependent and that the utilization of eye contact seeking increased with age and experience. Hence, heritability estimates indicate a significant genetic contribution to the variation found in human-directed social interactions, suggesting that social skills in dogs have a genetic basis, but can also be shaped and enhanced through individual experiences. This research gives the opportunity to further investigate the genetics behind dogs' social skills, which could also play a significant part into research on human social disorders such as autism. © 2015 John Wiley & Sons Ltd and International Behavioural and Neural Genetics Society.

Predictive models for moving contact line flows

NASA Technical Reports Server (NTRS)

Rame, Enrique; Garoff, Stephen

2003-01-01

Modeling flows with moving contact lines poses the formidable challenge that the usual assumptions of Newtonian fluid and no-slip condition give rise to a well-known singularity. This singularity prevents one from satisfying the contact angle condition to compute the shape of the fluid-fluid interface, a crucial calculation without which design parameters such as the pressure drop needed to move an immiscible 2-fluid system through a solid matrix cannot be evaluated. Some progress has been made for low Capillary number spreading flows. Combining experimental measurements of fluid-fluid interfaces very near the moving contact line with an analytical expression for the interface shape, we can determine a parameter that forms a boundary condition for the macroscopic interface shape when Ca much les than l. This parameter, which plays the role of an "apparent" or macroscopic dynamic contact angle, is shown by the theory to depend on the system geometry through the macroscopic length scale. This theoretically established dependence on geometry allows this parameter to be "transferable" from the geometry of the measurement to any other geometry involving the same material system. Unfortunately this prediction of the theory cannot be tested on Earth.

The effect of load in a contact with boundary lubrication. [reduction of coefficient of friction

NASA Technical Reports Server (NTRS)

Georges, J. M.; Lamy, B.; Daronnat, M.; Moro, S.

1978-01-01

The effect of the transition load on the wear in a contact with boundary lubrication was investigated. An experimental method was developed for this purpose, and parameters affecting the boundary lubrication under industrial operating conditions were identified. These parameters are the adsorbed boundary film, the contact microgeometry (surface roughness), macrogeometry, and hardness of materials used. It was found that the curve of the tops of the surface protrustion affect the transition load, and thus the boundary lubrication. The transition load also depends on the chemical nature of the contact and its geometrical and mechanical aspects.

Existence and analyticity of eigenvalues of a two-channel molecular resonance model

NASA Astrophysics Data System (ADS)

Lakaev, S. N.; Latipov, Sh. M.

2011-12-01

We consider a family of operators Hγμ(k), k ∈ mathbb{T}^d := (-π,π]d, associated with the Hamiltonian of a system consisting of at most two particles on a d-dimensional lattice ℤd, interacting via both a pair contact potential (μ > 0) and creation and annihilation operators (γ > 0). We prove the existence of a unique eigenvalue of Hγμ(k), k ∈ mathbb{T}^d , or its absence depending on both the interaction parameters γ,μ ≥ 0 and the system quasimomentum k ∈ mathbb{T}^d . We show that the corresponding eigenvector is analytic. We establish that the eigenvalue and eigenvector are analytic functions of the quasimomentum k ∈ mathbb{T}^d in the existence domain G ⊂ mathbb{T}^d.

Corrosion phenomena in sodium-potassium coolant resulting from solute interaction in multicomponent solution

NASA Astrophysics Data System (ADS)

Krasin, V. P.; Soyustova, S. I.

2018-03-01

The solubility of Fe, Cr, Ni, V, Mn and Mo in sodium-potassium melt has been calculated using the mathematical framework of pseudo-regular solution model. The calculation results are compared with available published experimental data on mass transfer of components of austenitic stainless steel in sodium-potassium loop under non-isothermal conditions. It is shown that the parameters of pair interaction of oxygen with transition metal can be used to predict the corrosion behavior of structural materials in sodium-potassium melt in the presence of oxygen impurity. The results of calculation of threshold concentration of oxygen of ternary oxide formation of sodium with transitional metals (Fe, Cr, Ni, V, Mn, Mo) are given in conditions when pure solid metal comes in contact with sodium-potassium melt.

Access to Space Interactive Design Web Site

NASA Technical Reports Server (NTRS)

Leon, John; Cutlip, William; Hametz, Mark

2000-01-01

The Access To Space (ATS) Group at NASA's Goddard Space Flight Center (GSFC) supports the science and technology community at GSFC by facilitating frequent and affordable opportunities for access to space. Through partnerships established with access mode suppliers, the ATS Group has developed an interactive Mission Design web site. The ATS web site provides both the information and the tools necessary to assist mission planners in selecting and planning their ride to space. This includes the evaluation of single payloads vs. ride-sharing opportunities to reduce the cost of access to space. Features of this site include the following: (1) Mission Database. Our mission database contains a listing of missions ranging from proposed missions to manifested. Missions can be entered by our user community through data input tools. Data is then accessed by users through various search engines: orbit parameters, ride-share opportunities, spacecraft parameters, other mission notes, launch vehicle, and contact information. (2) Launch Vehicle Toolboxes. The launch vehicle toolboxes provide the user a full range of information on vehicle classes and individual configurations. Topics include: general information, environments, performance, payload interface, available volume, and launch sites.

A method to measure internal contact angle in opaque systems by magnetic resonance imaging.

PubMed

Zhu, Weiqin; Tian, Ye; Gao, Xuefeng; Jiang, Lei

2013-07-23

Internal contact angle is an important parameter for internal wettability characterization. However, due to the limitation of optical imaging, methods available for contact angle measurement are only suitable for transparent or open systems. For most of the practical situations that require contact angle measurement in opaque or enclosed systems, the traditional methods are not effective. Based upon the requirement, a method suitable for contact angle measurement in nontransparent systems is developed by employing MRI technology. In the Article, the method is demonstrated by measuring internal contact angles in opaque cylindrical tubes. It proves that the method also shows great feasibility in transparent situations and opaque capillary systems. By using the method, contact angle in opaque systems could be measured successfully, which is significant in understanding the wetting behaviors in nontransparent systems and calculating interfacial parameters in enclosed systems.

Algorithm sensitivity analysis and parameter tuning for tissue image segmentation pipelines

PubMed Central

Kurç, Tahsin M.; Taveira, Luís F. R.; Melo, Alba C. M. A.; Gao, Yi; Kong, Jun; Saltz, Joel H.

2017-01-01

Abstract Motivation: Sensitivity analysis and parameter tuning are important processes in large-scale image analysis. They are very costly because the image analysis workflows are required to be executed several times to systematically correlate output variations with parameter changes or to tune parameters. An integrated solution with minimum user interaction that uses effective methodologies and high performance computing is required to scale these studies to large imaging datasets and expensive analysis workflows. Results: The experiments with two segmentation workflows show that the proposed approach can (i) quickly identify and prune parameters that are non-influential; (ii) search a small fraction (about 100 points) of the parameter search space with billions to trillions of points and improve the quality of segmentation results (Dice and Jaccard metrics) by as much as 1.42× compared to the results from the default parameters; (iii) attain good scalability on a high performance cluster with several effective optimizations. Conclusions: Our work demonstrates the feasibility of performing sensitivity analyses, parameter studies and auto-tuning with large datasets. The proposed framework can enable the quantification of error estimations and output variations in image segmentation pipelines. Availability and Implementation: Source code: https://github.com/SBU-BMI/region-templates/. Contact: teodoro@unb.br Supplementary information: Supplementary data are available at Bioinformatics online. PMID:28062445

Using Contact Work in Interactions with Adults with Learning Disabilities and Autistic Spectrum Disorders

ERIC Educational Resources Information Center

Brooks, Sharon; Paterson, Gail

2011-01-01

This article describes a project about using contact work with people with learning disabilities and autistic spectrum disorder. People with learning disabilities and additional autistic spectrum disorder are at risk of becoming socially isolated because of their difficulties in interacting with others. Contact work is a form of Pre-Therapy, which…

The Role of Ethnic Contact in Facilitating Interactions between Minority and Han College Students

ERIC Educational Resources Information Center

Chenghai, Gao

2017-01-01

At a multiethnic school in the northwest region, the author chose 670 minority and Han college students as study subjects and investigated the relationships among the three variables of ethnic contact, implicit ethnic theories (essentialism vs. constructivism), and attitudes on interaction. The study results show that ethnic contact can facilitate…

Interaction of the Human Contact System with Pathogens-An Update.

PubMed

Oehmcke-Hecht, Sonja; Köhler, Juliane

2018-01-01

The name human contact system is related to its mode of action, as "contact" with artificial negatively charged surfaces triggers its activation. Today, it is generally believed that the contact system is an inflammatory response mechanism not only against artificial material but also against misfolded proteins and foreign organisms. Upon activation, the contact system is involved in at least two distinct (patho)physiologic processes: i . the trigger of the intrinsic coagulation via factor XI and ii . the cleavage of high molecular weight kininogen with release of bradykinin and antimicrobial peptides (AMPs). Bradykinin is involved in the regulation of inflammatory processes, vascular permeability, and blood pressure. Due to the release of AMPs, the contact system is regarded as a branch of the innate immune defense against microorganisms. There is an increasing list of pathogens that interact with contact factors, in addition to bacteria also fungi and viruses bind and activate the system. In spite of that, pathogens have developed their own mechanisms to activate the contact system, resulting in manipulation of this host immune response. In this up-to-date review, we summarize present research on the interaction of pathogens with the human contact system, focusing particularly on bacterial and viral mechanisms that trigger inflammation via contact system activation.

Microcrystalline silicon thin-film transistors for large area electronic applications

NASA Astrophysics Data System (ADS)

Chan, Kah-Yoong; Bunte, Eerke; Knipp, Dietmar; Stiebig, Helmut

2007-11-01

Thin-film transistors (TFTs) based on microcrystalline silicon (µc-Si:H) exhibit high charge carrier mobilities exceeding 35 cm2 V-1 s-1. The devices are fabricated by plasma-enhanced chemical vapor deposition at substrate temperatures below 200 °C. The fabrication process of the µc-Si:H TFTs is similar to the low temperature fabrication of amorphous silicon TFTs. The electrical characteristics of the µc-Si:H-based transistors will be presented. As the device charge carrier mobility of short channel TFTs is limited by the contacts, the influence of the drain and source contacts on the device parameters including the device charge carrier mobility and the device threshold voltage will be discussed. The experimental data will be described by a modified standard transistor model which accounts for the contact effects. Furthermore, the transmission line method was used to extract the device parameters including the contact resistance. The modified standard transistor model and the transmission line method will be compared in terms of the extracted device parameters and contact resistances.

Contact angle and local wetting at contact line.

PubMed

Li, Ri; Shan, Yanguang

2012-11-06

This theoretical study was motivated by recent experiments and theoretical work that had suggested the dependence of the static contact angle on the local wetting at the triple-phase contact line. We revisit this topic because the static contact angle as a local wetting parameter is still not widely understood and clearly known. To further clarify the relationship of the static contact angle with wetting, two approaches are applied to derive a general equation for the static contact angle of a droplet on a composite surface composed of heterogeneous components. A global approach based on the free surface energy of a thermodynamic system containing the droplet and solid surface shows the static contact angle as a function of local surface chemistry and local wetting state at the contact line. A local approach, in which only local forces acting on the contact line are considered, results in the same equation. The fact that the local approach agrees with the global approach further demonstrates the static contact angle as a local wetting parameter. Additionally, the study also suggests that the wetting described by the Wenzel and Cassie equations is also the local wetting of the contact line rather than the global wetting of the droplet.

Prediction of contact mechanics in metal-on-metal Total Hip Replacement for parametrically comprehensive designs and loads.

PubMed

Donaldson, Finn E; Nyman, Edward; Coburn, James C

2015-07-16

Manufacturers and investigators of Total Hip Replacement (THR) bearings require tools to predict the contact mechanics resulting from diverse design and loading parameters. This study provides contact mechanics solutions for metal-on-metal (MoM) bearings that encompass the current design space and could aid pre-clinical design optimization and evaluation. Stochastic finite element (FE) simulation was used to calculate the head-on-cup contact mechanics for five thousand combinations of design and loading parameters. FE results were used to train a Random Forest (RF) surrogate model to rapidly predict the contact patch dimensions, contact area, pressures and plastic deformations for arbitrary designs and loading. In addition to widely observed polar and edge contact, FE results included ring-polar, asymmetric-polar, and transitional categories which have previously received limited attention. Combinations of design and load parameters associated with each contact category were identified. Polar contact pressures were predicted in the range of 0-200 MPa with no permanent deformation. Edge loading (with subluxation) was associated with pressures greater than 500 MPa and induced permanent deformation in 83% of cases. Transitional-edge contact (with little subluxation) was associated with intermediate pressures and permanent deformation in most cases, indicating that, even with ideal anatomical alignment, bearings may face extreme wear challenges. Surrogate models were able to accurately predict contact mechanics 18,000 times faster than FE analyses. The developed surrogate models enable rapid prediction of MoM bearing contact mechanics across the most comprehensive range of loading and designs to date, and may be useful to those performing bearing design optimization or evaluation. Published by Elsevier Ltd.

PyContact: Rapid, Customizable, and Visual Analysis of Noncovalent Interactions in MD Simulations.

PubMed

Scheurer, Maximilian; Rodenkirch, Peter; Siggel, Marc; Bernardi, Rafael C; Schulten, Klaus; Tajkhorshid, Emad; Rudack, Till

2018-02-06

Molecular dynamics (MD) simulations have become ubiquitous in all areas of life sciences. The size and model complexity of MD simulations are rapidly growing along with increasing computing power and improved algorithms. This growth has led to the production of a large amount of simulation data that need to be filtered for relevant information to address specific biomedical and biochemical questions. One of the most relevant molecular properties that can be investigated by all-atom MD simulations is the time-dependent evolution of the complex noncovalent interaction networks governing such fundamental aspects as molecular recognition, binding strength, and mechanical and structural stability. Extracting, evaluating, and visualizing noncovalent interactions is a key task in the daily work of structural biologists. We have developed PyContact, an easy-to-use, highly flexible, and intuitive graphical user interface-based application, designed to provide a toolkit to investigate biomolecular interactions in MD trajectories. PyContact is designed to facilitate this task by enabling identification of relevant noncovalent interactions in a comprehensible manner. The implementation of PyContact as a standalone application enables rapid analysis and data visualization without any additional programming requirements, and also preserves full in-program customization and extension capabilities for advanced users. The statistical analysis representation is interactively combined with full mapping of the results on the molecular system through the synergistic connection between PyContact and VMD. We showcase the capabilities and scientific significance of PyContact by analyzing and visualizing in great detail the noncovalent interactions underlying the ion permeation pathway of the human P2X 3 receptor. As a second application, we examine the protein-protein interaction network of the mechanically ultrastable cohesin-dockering complex. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Discrete Element Method Simulations of the Inter-Particle Contact Parameters for the Mono-Sized Iron Ore Particles

PubMed Central

Li, Tongqing; Peng, Yuxing; Zhu, Zhencai; Zou, Shengyong; Yin, Zixin

2017-01-01

Aiming at predicting what happens in reality inside mills, the contact parameters of iron ore particles for discrete element method (DEM) simulations should be determined accurately. To allow the irregular shape to be accurately determined, the sphere clump method was employed in modelling the particle shape. The inter-particle contact parameters were systematically altered whilst the contact parameters between the particle and wall were arbitrarily assumed, in order to purely assess its impact on the angle of repose for the mono-sized iron ore particles. Results show that varying the restitution coefficient over the range considered does not lead to any obvious difference in the angle of repose, but the angle of repose has strong sensitivity to the rolling/static friction coefficient. The impacts of the rolling/static friction coefficient on the angle of repose are interrelated, and increasing the inter-particle rolling/static friction coefficient can evidently increase the angle of repose. However, the impact of the static friction coefficient is more profound than that of the rolling friction coefficient. Finally, a predictive equation is established and a very close agreement between the predicted and simulated angle of repose is attained. This predictive equation can enormously shorten the inter-particle contact parameters calibration time that can help in the implementation of DEM simulations. PMID:28772880

Effects of service condition on rolling contact fatigue failure mechanism and lifetime of thermal spray coatings—A review

NASA Astrophysics Data System (ADS)

Cui, Huawei; Cui, Xiufang; Wang, Haidou; Xing, Zhiguo; Jin, Guo

2015-01-01

The service condition determines the Rolling Contact Fatigue(RCF) failure mechanism and lifetime under ascertain material structure integrity parameter of thermal spray coating. The available literature on the RCF testing of thermal spray coatings under various condition services is considerable; it is generally difficult to synthesize all of the result to obtain a comprehensive understanding of the parameters which has a great effect on a thermal spray coating's resistance of RCF. The effects of service conditions(lubrication states, contact stresses, revolve speed, and slip ratio) on the changing of thermal spray coatings' contact fatigue lifetime is introduced systematically. The effects of different service condition on RCF failure mechanism of thermal spray coating from the change of material structure integrity are also summarized. Moreover, In order to enhance the RCF performance, the parameter optimal design formula of service condition and material structure integrity is proposed based on the effect of service condition on thermal spray coatings' contact fatigue lifetime and RCF failure mechanism. The shortage of available literature and the forecast focus in future researches are discussed based on available research. The explicit result of RCF lifetime law and parameter optimal design formula in term of lubrication states, contact stresses, revolve speed, and slip ratio, is significant to improve the RCF performance on the engineering application.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Simple Common Plane contact algorithm for explicit FE/FD methods

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

Vorobiev, O

2006-12-18

Common-plane (CP) algorithm is widely used in Discrete Element Method (DEM) to model contact forces between interacting particles or blocks. A new simple contact algorithm is proposed to model contacts in FE/FD methods which is similar to the CP algorithm. The CP is defined as a plane separating interacting faces of FE/FD mesh instead of blocks or particles used in the original CP method. The new method does not require iterations even for very stiff contacts. It is very robust and easy to implement both in 2D and 3D parallel codes.

Children with Autism Spectrum Disorders Make a Fruit Salad with Probo, the Social Robot: An Interaction Study.

PubMed

Simut, Ramona E; Vanderfaeillie, Johan; Peca, Andreea; Van de Perre, Greet; Vanderborght, Bram

2016-01-01

Social robots are thought to be motivating tools in play tasks with children with autism spectrum disorders. Thirty children with autism were included using a repeated measurements design. It was investigated if the children's interaction with a human differed from the interaction with a social robot during a play task. Also, it was examined if the two conditions differed in their ability to elicit interaction with a human accompanying the child during the task. Interaction of the children with both partners did not differ apart from the eye-contact. Participants had more eye-contact with the social robot compared to the eye-contact with the human. The conditions did not differ regarding the interaction elicited with the human accompanying the child.

Simple analytical model of a thermal diode

NASA Astrophysics Data System (ADS)

Kaushik, Saurabh; Kaushik, Sachin; Marathe, Rahul

2018-05-01

Recently there is a lot of attention given to manipulation of heat by constructing thermal devices such as thermal diodes, transistors and logic gates. Many of the models proposed have an asymmetry which leads to the desired effect. Presence of non-linear interactions among the particles is also essential. But, such models lack analytical understanding. Here we propose a simple, analytically solvable model of a thermal diode. Our model consists of classical spins in contact with multiple heat baths and constant external magnetic fields. Interestingly the magnetic field is the only parameter required to get the effect of heat rectification.

Molecular Dynamics Characterization of Protein Crystal Contacts in Aqueous Solutions

NASA Astrophysics Data System (ADS)

Pellicane, Giuseppe; Smith, Graham; Sarkisov, Lev

2008-12-01

We employ nonequilibrium molecular dynamics simulation to characterize the effective interactions between lysozyme molecules involved in the formation of two hydrophobic crystal contacts. We show that the effective interactions between crystal contacts do not exceed a few kT, the range of the attractive part of the potential is less than 4 Å, and, within this range, there is a significant depletion of water density between two protein contacts. Our findings highlight the different natures of protein crystallization and protein recognition processes.

Normalization of load and clearance effects in ball-in-socket-like replacements.

PubMed

Ciavarella, M; Strozzi, A; Baldini, A; Giacopini, M

2007-08-01

A normalizing loading parameter useful in summarising the mechanical response of plane pin-in-plate-like contacts is extended to axisymmetric ball-in-socket-like contacts. An example addressing a compliant layered artificial hip joint is presented, and the usefulness of the normalizing loading parameter is evidenced.

Symmetry-broken states in a system of interacting bosons on a two-leg ladder with a uniform Abelian gauge field

NASA Astrophysics Data System (ADS)

Greschner, S.; Piraud, M.; Heidrich-Meisner, F.; McCulloch, I. P.; Schollwöck, U.; Vekua, T.

2016-12-01

We study the quantum phases of bosons with repulsive contact interactions on a two-leg ladder in the presence of a uniform Abelian gauge field. The model realizes many interesting states, including Meissner phases, vortex fluids, vortex lattices, charge density waves, and the biased-ladder phase. Our work focuses on the subset of these states that breaks a discrete symmetry. We use density matrix renormalization group simulations to demonstrate the existence of three vortex-lattice states at different vortex densities and we characterize the phase transitions from these phases into neighboring states. Furthermore, we provide an intuitive explanation of the chiral-current reversal effect that is tied to some of these vortex lattices. We also study a charge-density-wave state that exists at 1/4 particle filling at large interaction strengths and flux values close to half a flux quantum. By changing the system parameters, this state can transition into a completely gapped vortex-lattice Mott-insulating state. We elucidate the stability of these phases against nearest-neighbor interactions on the rungs of the ladder relevant for experimental realizations with a synthetic lattice dimension. A charge-density-wave state at 1/3 particle filling can be stabilized for flux values close to half a flux quantum and for very strong on-site interactions in the presence of strong repulsion on the rungs. Finally, we analytically describe the emergence of these phases in the low-density regime, and, in particular, we obtain the boundaries of the biased-ladder phase, i.e., the phase that features a density imbalance between the legs. We make contact with recent quantum-gas experiments that realized related models and discuss signatures of these quantum states in experimentally accessible observables.

On Docking, Scoring and Assessing Protein-DNA Complexes in a Rigid-Body Framework

PubMed Central

Parisien, Marc; Freed, Karl F.; Sosnick, Tobin R.

2012-01-01

We consider the identification of interacting protein-nucleic acid partners using the rigid body docking method FTdock, which is systematic and exhaustive in the exploration of docking conformations. The accuracy of rigid body docking methods is tested using known protein-DNA complexes for which the docked and undocked structures are both available. Additional tests with large decoy sets probe the efficacy of two published statistically derived scoring functions that contain a huge number of parameters. In contrast, we demonstrate that state-of-the-art machine learning techniques can enormously reduce the number of parameters required, thereby identifying the relevant docking features using a miniscule fraction of the number of parameters in the prior works. The present machine learning study considers a 300 dimensional vector (dependent on only 15 parameters), termed the Chemical Context Profile (CCP), where each dimension reflects a specific type of protein amino acid-nucleic acid base interaction. The CCP is designed to capture the chemical complementarities of the interface and is well suited for machine learning techniques. Our objective function is the Chemical Context Discrepancy (CCD), which is defined as the angle between the native system's CCP vector and the decoy's vector and which serves as a substitute for the more commonly used root mean squared deviation (RMSD). We demonstrate that the CCP provides a useful scoring function when certain dimensions are properly weighted. Finally, we explore how the amino acids on a protein's surface can help guide DNA binding, first through long-range interactions, followed by direct contacts, according to specific preferences for either the major or minor grooves of the DNA. PMID:22393431

Measurement accuracy of a stressed contact lens during its relaxation period

NASA Astrophysics Data System (ADS)

Compertore, David C.; Ignatovich, Filipp V.

2018-02-01

We examine the dioptric power and transmitted wavefront of a contact lens as it releases its handling stresses. Handling stresses are introduced as part of the contact lens loading process and are common across all contact lens measurement procedures and systems. The latest advances in vision correction require tighter quality control during the manufacturing of the contact lenses. The optical power of contact lenses is one of the critical characteristics for users. Power measurements are conducted in the hydrated state, where the lens is resting inside a solution-filled glass cuvette. In a typical approach, the contact lens must be subject to long settling times prior to any measurements. Alternatively, multiple measurements must be averaged. Apart from potential operator dependency of such approach, it is extremely time-consuming, and therefore it precludes higher rates of testing. Comprehensive knowledge about the settling process can be obtained by monitoring multiple parameters of the lens simultaneously. We have developed a system that combines co-aligned a Shack-Hartmann transmitted wavefront sensor and a time-domain low coherence interferometer to measure several optical and physical parameters (power, cylinder power, aberrations, center thickness, sagittal depth, and diameter) simultaneously. We monitor these parameters during the stress relaxation period and show correlations that can be used by manufacturers to devise methods for improved quality control procedures.

Bacterial Two-Hybrid Analysis of Interactions between Region 4 of the ς70 Subunit of RNA Polymerase and the Transcriptional Regulators Rsd from Escherichia coli and AlgQ from Pseudomonas aeruginosa

PubMed Central

Dove, Simon L.; Hochschild, Ann

2001-01-01

A number of transcriptional regulators mediate their effects through direct contact with the ς70 subunit of Escherichia coli RNA polymerase (RNAP). In particular, several regulators have been shown to contact a C-terminal portion of ς70 that harbors conserved region 4. This region of ς contains a putative helix-turn-helix DNA-binding motif that contacts the −35 element of ς70-dependent promoters directly. Here we report the use of a recently developed bacterial two-hybrid system to study the interaction between the putative anti-ς factor Rsd and the ς70 subunit of E. coli RNAP. Using this system, we found that Rsd can interact with an 86-amino-acid C-terminal fragment of ς70 and also that amino acid substitution R596H, within region 4 of ς70, weakens this interaction. We demonstrated the specificity of this effect by showing that substitution R596H does not weaken the interaction between ς and two other regulators shown previously to contact region 4 of ς70. We also demonstrated that AlgQ, a homolog of Rsd that positively regulates virulence gene expression in Pseudomonas aeruginosa, can contact the C-terminal region of the ς70 subunit of RNAP from this organism. We found that amino acid substitution R600H in ς70 from P. aeruginosa, corresponding to the R596H substitution in E. coli ς70, specifically weakens the interaction between AlgQ and ς70. Taken together, our findings suggest that Rsd and AlgQ contact similar surfaces of RNAP present in region 4 of ς70 and probably regulate gene expression through this contact. PMID:11591686

Bacterial two-hybrid analysis of interactions between region 4 of the sigma(70) subunit of RNA polymerase and the transcriptional regulators Rsd from Escherichia coli and AlgQ from Pseudomonas aeruginosa.

PubMed

Dove, S L; Hochschild, A

2001-11-01

A number of transcriptional regulators mediate their effects through direct contact with the sigma(70) subunit of Escherichia coli RNA polymerase (RNAP). In particular, several regulators have been shown to contact a C-terminal portion of sigma(70) that harbors conserved region 4. This region of sigma contains a putative helix-turn-helix DNA-binding motif that contacts the -35 element of sigma(70)-dependent promoters directly. Here we report the use of a recently developed bacterial two-hybrid system to study the interaction between the putative anti-sigma factor Rsd and the sigma(70) subunit of E. coli RNAP. Using this system, we found that Rsd can interact with an 86-amino-acid C-terminal fragment of sigma(70) and also that amino acid substitution R596H, within region 4 of sigma(70), weakens this interaction. We demonstrated the specificity of this effect by showing that substitution R596H does not weaken the interaction between sigma and two other regulators shown previously to contact region 4 of sigma(70). We also demonstrated that AlgQ, a homolog of Rsd that positively regulates virulence gene expression in Pseudomonas aeruginosa, can contact the C-terminal region of the sigma(70) subunit of RNAP from this organism. We found that amino acid substitution R600H in sigma(70) from P. aeruginosa, corresponding to the R596H substitution in E. coli sigma(70), specifically weakens the interaction between AlgQ and sigma(70). Taken together, our findings suggest that Rsd and AlgQ contact similar surfaces of RNAP present in region 4 of sigma(70) and probably regulate gene expression through this contact.

Piezoviscous effects in nonconformal contacts lubricated hydrodynamically

NASA Technical Reports Server (NTRS)

Jeng, Y. R.; Hamrock, B. J.; Brewe, D. E.

1985-01-01

The analysis is concerned with the piezoviscous-rigid regime of lubrication for the general case of elliptical contacts. In this regime several formulas of the lubricant film thickness have been proposed by Hamrock and Dowson, by Dowson et al., and more recently by Houpert. However, either they do not include the load parameter W, which has a strong effect on film thickness, or they overestimate the film thickness by using the Barus formula for pressure-viscosity characteristics. The Roelands formula was used for the pressure-viscosity relationship. The effects of the dimensionless load, speed, and materials parameters, the radius ratio, and the lubricant entrainment direction were investigated. The dimensionless load parameter was varied over a range of one order of magnitude. The dimensionless speed parameter was varied by 5.6 times the lowest value. Conditions corresponding to the use of solid materials of steel, bronze, and silicon nitride and lubricants of paraffinic and naphthenic mineral oil were considered in obtaining the exponent in the dimensionless materials parameter. The radius ratio was varied from 0.2 to 64 (a configuration approaching a line contact). Forty-one cases were used in obtaining a minimum film thickness formula. Contour plots indicate in detail the pressure developed between the contacting solids.

Piezoviscous effects in nonconformal contacts lubricated hydrodynamically

NASA Technical Reports Server (NTRS)

Jeng, Yeau-Ren; Hamrock, Bernard J.; Brewe, David E.

1987-01-01

The analysis is concerned with the piezoviscous-rigid regime of lubrication for the general case of elliptical contacts. In this regime several formulas of the lubricant film thickness have been proposed by Hamrock and Dowson, by Dowson et al., and more recently by Houpert. However, either they do not include the load parameter W, which has a strong effect on film thickness, or they overestimate the film thickness by using the Barus formula for pressure-viscosity characteristics. The Roelands formula was used for the pressure-viscosity relationship. The effects of the dimensionless load, speed, and materials parameters, the radius ratio, and the lubricant entrainment direction were investigated. The dimensionless load parameter was varied over a range of one order of magnitude. The dimensionless speed parameter was varied by 5.6 times the lowest value. Conditions corresponding to the use of solid materials of steel, bronze, and silicon nitride and lubricants of paraffinic and naphthenic mineral oil were considered in obtaining the exponent in the dimensionless materials parameter. The radius ratio was varied from 0.2 to 64 (a configuration approaching a line contact). Forty-one cases were used in obtaining a minimum film thickness formula. Contour plots indicate in detail the pressure developed between the contacting solids.

Logarithmic contact time dependence of adhesion force and its dominant role among the effects of AFM experimental parameters under low humidity

NASA Astrophysics Data System (ADS)

Lai, Tianmao; Meng, Yonggang

2017-10-01

The influences of contact time, normal load, piezo velocity, and measurement number of times on the adhesion force between two silicon surfaces were studied with an atomic force microscope (AFM) at low humidity (17-15%). Results show that the adhesion force is time-dependent and increases logarithmically with contact time until saturation is reached, which is related with the growing size of a water bridge between them. The contact time plays a dominant role among these parameters. The adhesion forces with different normal loads and piezo velocities can be quantitatively obtained just by figuring out the length of contact time, provided that the contact time dependence is known. The time-dependent adhesion force with repeated contacts at one location usually increases first sharply and then slowly with measurement number of times until saturation is reached, which is in accordance with the contact time dependence. The behavior of the adhesion force with repeated contacts can be adjusted by the lengths of contact time and non-contact time. These results may help facilitate the anti-adhesion design of silicon-based microscale systems working under low humidity.

Effect of long-range repulsive Coulomb interactions on packing structure of adhesive particles.

PubMed

Chen, Sheng; Li, Shuiqing; Liu, Wenwei; Makse, Hernán A

2016-02-14

The packing of charged micron-sized particles is investigated using discrete element simulations based on adhesive contact dynamic model. The formation process and the final obtained structures of ballistic packings are studied to show the effect of interparticle Coulomb force. It is found that increasing the charge on particles causes a remarkable decrease of the packing volume fraction ϕ and the average coordination number 〈Z〉, indicating a looser and chainlike structure. Force-scaling analysis shows that the long-range Coulomb interaction changes packing structures through its influence on particle inertia before they are bonded into the force networks. Once contact networks are formed, the expansion effect caused by repulsive Coulomb forces are dominated by short-range adhesion. Based on abundant results from simulations, a dimensionless adhesion parameter Ad*, which combines the effects of the particle inertia, the short-range adhesion and the long-range Coulomb interaction, is proposed and successfully scales the packing results for micron-sized particles within the latest derived adhesive loose packing (ALP) regime. The structural properties of our packings follow well the recent theoretical prediction which is described by an ensemble approach based on a coarse-grained volume function, indicating some kind of universality in the low packing density regime of the phase diagram regardless of adhesion or particle charge. Based on the comprehensive consideration of the complicated inter-particle interactions, our findings provide insight into the roles of short-range adhesion and repulsive Coulomb force during packing formation and should be useful for further design of packings.

Observations and analysis of the contact binary H 235 in the open cluster NGC 752

NASA Astrophysics Data System (ADS)

Milone, E. F.; Stagg, C. R.; Sugars, B. A.; McVean, J. R.; Schiller, S. J.; Kallrath, J.; Bradstreet, D. H.

1995-01-01

The short-period variable star Heinemann 235 in the open cluster NGC 752 has been identified as a contact binary with a variable period of about 0 d 4118. BVRI light curves and radial velocity curves have been obtained and analyzed with enhanced versions of the Wilson-Devinney light curve program. We find that the system is best modeled as an A-type W UMa system, with a contact parameter of 0.21 +/- 0.11. The masses of the components are found to be 1.18 +/- 0.17 and 0.24 +/- 0.04 solar mass, with bolometric magnitudes of 3.60 +/- 0.10 and 5.21 +/- 0.13, for the hotter (6500 K, assumed) and cooler (6421 K) components, respectively, with Delta T=79 +/- 25 K. The distance to the binary is established at 381 +/- 17 pc. H235 becomes one of a relatively small number of open-cluster contact systems with detailed light curve analysis for which an age may be estimated. If it is coeval with the cluster, and with the detached eclipsing and double-lined spectroscopic binary H219 (DS And), H235 is approximately 1.8 Gyr old, and may provide a fiducial point for the evolution of contact systems. There is, however, evidence for dynamical evolution of the cluster and the likelihood of weak interactions over the age of the binary precludes the determination of its initial state with certainty.

Modelling, validation and analysis of a three-dimensional railway vehicle-track system model with linear and nonlinear track properties in the presence of wheel flats

NASA Astrophysics Data System (ADS)

Uzzal, R. U. A.; Ahmed, A. K. W.; Bhat, R. B.

2013-11-01

This paper presents dynamic contact loads at wheel-rail contact point in a three-dimensional railway vehicle-track model as well as dynamic response at vehicle-track component levels in the presence of wheel flats. The 17-degrees of freedom lumped mass vehicle is modelled as a full car body, two bogies and four wheelsets, whereas the railway track is modelled as two parallel Timoshenko beams periodically supported by lumped masses representing the sleepers. The rail beam is also supported by nonlinear spring and damper elements representing the railpad and ballast. In order to ensure the interactions between the railpads, a shear parameter beneath the rail beams has also been considered into the model. The wheel-rail contact is modelled using nonlinear Hertzian contact theory. In order to solve the coupled partial and ordinary differential equations of the vehicle-track system, modal analysis method is employed. Idealised Haversine wheel flats with the rounded corner are included in the wheel-rail contact model. The developed model is validated with the existing measured and analytical data available in the literature. The nonlinear model is then employed to investigate the wheel-rail impact forces that arise in the wheel-rail interface due to the presence of wheel flats. The validated model is further employed to investigate the dynamic responses of vehicle and track components in terms of displacement, velocity, and acceleration in the presence of single wheel flat.

Effective Wettability of Heterogenous Fracture Surfaces Using the Lattice-Boltzmann Method

NASA Astrophysics Data System (ADS)

E Santos, J.; Prodanovic, M.; Landry, C. J.

2017-12-01

Fracture walls in the subsurface are often structured by minerals of different composition (potentially further altered in contact with fluids during hydrocarbon extraction or CO2 sequestration), this yields in a heterogeneous wettability of the surface in contact with the fluids. The focus of our work is to study how surfaces presenting different mineralogy and roughness affect multiphase flow in fractures. Using the Shan-Chen model of the lattice-Boltzmann method (LBM) we define fluid interaction and surface attraction parameters to simulate a system of a wetting and a non-wetting fluid. In this work, we use synthetically created fractures presenting different arrangements of wetting and non-wetting patches, and with or without roughness; representative of different mineralogy, similar workflow can be applied to fractures extracted from X-ray microtomography images of fractures porous media. The results from the LBM simulations provide an insight on how the distribution of mineralogy and surface roughness are related with the observed macroscopic contact angle. We present a comparison between the published analytical models, and our results based on surface areas, spatial distribution and local fracture aperture. The understanding of the variables that affect the contact angle is useful for the comprehension of multiphase processes in naturally fractured reservoirs like primary oil production, enhanced oil recovery and CO2 sequestration. The macroscopic contact angle analytical equations for heterogeneous surfaces with variable roughness are no longer valid in highly heterogeneous systems; we quantify the difference thus offering an alternative to analytical models.

Comparing maximum intercuspal contacts of virtual dental patients and mounted dental casts.

PubMed

Delong, Ralph; Ko, Ching-Chang; Anderson, Gary C; Hodges, James S; Douglas, W H

2002-12-01

Quantitative measures of occlusal contacts are of paramount importance in the study of chewing dysfunction. A tool is needed to identify and quantify occlusal parameters without occlusal interference caused by the technique of analysis. This laboratory simulation study compared occlusal contacts constructed from 3-dimensional images of dental casts and interocclusal records with contacts found by use of conventional methods. Dental casts of 10 completely dentate adults were mounted in a semi-adjustable Denar articulator. Maximum intercuspal contacts were marked on the casts using red film. Intercuspal records made with an experimental vinyl polysiloxane impression material recorded maximum intercuspation. Three-dimensional virtual models of the casts and interocclusal records were made using custom software and an optical scanner. Contacts were calculated between virtual casts aligned manually (CM), aligned with interocclusal records scanned seated on the mandibular casts (C1) or scanned independently (C2), and directly from virtual interocclusal records (IR). Sensitivity and specificity calculations used the marked contacts as the standard. Contact parameters were compared between method pairs. Statistical comparisons used analysis of variance and the Tukey-Kramer post hoc test (P=<.05). Sensitivities (range 0.76-0.89) did not differ significantly among the 4 methods (P=.14); however, specificities (range 0.89-0.98) were significantly lower for IR (P=.0001). Contact parameters of methods CM, C1, and C2 differed significantly from those of method IR (P<.02). The ranking based on method pair comparisons was C2/C1 > CM/C1 = CM/C2 > C2/IR > CM/IR > C1/IR, where ">" means "closer than." Within the limits of this study, occlusal contacts calculated from aligned virtual casts accurately reproduce articulator contacts.

Influencing Academic Motivation: The Effects of Student-Faculty Interaction

ERIC Educational Resources Information Center

Trolian, Teniell L.; Jach, Elizabeth A.; Hanson, Jana M.; Pascarella, Ernest T.

2016-01-01

Using data from the Wabash National Study of Liberal Arts Education, we examined the influence of student-faculty interactions on student academic motivation over 4 years of college. Results suggest that several forms of student-faculty interaction, such as quality of faculty contact, frequency of faculty contact, research with faculty, personal…

The Effects of School Holidays on Transmission of Varicella Zoster Virus, England and Wales, 1967–2008

PubMed Central

Jackson, Charlotte; Mangtani, Punam; Fine, Paul; Vynnycky, Emilia

2014-01-01

Background Changes in children’s contact patterns between termtime and school holidays affect the transmission of several respiratory-spread infections. Transmission of varicella zoster virus (VZV), the causative agent of chickenpox, has also been linked to the school calendar in several settings, but temporal changes in the proportion of young children attending childcare centres may have influenced this relationship. Methods We used two modelling methods (a simple difference equations model and a Time series Susceptible Infectious Recovered (TSIR) model) to estimate fortnightly values of a contact parameter (the per capita rate of effective contact between two specific individuals), using GP consultation data for chickenpox in England and Wales from 1967–2008. Results The estimated contact parameters were 22–31% lower during the summer holiday than during termtime. The relationship between the contact parameter and the school calendar did not change markedly over the years analysed. Conclusions In England and Wales, reductions in contact between children during the school summer holiday lead to a reduction in the transmission of VZV. These estimates are relevant for predicting how closing schools and nurseries may affect an outbreak of an emerging respiratory-spread pathogen. PMID:24932994

Techniques to measure sorption and migration between small molecules and packaging. A critical review.

PubMed

Kadam, Ashish A; Karbowiak, Thomas; Voilley, Andrée; Debeaufort, Frédéric

2015-05-01

The mass transfer parameters diffusion and sorption in food and packaging or between them are the key parameters for assessing a food product's shelf-life in reference to consumer safety. This has become of paramount importance owing to the legislations set by the regulated markets. The technical capabilities that can be exploited for analyzing product-package interactions have been growing rapidly. Different techniques categorized according to the state of the diffusant (gas or liquid) in contact with the packaging material are emphasized in this review. Depending on the diffusant and on the analytical question under review, the different ways to study sorption and/or migration are presented and compared. Some examples have been suggested to reach the best possible choice, consisting of a single technique or a combination of different approaches. © 2014 Society of Chemical Industry.

Experimental and theoretical study using DFT method for the competitive adsorption of two cationic dyes from wastewaters

NASA Astrophysics Data System (ADS)

Regti, Abdelmajid; Ayouchia, Hicham Ben El; Laamari, My Rachid; Stiriba, Salah Eddine; Anane, Hafid; Haddad, Mohammadine El

2016-12-01

The adsorption of cationic dyes, Basic Yellow (BY28) and Methylene Blue (MB) on a new activated carbon from medlar species were studied in both single and binary system. Some experimental parameters, namely, pH, amount of adsorbent and contact time are studied. Quantum chemical results indicate that the adsorption efficiency was directly related to the dye electrophilicity power. Some theorical parameters were calculated and proved that MB is more electrophilic than BY28, than greatest interaction with surface sites. Kinetic study showed that the adsorption follows the pseudo-second-order model and Freundlich was the best model to describe the phenomenon in the single and binary system. According to the local reactivity results using Parr functions, the sulphur and nitrogen atoms will be the main adsorption sites.

Correlation between Ti source/drain contact and performance of InGaZnO-based thin film transistors

NASA Astrophysics Data System (ADS)

Choi, Kwang-Hyuk; Kim, Han-Ki

2013-02-01

Ti contact properties and their electrical contribution to an amorphous InGaZnO (a-IGZO) semiconductor-based thin film transistor (TFT) were investigated in terms of chemical, structural, and electrical considerations. TFT device parameters were quantitatively studied by a transmission line method. By comparing various a-IGZO TFT parameters with those of different Ag and Ti source/drain electrodes, Ti S/D contact with an a-IGZO channel was found to lead to a negative shift in VT (-Δ 0.52 V). This resulted in higher saturation mobility (8.48 cm2/Vs) of a-IGZO TFTs due to effective interfacial reaction between Ti and an a-IGZO semiconducting layer. Based on transmission electron microcopy, x-ray photoelectron depth profile analyses, and numerical calculation of TFT parameters, we suggest a possible Ti contact mechanism on semiconducting a-IGZO channel layers for TFTs.

Determination of the dynamical behaviour of biological materials during impact using a pendulum device

NASA Astrophysics Data System (ADS)

Van Zeebroeck, M.; Tijskens, E.; Van Liedekerke, P.; Deli, V.; De Baerdemaeker, J.; Ramon, H.

2003-09-01

A pendulum device has been developed to measure contact force, displacement and displacement rate of an impactor during its impact on the sample. Displacement, classically measured by double integration of an accelerometer, was determined in an alternative way using a more accurate incremental optical encoder. The parameters of the Kuwabara-Kono contact force model for impact of spheres have been estimated using an optimization method, taking the experimentally measured displacement, displacement rate and contact force into account. The accuracy of the method was verified using a rubber ball. Contact force parameters for the Kuwabara-Kono model have been estimated with success for three biological materials, i.e., apples, tomatoes and potatoes. The variability in the parameter estimations for the biological materials was quite high and can be explained by geometric differences (radius of curvature) and by biological variation of mechanical tissue properties.

Modelling of tunnelling processes and rock cutting tool wear with the particle finite element method

NASA Astrophysics Data System (ADS)

Carbonell, Josep Maria; Oñate, Eugenio; Suárez, Benjamín

2013-09-01

Underground construction involves all sort of challenges in analysis, design, project and execution phases. The dimension of tunnels and their structural requirements are growing, and so safety and security demands do. New engineering tools are needed to perform a safer planning and design. This work presents the advances in the particle finite element method (PFEM) for the modelling and the analysis of tunneling processes including the wear of the cutting tools. The PFEM has its foundation on the Lagrangian description of the motion of a continuum built from a set of particles with known physical properties. The method uses a remeshing process combined with the alpha-shape technique to detect the contacting surfaces and a finite element method for the mechanical computations. A contact procedure has been developed for the PFEM which is combined with a constitutive model for predicting the excavation front and the wear of cutting tools. The material parameters govern the coupling of frictional contact and wear between the interacting domains at the excavation front. The PFEM allows predicting several parameters which are relevant for estimating the performance of a tunnelling boring machine such as wear in the cutting tools, the pressure distribution on the face of the boring machine and the vibrations produced in the machinery and the adjacent soil/rock. The final aim is to help in the design of the excavating tools and in the planning of the tunnelling operations. The applications presented show that the PFEM is a promising technique for the analysis of tunnelling problems.

Novel approach to automatically classify rat social behavior using a video tracking system.

PubMed

Peters, Suzanne M; Pinter, Ilona J; Pothuizen, Helen H J; de Heer, Raymond C; van der Harst, Johanneke E; Spruijt, Berry M

2016-08-01

In the past, studies in behavioral neuroscience and drug development have relied on simple and quick readout parameters of animal behavior to assess treatment efficacy or to understand underlying brain mechanisms. The predominant use of classical behavioral tests has been repeatedly criticized during the last decades because of their poor reproducibility, poor translational value and the limited explanatory power in functional terms. We present a new method to monitor social behavior of rats using automated video tracking. The velocity of moving and the distance between two rats were plotted in frequency distributions. In addition, behavior was manually annotated and related to the automatically obtained parameters for a validated interpretation. Inter-individual distance in combination with velocity of movement provided specific behavioral classes, such as moving with high velocity when "in contact" or "in proximity". Human observations showed that these classes coincide with following (chasing) behavior. In addition, when animals are "in contact", but at low velocity, behaviors such as allogrooming and social investigation were observed. Also, low dose treatment with morphine and short isolation increased the time animals spent in contact or in proximity at high velocity. Current methods that involve the investigation of social rat behavior are mostly limited to short and relatively simple manual observations. A new and automated method for analyzing social behavior in a social interaction test is presented here and shows to be sensitive to drug treatment and housing conditions known to influence social behavior in rats. Copyright © 2016 Elsevier B.V. All rights reserved.

A survey of wheel-rail contact models for rail vehicles

NASA Astrophysics Data System (ADS)

Meymand, Sajjad Z.; Keylin, Alexander; Ahmadian, Mehdi

2016-03-01

Accurate and efficient contact models for wheel-rail interaction are essential for the study of the dynamic behaviour of a railway vehicle. Assessment of the contact forces and moments, as well as contact geometry provide a fundamental foundation for such tasks as design of braking and traction control systems, prediction of wheel and rail wear, and evaluation of ride safety and comfort. This paper discusses the evolution and the current state of the theories for solving the wheel-rail contact problem for rolling stock. The well-known theories for modelling both normal contact (Hertzian and non-Hertzian) and tangential contact (Kalker's linear theory, FASTSIM, CONTACT, Polach's theory, etc.) are reviewed. The paper discusses the simplifying assumptions for developing these models and compares their functionality. The experimental studies for evaluation of contact models are also reviewed. This paper concludes with discussing open areas in contact mechanics that require further research for developing better models to represent the wheel-rail interaction.

Application of laser spot cutting on spring contact probe for semiconductor package inspection

NASA Astrophysics Data System (ADS)

Lee, Dongkyoung; Cho, Jungdon; Kim, Chan Ho; Lee, Seung Hwan

2017-12-01

A packaged semiconductor has to be electrically tested to make sure they are free of any manufacturing defects. The test interface, typically employed between a Printed Circuit Board and the semiconductor devices, consists of densely populated Spring Contact Probe (SCP). A standard SCP typically consists of a plunger, a barrel, and an internal spring. Among these components, plungers are manufactured by a stamping process. After stamping, plunger connecting arms need to be cut into pieces. Currently, mechanical cutting has been used. However, it may damage to the body of plungers due to the mechanical force engaged at the cutting point. Therefore, laser spot cutting is considered to solve this problem. The plunger arm is in the shape of a rectangular beam, 50 μm (H) × 90 μm (W). The plunger material used for this research is gold coated beryllium copper. Laser parameters, such as power and elapsed time, have been selected to study laser spot cutting. Laser material interaction characteristics such as a crater size, material removal zone, ablation depth, ablation threshold, and full penetration are observed. Furthermore, a carefully chosen laser parameter (Etotal = 1000mJ) to test feasibility of laser spot cutting are applied. The result show that laser spot cutting can be applied to cut SCP.

Doping influence on Sm1 - x Th x OFeAs superconducting properties: Observation of the effect of intrinsic multiple Andreev reflections and determination of the superconducting parameters

NASA Astrophysics Data System (ADS)

Kuzmicheva, T. E.; Kuzmichev, S. A.; Zhigadlo, N. D.

2014-04-01

We studied SNS and S-N-S-N-...-S contacts (where S is a superconductor and N is a normal metal) formed by "break-junction" technique in polycrystalline Sm1 - x Th x OFeAs superconductor samples with critical temperatures T C = 34-45 K. In such contacts (intrinsic) multiple Andreev reflections effects were observed. Using spectroscopies based on these effects, we detected two independent bulk order parameters and determined their magnitudes. Theoretical analysis of the large and the small gap temperature dependences revealed superconducting properties of Sm1 - x Th x OFeAs to be driven by intraband coupling, and (where V ij are the electron-boson interaction matrix elements), whereas the ratio between density of states for the bands with the small and the large gap, N 2/ N 1, correspondingly, was roughly of an order. We estimated "solo" BCS-ratio values in a hypothetic case of zero interband coupling ( V i ≠ j = 0) for each condensate as 2ΔL, S/ k B T {C/L,S} ≤ 4.5. The values are constant within the range of critical temperatures studied, and correspond to a case of strong intraband electron-phonon coupling.

Dynamic characterization of contact interactions of micro-robotic leg structures

NASA Astrophysics Data System (ADS)

Ryou, Jeong Hoon; Oldham, Kenn Richard

2014-05-01

Contact dynamics of microelectromechanical systems (MEMS) are typically complicated and it is consequently difficult to model all dynamic characteristics observed in time-domain responses involving impact. This issue becomes worse when a device, such as a mobile micro-robot, is not clamped to a substrate and has a complex mechanical structure. To characterize such a contact interaction situation, two walking micro-robot prototypes are tested having intentionally simple structures with different dimensions (21.2 mm × 16.3 mm × 0.75 mm and 32 mm × 25.4 mm × 4.1 mm) and weights (0.16 and 2.7 g). Contact interaction behaviors are characterized by analyzing experimental data under various excitation signals. A numerical approach was used to derive a novel contact model consisting of a coefficient of restitution matrix that uses modal vibration information. Experimental validation of the simulation model shows that it captures various dynamic features of the contact interaction when simulating leg behavior more accurately than previous contact models, such as single-point coefficient of restitution or compliant ground models. In addition, this paper shows that small-scale forces can be added to the simulation to improve model accuracy, resulting in average errors across driving conditions on the order of 2-6% for bounce frequency, maximum foot height, and average foot height, although there is substantial variation from case to case.

Effects of contact shape on the scaling of biological attachments

NASA Astrophysics Data System (ADS)

Spolenak, Ralph; Gorb, Stanislav; Gao, Huajian; Arzt, Eduard

2005-02-01

Adhesion of biological systems has recently received much research attention: the survival of organisms ranging from single cells and mussels to insects, spiders and geckos relies crucially on their mechanical interaction with their environments. For spiders, lizards and possible other 'dry' adhesive systems, explanations for adhesion are based on van der Waals interaction, and the adhesion of single-contact elements has been described by the classical Johnson-Kendall-Roberts (JKR) model derived for spherical contacts. However, real biological contacts display a variety of shapes and only rarely resemble a hemisphere. Here, we theoretically assess the influence of various contact shapes on the pull-off force for single contacts as well as their scaling potential in contact arrays. It is concluded that other shapes, such as a toroidal contact geometry, should lead to better attachment; such geometries are observed in our microscopic investigations of hair-tip shapes in beetles and flies.

Modelling of deformation of underground tunnel lining, interacting with water-saturated soil

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2016-11-01

Built finite element method of calculating the deformation of underground tunnel lining, interacting with dry and water-saturated soils. To simulate the interaction between the lining and soils environments, including physical and non-linear, a special "contact" finite element, which allows to consider all cases of interaction between the contacting surfaces. It solved a number of problems of deformation with the ground subway tunnel lining rings.

Simple Common Plane contact detection algorithm for FE/FD methods

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

Vorobiev, O

2006-07-19

Common-plane (CP) algorithm is widely used in Discrete Element Method (DEM) to model contact forces between interacting particles or blocks. A new simple contact detection algorithm is proposed to model contacts in FE/FD methods which is similar to the CP algorithm. The CP is defined as a plane separating interacting faces of FE/FD mesh instead of blocks or particles in the original CP method. The method does not require iterations. It is very robust and easy to implement both in 2D and 3D case.

Search for physics beyond the standard model in dilepton mass spectra in proton-proton collisions at TeV

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Bergauer, T.; Dragicevic, M.; Erö, J.; Fabjan, C.; Friedl, M.; Frühwirth, R.; Ghete, V. M.; Hartl, C.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kiesenhofer, W.; Knünz, V.; Krammer, M.; Krätschmer, I.; Liko, D.; Mikulec, I.; Rabady, D.; Rahbaran, B.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Taurok, A.; Treberer-Treberspurg, W.; Waltenberger, W.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Alderweireldt, S.; Bansal, M.; Bansal, S.; Cornelis, T.; De Wolf, E. A.; Janssen, X.; Knutsson, A.; Luyckx, S.; Ochesanu, S.; Rougny, R.; Van De Klundert, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Van Spilbeeck, A.; Blekman, F.; Blyweert, S.; D'Hondt, J.; Daci, N.; Heracleous, N.; Keaveney, J.; Lowette, S.; Maes, M.; Olbrechts, A.; Python, Q.; Strom, D.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Caillol, C.; Clerbaux, B.; De Lentdecker, G.; Dobur, D.; Favart, L.; Gay, A. P. R.; Grebenyuk, A.; Léonard, A.; Mohammadi, A.; Perniè, L.; Reis, T.; Seva, T.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wang, J.; Zenoni, F.; Adler, V.; Beernaert, K.; Benucci, L.; Cimmino, A.; Costantini, S.; Crucy, S.; Dildick, S.; Fagot, A.; Garcia, G.; Mccartin, J.; Ocampo Rios, A. A.; Ryckbosch, D.; Salva Diblen, S.; Sigamani, M.; Strobbe, N.; Thyssen, F.; Tytgat, M.; Yazgan, E.; Zaganidis, N.; Basegmez, S.; Beluffi, C.; Bruno, G.; Castello, R.; Caudron, A.; Ceard, L.; Da Silveira, G. G.; Delaere, C.; du Pree, T.; Favart, D.; Forthomme, L.; Giammanco, A.; Hollar, J.; Jafari, A.; Jez, P.; Komm, M.; Lemaitre, V.; Nuttens, C.; Pagano, D.; Perrini, L.; Pin, A.; Piotrzkowski, K.; Popov, A.; Quertenmont, L.; Selvaggi, M.; Vidal Marono, M.; Vizan Garcia, J. M.; Beliy, N.; Caebergs, T.; Daubie, E.; Hammad, G. H.; Aldá Júnior, W. L.; Alves, G. A.; Brito, L.; Correa Martins Junior, M.; Dos Reis Martins, T.; Mora Herrera, C.; Pol, M. E.; Carvalho, W.; Chinellato, J.; Custódio, A.; Da Costa, E. M.; De Jesus Damiao, D.; De Oliveira Martins, C.; Fonseca De Souza, S.; Malbouisson, H.; Matos Figueiredo, D.; Mundim, L.; Nogima, H.; Prado Da Silva, W. L.; Santaolalla, J.; Santoro, A.; Sznajder, A.; Tonelli Manganote, E. J.; Vilela Pereira, A.; Bernardes, C. A.; Dogra, S.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Mercadante, P. G.; Novaes, S. F.; Padula, Sandra S.; Aleksandrov, A.; Genchev, V.; Iaydjiev, P.; Marinov, A.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Vutova, M.; Dimitrov, A.; Glushkov, I.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Chen, M.; Du, R.; Jiang, C. H.; Plestina, R.; Romeo, F.; Tao, J.; Wang, Z.; Asawatangtrakuldee, C.; Ban, Y.; Li, Q.; Liu, S.; Mao, Y.; Qian, S. J.; Wang, D.; Zou, W.; Avila, C.; Chaparro Sierra, L. F.; Florez, C.; Gomez, J. P.; Gomez Moreno, B.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Polic, D.; Puljak, I.; Antunovic, Z.; Kovac, M.; Brigljevic, V.; Kadija, K.; Luetic, J.; Mekterovic, D.; Sudic, L.; Attikis, A.; Mavromanolakis, G.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Bodlak, M.; Finger, M.; Finger, M.; Assran, Y.; Elgammal, S.; Mahmoud, M. A.; Radi, A.; Kadastik, M.; Murumaa, M.; Raidal, M.; Tiko, A.; Eerola, P.; Fedi, G.; Voutilainen, M.; Härkönen, J.; Karimäki, V.; Kinnunen, R.; Kortelainen, M. J.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Peltola, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Wendland, L.; Talvitie, J.; Tuuva, T.; Besancon, M.; Couderc, F.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Favaro, C.; Ferri, F.; Ganjour, S.; Givernaud, A.; Gras, P.; Hamel de Monchenault, G.; Jarry, P.; Locci, E.; Malcles, J.; Rander, J.; Rosowsky, A.; Titov, M.; Baffioni, S.; Beaudette, F.; Busson, P.; Charlot, C.; Dahms, T.; Dalchenko, M.; Dobrzynski, L.; Filipovic, N.; Florent, A.; Granier de Cassagnac, R.; Mastrolorenzo, L.; Miné, P.; Mironov, C.; Naranjo, I. N.; Nguyen, M.; Ochando, C.; Paganini, P.; Regnard, S.; Salerno, R.; Sauvan, J. B.; Sirois, Y.; Veelken, C.; Yilmaz, Y.; Zabi, A.; Agram, J.-L.; Andrea, J.; Aubin, A.; Bloch, D.; Brom, J.-M.; Chabert, E. C.; Collard, C.; Conte, E.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Goetzmann, C.; Le Bihan, A.-C.; Van Hove, P.; Gadrat, S.; Beauceron, S.; Beaupere, N.; Boudoul, G.; Bouvier, E.; Brochet, S.; Carrillo Montoya, C. A.; Chasserat, J.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Fan, J.; Fay, J.; Gascon, S.; Gouzevitch, M.; Ille, B.; Kurca, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Ruiz Alvarez, J. D.; Sabes, D.; Sgandurra, L.; Sordini, V.; Vander Donckt, M.; Verdier, P.; Viret, S.; Xiao, H.; Tsamalaidze, Z.; Autermann, C.; Beranek, S.; Bontenackels, M.; Edelhoff, M.; Feld, L.; Hindrichs, O.; Klein, K.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Weber, H.; Wittmer, B.; Zhukov, V.; Ata, M.; Brodski, M.; Dietz-Laursonn, E.; Duchardt, D.; Erdmann, M.; Fischer, R.; Güth, A.; Hebbeker, T.; Heidemann, C.; Hoepfner, K.; Klingebiel, D.; Knutzen, S.; Kreuzer, P.; Merschmeyer, M.; Meyer, A.; Millet, P.; Olschewski, M.; Padeken, K.; Papacz, P.; Pook, T.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Teyssier, D.; Thüer, S.; Weber, M.; Cherepanov, V.; Erdogan, Y.; Flügge, G.; Geenen, H.; Geisler, M.; Haj Ahmad, W.; Heister, A.; Hoehle, F.; Kargoll, B.; Kress, T.; Kuessel, Y.; Künsken, A.; Lingemann, J.; Nowack, A.; Nugent, I. M.; Perchalla, L.; Pooth, O.; Stahl, A.; Asin, I.; Bartosik, N.; Behr, J.; Behrenhoff, W.; Behrens, U.; Bell, A. J.; Bergholz, M.; Bethani, A.; Borras, K.; Burgmeier, A.; Cakir, A.; Calligaris, L.; Campbell, A.; Choudhury, S.; Costanza, F.; Diez Pardos, C.; Dooling, S.; Dorland, T.; Eckerlin, G.; Eckstein, D.; Eichhorn, T.; Flucke, G.; Garay Garcia, J.; Geiser, A.; Gunnellini, P.; Hauk, J.; Hempel, M.; Horton, D.; Jung, H.; Kalogeropoulos, A.; Kasemann, M.; Katsas, P.; Kieseler, J.; Kleinwort, C.; Krücker, D.; Lange, W.; Leonard, J.; Lipka, K.; Lobanov, A.; Lohmann, W.; Lutz, B.; Mankel, R.; Marfin, I.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mittag, G.; Mnich, J.; Mussgiller, A.; Naumann-Emme, S.; Nayak, A.; Novgorodova, O.; Ntomari, E.; Perrey, H.; Pitzl, D.; Placakyte, R.; Raspereza, A.; Ribeiro Cipriano, P. M.; Roland, B.; Ron, E.; Sahin, M. Ö.; Salfeld-Nebgen, J.; Saxena, P.; Schmidt, R.; Schoerner-Sadenius, T.; Schröder, M.; Seitz, C.; Spannagel, S.; Vargas Trevino, A. D. R.; Walsh, R.; Wissing, C.; Aldaya Martin, M.; Blobel, V.; Centis Vignali, M.; Draeger, A. R.; Erfle, J.; Garutti, E.; Goebel, K.; Görner, M.; Haller, J.; Hoffmann, M.; Höing, R. S.; Kirschenmann, H.; Klanner, R.; Kogler, R.; Lange, J.; Lapsien, T.; Lenz, T.; Marchesini, I.; Ott, J.; Peiffer, T.; Pietsch, N.; Poehlsen, J.; Poehlsen, T.; Rathjens, D.; Sander, C.; Schettler, H.; Schleper, P.; Schlieckau, E.; Schmidt, A.; Seidel, M.; Sola, V.; Stadie, H.; Steinbrück, G.; Troendle, D.; Usai, E.; Vanelderen, L.; Vanhoefer, A.; Barth, C.; Baus, C.; Berger, J.; Böser, C.; Butz, E.; Chwalek, T.; De Boer, W.; Descroix, A.; Dierlamm, A.; Feindt, M.; Frensch, F.; Giffels, M.; Hartmann, F.; Hauth, T.; Husemann, U.; Katkov, I.; Kornmayer, A.; Kuznetsova, E.; Lobelle Pardo, P.; Mozer, M. U.; Müller, Th.; Nürnberg, A.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Röcker, S.; Simonis, H. J.; Stober, F. M.; Ulrich, R.; Wagner-Kuhr, J.; Wayand, S.; Weiler, T.; Wolf, R.; Anagnostou, G.; Daskalakis, G.; Geralis, T.; Giakoumopoulou, V. A.; Kyriakis, A.; Loukas, D.; Markou, A.; Markou, C.; Psallidas, A.; Topsis-Giotis, I.; Agapitos, A.; Kesisoglou, S.; Panagiotou, A.; Saoulidou, N.; Stiliaris, E.; Aslanoglou, X.; Evangelou, I.; Flouris, G.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Paradas, E.; Bencze, G.; Hajdu, C.; Hidas, P.; Horvath, D.; Sikler, F.; Veszpremi, V.; Vesztergombi, G.; Zsigmond, A. J.; Beni, N.; Czellar, S.; Karancsi, J.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Swain, S. K.; Beri, S. B.; Bhatnagar, V.; Gupta, R.; Bhawandeep, U.; Kalsi, A. K.; Kaur, M.; Kumar, R.; Mittal, M.; Nishu, N.; Singh, J. B.; Kumar, Ashok; Kumar, Arun; Ahuja, S.; Bhardwaj, A.; Choudhary, B. C.; Kumar, A.; Malhotra, S.; Naimuddin, M.; Ranjan, K.; Sharma, V.; Banerjee, S.; Bhattacharya, S.; Chatterjee, K.; Dutta, S.; Gomber, B.; Jain, Sa.; Jain, Sh.; Khurana, R.; Modak, A.; Mukherjee, S.; Roy, D.; Sarkar, S.; Sharan, M.; Abdulsalam, A.; Dutta, D.; Kailas, S.; Kumar, V.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Topkar, A.; Aziz, T.; Banerjee, S.; Bhowmik, S.; Chatterjee, R. M.; Dewanjee, R. K.; Dugad, S.; Ganguly, S.; Ghosh, S.; Guchait, M.; Gurtu, A.; Kole, G.; Kumar, S.; Maity, M.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Parida, B.; Sudhakar, K.; Wickramage, N.; Bakhshiansohi, H.; Behnamian, H.; Etesami, S. M.; Fahim, A.; Goldouzian, R.; Khakzad, M.; Mohammadi Najafabadi, M.; Naseri, M.; Paktinat Mehdiabadi, S.; Rezaei Hosseinabadi, F.; Safarzadeh, B.; Zeinali, M.; Felcini, M.; Grunewald, M.; Abbrescia, M.; Barbone, L.; Calabria, C.; Chhibra, S. S.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Fiore, L.; Iaselli, G.; Maggi, G.; Maggi, M.; My, S.; Nuzzo, S.; Pompili, A.; Pugliese, G.; Radogna, R.; Selvaggi, G.; Sharma, A.; Silvestris, L.; Venditti, R.; Zito, G.; Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Brigliadori, L.; Campanini, R.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Codispoti, G.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Grandi, C.; Guiducci, L.; Marcellini, S.; Masetti, G.; Montanari, A.; Navarria, F. L.; Perrotta, A.; Primavera, F.; Rossi, A. M.; Rovelli, T.; Siroli, G. P.; Tosi, N.; Travaglini, R.; Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Giordano, F.; Potenza, R.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Gallo, E.; Gonzi, S.; Gori, V.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Benussi, L.; Bianco, S.; Fabbri, F.; Piccolo, D.; Ferretti, R.; Ferro, F.; Lo Vetere, M.; Robutti, E.; Tosi, S.; Dinardo, M. E.; Fiorendi, S.; Gennai, S.; Gerosa, R.; Ghezzi, A.; Govoni, P.; Lucchini, M. T.; Malvezzi, S.; Manzoni, R. A.; Martelli, A.; Marzocchi, B.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Tabarelli de Fatis, T.; Buontempo, S.; Cavallo, N.; Di Guida, S.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Meola, S.; Merola, M.; Paolucci, P.; Azzi, P.; Bacchetta, N.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Dall'Osso, M.; Dorigo, T.; Dosselli, U.; Galanti, M.; Gasparini, F.; Gasparini, U.; Giubilato, P.; Gozzelino, A.; Kanishchev, K.; Lacaprara, S.; Margoni, M.; Meneguzzo, A. T.; Pazzini, J.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Zotto, P.; Zucchetta, A.; Zumerle, G.; Gabusi, M.; Ratti, S. P.; Re, V.; Riccardi, C.; Salvini, P.; Vitulo, P.; Biasini, M.; Bilei, G. M.; Ciangottini, D.; Fanò, L.; Lariccia, P.; Mantovani, G.; Menichelli, M.; Saha, A.; Santocchia, A.; Spiezia, A.; Androsov, K.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; Ciocci, M. A.; Dell'Orso, R.; Donato, S.; Fiori, F.; Foà, L.; Giassi, A.; Grippo, M. T.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Moon, C. S.; Palla, F.; Rizzi, A.; Savoy-Navarro, A.; Serban, A. T.; Spagnolo, P.; Squillacioti, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Vernieri, C.; Barone, L.; Cavallari, F.; D'imperio, G.; Del Re, D.; Diemoz, M.; Grassi, M.; Jorda, C.; Longo, E.; Margaroli, F.; Meridiani, P.; Micheli, F.; Nourbakhsh, S.; Organtini, G.; Paramatti, R.; Rahatlou, S.; Rovelli, C.; Santanastasio, F.; Soffi, L.; Traczyk, P.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Bellan, R.; Biino, C.; Cartiglia, N.; Casasso, S.; Costa, M.; Degano, A.; Demaria, N.; Finco, L.; Mariotti, C.; Maselli, S.; Migliore, E.; Monaco, V.; Musich, M.; Obertino, M. M.; Ortona, G.; Pacher, L.; Pastrone, N.; Pelliccioni, M.; Pinna Angioni, G. L.; Potenza, A.; Romero, A.; Ruspa, M.; Sacchi, R.; Solano, A.; Staiano, A.; Tamponi, U.; Belforte, S.; Candelise, V.; Casarsa, M.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; La Licata, C.; Marone, M.; Schizzi, A.; Umer, T.; Zanetti, A.; Chang, S.; Kropivnitskaya, A.; Nam, S. K.; Kim, D. H.; Kim, G. N.; Kim, M. S.; Kong, D. J.; Lee, S.; Oh, Y. D.; Park, H.; Sakharov, A.; Son, D. C.; Kim, T. J.; Kim, J. Y.; Song, S.; Choi, S.; Gyun, D.; Hong, B.; Jo, M.; Kim, H.; Kim, Y.; Lee, B.; Lee, K. S.; Park, S. K.; Roh, Y.; Yoo, H. D.; Choi, M.; Kim, J. H.; Park, I. C.; Ryu, G.; Ryu, M. S.; Choi, Y.; Choi, Y. K.; Goh, J.; Kim, D.; Kwon, E.; Lee, J.; Seo, H.; Yu, I.; Juodagalvis, A.; Komaragiri, J. R.; Ali, M. A. B. Md; Castilla-Valdez, H.; De La Cruz-Burelo, E.; Heredia-de La Cruz, I.; Hernandez-Almada, A.; Lopez-Fernandez, R.; Sanchez-Hernandez, A.; Carrillo Moreno, S.; Vazquez Valencia, F.; Pedraza, I.; Salazar Ibarguen, H. A.; Casimiro Linares, E.; Morelos Pineda, A.; Krofcheck, D.; Butler, P. H.; Reucroft, S.; Ahmad, A.; Ahmad, M.; Hassan, Q.; Hoorani, H. R.; Khalid, S.; Khan, W. A.; Khurshid, T.; Shah, M. A.; Shoaib, M.; Bialkowska, H.; Bluj, M.; Boimska, B.; Frueboes, T.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Zalewski, P.; Brona, G.; Bunkowski, K.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Misiura, M.; Olszewski, M.; Wolszczak, W.; Bargassa, P.; Beirão Da Cruz E Silva, C.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Lloret Iglesias, L.; Nguyen, F.; Rodrigues Antunes, J.; Seixas, J.; Varela, J.; Vischia, P.; Golutvin, I.; Gorbunov, I.; Kamenev, A.; Karjavin, V.; Konoplyanikov, V.; Kozlov, G.; Lanev, A.; Malakhov, A.; Matveev, V.; Moisenz, P.; Palichik, V.; Perelygin, V.; Savina, M.; Shmatov, S.; Shulha, S.; Skatchkov, N.; Smirnov, V.; Zarubin, A.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Vorobyev, An.; Andreev, Yu.; Dermenev, A.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Pashenkov, A.; Tlisov, D.; Toropin, A.; Epshteyn, V.; Gavrilov, V.; Lychkovskaya, N.; Popov, V.; Safronov, G.; Semenov, S.; Spiridonov, A.; Stolin, V.; Vlasov, E.; Zhokin, A.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Leonidov, A.; Mesyats, G.; Rusakov, S. V.; Vinogradov, A.; Belyaev, A.; Boos, E.; Bunichev, V.; Dubinin, M.; Dudko, L.; Gribushin, A.; Klyukhin, V.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Perfilov, M.; Savrin, V.; Snigirev, A.; Azhgirey, I.; Bayshev, I.; Bitioukov, S.; Kachanov, V.; Kalinin, A.; Konstantinov, D.; Krychkine, V.; Petrov, V.; Ryutin, R.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Ekmedzic, M.; Milosevic, J.; Rekovic, V.; Alcaraz Maestre, J.; Battilana, C.; Calvo, E.; Cerrada, M.; Chamizo Llatas, M.; Colino, N.; De La Cruz, B.; Delgado Peris, A.; Domínguez Vázquez, D.; Escalante Del Valle, A.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Navarro De Martino, E.; Pérez-Calero Yzquierdo, A.; Puerta Pelayo, J.; Quintario Olmeda, A.; Redondo, I.; Romero, L.; Soares, M. S.; Albajar, C.; de Trocóniz, J. F.; Missiroli, M.; Moran, D.; Brun, H.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Duarte Campderros, J.; Fernandez, M.; Gomez, G.; Graziano, A.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Rodríguez-Marrero, A. Y.; Ruiz-Jimeno, A.; Scodellaro, L.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Bachtis, M.; Baillon, P.; Ball, A. H.; Barney, D.; Benaglia, A.; Bendavid, J.; Benhabib, L.; Benitez, J. F.; Bernet, C.; Bloch, P.; Bocci, A.; Bonato, A.; Bondu, O.; Botta, C.; Breuker, H.; Camporesi, T.; Cerminara, G.; Colafranceschi, S.; D'Alfonso, M.; d'Enterria, D.; Dabrowski, A.; David, A.; De Guio, F.; De Roeck, A.; De Visscher, S.; Di Marco, E.; Dobson, M.; Dordevic, M.; Dorney, B.; Dupont-Sagorin, N.; Elliott-Peisert, A.; Eugster, J.; Franzoni, G.; Funk, W.; Gigi, D.; Gill, K.; Giordano, D.; Girone, M.; Glege, F.; Guida, R.; Gundacker, S.; Guthoff, M.; Hammer, J.; Hansen, M.; Harris, P.; Hegeman, J.; Innocente, V.; Janot, P.; Kousouris, K.; Krajczar, K.; Lecoq, P.; Lourenço, C.; Magini, N.; Malgeri, L.; Mannelli, M.; Marrouche, J.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moortgat, F.; Morovic, S.; Mulders, M.; Musella, P.; Orsini, L.; Pape, L.; Perez, E.; Perrozzi, L.; Petrilli, A.; Petrucciani, G.; Pfeiffer, A.; Pierini, M.; Pimiä, M.; Piparo, D.; Plagge, M.; Racz, A.; Rolandi, G.; Rovere, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Sharma, A.; Siegrist, P.; Silva, P.; Simon, M.; Sphicas, P.; Spiga, D.; Steggemann, J.; Stieger, B.; Stoye, M.; Takahashi, Y.; Treille, D.; Tsirou, A.; Veres, G. I.; Wardle, N.; Wöhri, H. K.; Wollny, H.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; Kotlinski, D.; Langenegger, U.; Renker, D.; Rohe, T.; Bachmair, F.; Bäni, L.; Bianchini, L.; Buchmann, M. A.; Casal, B.; Chanon, N.; Dissertori, G.; Dittmar, M.; Donegà, M.; Dünser, M.; Eller, P.; Grab, C.; Hits, D.; Hoss, J.; Lustermann, W.; Mangano, B.; Marini, A. C.; Martinez Ruiz del Arbol, P.; Masciovecchio, M.; Meister, D.; Mohr, N.; Nägeli, C.; Nessi-Tedaldi, F.; Pandolfi, F.; Pauss, F.; Peruzzi, M.; Quittnat, M.; Rebane, L.; Rossini, M.; Starodumov, A.; Takahashi, M.; Theofilatos, K.; Wallny, R.; Weber, H. A.; Amsler, C.; Canelli, M. F.; Chiochia, V.; De Cosa, A.; Hinzmann, A.; Hreus, T.; Kilminster, B.; Lange, C.; Millan Mejias, B.; Ngadiuba, J.; Robmann, P.; Ronga, F. J.; Taroni, S.; Verzetti, M.; Yang, Y.; Cardaci, M.; Chen, K. H.; Ferro, C.; Kuo, C. M.; Lin, W.; Lu, Y. J.; Volpe, R.; Yu, S. S.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Chen, P. H.; Dietz, C.; Grundler, U.; Hou, W.-S.; Kao, K. Y.; Lei, Y. J.; Liu, Y. F.; Lu, R.-S.; Majumder, D.; Petrakou, E.; Tzeng, Y. M.; Wilken, R.; Asavapibhop, B.; Singh, G.; Srimanobhas, N.; Suwonjandee, N.; Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gokbulut, G.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Kayis Topaksu, A.; Onengut, G.; Ozdemir, K.; Ozturk, S.; Polatoz, A.; Sunar Cerci, D.; Tali, B.; Topakli, H.; Vergili, M.; Akin, I. V.; Bilin, B.; Bilmis, S.; Gamsizkan, H.; Karapinar, G.; Ocalan, K.; Sekmen, S.; Surat, U. E.; Yalvac, M.; Zeyrek, M.; Gülmez, E.; Isildak, B.; Kaya, M.; Kaya, O.; Cankocak, K.; Vardarlı, F. I.; Levchuk, L.; Sorokin, P.; Brooke, J. J.; Clement, E.; Cussans, D.; Flacher, H.; Goldstein, J.; Grimes, M.; Heath, G. P.; Heath, H. F.; Jacob, J.; Kreczko, L.; Lucas, C.; Meng, Z.; Newbold, D. M.; Paramesvaran, S.; Poll, A.; Senkin, S.; Smith, V. J.; Williams, T.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Olaiya, E.; Petyt, D.; Shepherd-Themistocleous, C. H.; Thea, A.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.; Baber, M.; Bainbridge, R.; Buchmuller, O.; Burton, D.; Colling, D.; Cripps, N.; Cutajar, M.; Dauncey, P.; Davies, G.; Della Negra, M.; Dunne, P.; Ferguson, W.; Fulcher, J.; Futyan, D.; Gilbert, A.; Hall, G.; Iles, G.; Jarvis, M.; Karapostoli, G.; Kenzie, M.; Lane, R.; Lucas, R.; Lyons, L.; Magnan, A.-M.; Malik, S.; Mathias, B.; Nash, J.; Nikitenko, A.; Pela, J.; Pesaresi, M.; Petridis, K.; Raymond, D. M.; Rogerson, S.; Rose, A.; Seez, C.; Sharp, P.; Tapper, A.; Vazquez Acosta, M.; Virdee, T.; Zenz, S. C.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leggat, D.; Leslie, D.; Martin, W.; Reid, I. D.; Symonds, P.; Teodorescu, L.; Turner, M.; Dittmann, J.; Hatakeyama, K.; Kasmi, A.; Liu, H.; Scarborough, T.; Charaf, O.; Cooper, S. I.; Henderson, C.; Rumerio, P.; Avetisyan, A.; Bose, T.; Fantasia, C.; Lawson, P.; Richardson, C.; Rohlf, J.; John, J. St.; Sulak, L.; Alimena, J.; Berry, E.; Bhattacharya, S.; Christopher, G.; Cutts, D.; Demiragli, Z.; Dhingra, N.; Ferapontov, A.; Garabedian, A.; Heintz, U.; Kukartsev, G.; Laird, E.; Landsberg, G.; Luk, M.; Narain, M.; Segala, M.; Sinthuprasith, T.; Speer, T.; Swanson, J.; Breedon, R.; Breto, G.; Calderon De La Barca Sanchez, M.; Chauhan, S.; Chertok, M.; Conway, J.; Conway, R.; Cox, P. T.; Erbacher, R.; Gardner, M.; Ko, W.; Lander, R.; Miceli, T.; Mulhearn, M.; Pellett, D.; Pilot, J.; Ricci-Tam, F.; Searle, M.; Shalhout, S.; Smith, J.; Squires, M.; Stolp, D.; Tripathi, M.; Wilbur, S.; Yohay, R.; Cousins, R.; Everaerts, P.; Farrell, C.; Hauser, J.; Ignatenko, M.; Rakness, G.; Takasugi, E.; Valuev, V.; Weber, M.; Burt, K.; Clare, R.; Ellison, J.; Gary, J. W.; Hanson, G.; Heilman, J.; Ivova Rikova, M.; Jandir, P.; Kennedy, E.; Lacroix, F.; Long, O. R.; Luthra, A.; Malberti, M.; Nguyen, H.; Olmedo Negrete, M.; Shrinivas, A.; Sumowidagdo, S.; Wimpenny, S.; Andrews, W.; Branson, J. G.; Cerati, G. B.; Cittolin, S.; D'Agnolo, R. T.; Evans, D.; Holzner, A.; Kelley, R.; Klein, D.; Lebourgeois, M.; Letts, J.; Macneill, I.; Olivito, D.; Padhi, S.; Palmer, C.; Pieri, M.; Sani, M.; Sharma, V.; Simon, S.; Sudano, E.; Tadel, M.; Tu, Y.; Vartak, A.; Welke, C.; Würthwein, F.; Yagil, A.; Barge, D.; Bradmiller-Feld, J.; Campagnari, C.; Danielson, T.; Dishaw, A.; Dutta, V.; Flowers, K.; Franco Sevilla, M.; Geffert, P.; George, C.; Golf, F.; Gouskos, L.; Incandela, J.; Justus, C.; Mccoll, N.; Richman, J.; Stuart, D.; To, W.; West, C.; Yoo, J.; Apresyan, A.; Bornheim, A.; Bunn, J.; Chen, Y.; Duarte, J.; Mott, A.; Newman, H. B.; Pena, C.; Rogan, C.; Spiropulu, M.; Timciuc, V.; Vlimant, J. R.; Wilkinson, R.; Xie, S.; Zhu, R. Y.; Azzolini, V.; Calamba, A.; Carlson, B.; Ferguson, T.; Iiyama, Y.; Paulini, M.; Russ, J.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Ford, W. T.; Gaz, A.; Luiggi Lopez, E.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.; Alexander, J.; Chatterjee, A.; Chu, J.; Dittmer, S.; Eggert, N.; Mirman, N.; Nicolas Kaufman, G.; Patterson, J. R.; Ryd, A.; Salvati, E.; Skinnari, L.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Tucker, J.; Weng, Y.; Winstrom, L.; Wittich, P.; Winn, D.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bolla, G.; Burkett, K.; Butler, J. N.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Gray, L.; Green, D.; Grünendahl, S.; Gutsche, O.; Hanlon, J.; Hare, D.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; Jindariani, S.; Johnson, M.; Joshi, U.; Kaadze, K.; Klima, B.; Kreis, B.; Kwan, S.; Linacre, J.; Lincoln, D.; Lipton, R.; Liu, T.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Martinez Outschoorn, V. I.; Maruyama, S.; Mason, D.; McBride, P.; Merkel, P.; Mishra, K.; Mrenna, S.; Musienko, Y.; Nahn, S.; Newman-Holmes, C.; O'Dell, V.; Prokofyev, O.; Sexton-Kennedy, E.; Sharma, S.; Soha, A.; Spalding, W. J.; Spiegel, L.; Taylor, L.; Tkaczyk, S.; Tran, N. V.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitbeck, A.; Whitmore, J.; Yang, F.; Acosta, D.; Avery, P.; Bortignon, P.; Bourilkov, D.; Carver, M.; Cheng, T.; Curry, D.; Das, S.; De Gruttola, M.; Di Giovanni, G. P.; Field, R. D.; Fisher, M.; Furic, I. K.; Hugon, J.; Konigsberg, J.; Korytov, A.; Kypreos, T.; Low, J. F.; Matchev, K.; Milenovic, P.; Mitselmakher, G.; Muniz, L.; Rinkevicius, A.; Shchutska, L.; Snowball, M.; Sperka, D.; Yelton, J.; Zakaria, M.; Hewamanage, S.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Adams, T.; Askew, A.; Bochenek, J.; Diamond, B.; Haas, J.; Hagopian, S.; Hagopian, V.; Johnson, K. F.; Prosper, H.; Veeraraghavan, V.; Weinberg, M.; Baarmand, M. M.; Hohlmann, M.; Kalakhety, H.; Yumiceva, F.; Adams, M. R.; Apanasevich, L.; Bazterra, V. E.; Berry, D.; Betts, R. R.; Bucinskaite, I.; Cavanaugh, R.; Evdokimov, O.; Gauthier, L.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Kurt, P.; Moon, D. H.; O'Brien, C.; Silkworth, C.; Turner, P.; Varelas, N.; Albayrak, E. A.; Bilki, B.; Clarida, W.; Dilsiz, K.; Duru, F.; Haytmyradov, M.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Ogul, H.; Onel, Y.; Ozok, F.; Penzo, A.; Rahmat, R.; Sen, S.; Tan, P.; Tiras, E.; Wetzel, J.; Yetkin, T.; Yi, K.; Barnett, B. A.; Blumenfeld, B.; Bolognesi, S.; Fehling, D.; Gritsan, A. V.; Maksimovic, P.; Martin, C.; Swartz, M.; Baringer, P.; Bean, A.; Benelli, G.; Bruner, C.; Kenny, R. P.; Malek, M.; Murray, M.; Noonan, D.; Sanders, S.; Sekaric, J.; Stringer, R.; Wang, Q.; Wood, J. S.; Chakaberia, I.; Ivanov, A.; Khalil, S.; Makouski, M.; Maravin, Y.; Saini, L. K.; Shrestha, S.; Skhirtladze, N.; Svintradze, I.; Gronberg, J.; Lange, D.; Rebassoo, F.; Wright, D.; Baden, A.; Belloni, A.; Calvert, B.; Eno, S. C.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kolberg, T.; Lu, Y.; Marionneau, M.; Mignerey, A. C.; Pedro, K.; Skuja, A.; Tonjes, M. B.; Tonwar, S. C.; Apyan, A.; Barbieri, R.; Bauer, G.; Busza, W.; Cali, I. A.; Chan, M.; Di Matteo, L.; Gomez Ceballos, G.; Goncharov, M.; Gulhan, D.; Klute, M.; Lai, Y. S.; Lee, Y.-J.; Levin, A.; Luckey, P. D.; Ma, T.; Paus, C.; Ralph, D.; Roland, C.; Roland, G.; Stephans, G. S. F.; Stöckli, F.; Sumorok, K.; Velicanu, D.; Veverka, J.; Wyslouch, B.; Yang, M.; Zanetti, M.; Zhukova, V.; Dahmes, B.; Gude, A.; Kao, S. C.; Klapoetke, K.; Kubota, Y.; Mans, J.; Pastika, N.; Rusack, R.; Singovsky, A.; Tambe, N.; Turkewitz, J.; Acosta, J. G.; Oliveros, S.; Avdeeva, E.; Bloom, K.; Bose, S.; Claes, D. R.; Dominguez, A.; Gonzalez Suarez, R.; Keller, J.; Knowlton, D.; Kravchenko, I.; Lazo-Flores, J.; Malik, S.; Meier, F.; Snow, G. R.; Zvada, M.; Dolen, J.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Kumar, A.; Rappoccio, S.; Alverson, G.; Barberis, E.; Baumgartel, D.; Chasco, M.; Haley, J.; Massironi, A.; Morse, D. M.; Nash, D.; Orimoto, T.; Trocino, D.; Wang, R.-J.; Wood, D.; Zhang, J.; Hahn, K. A.; Kubik, A.; Mucia, N.; Odell, N.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Sung, K.; Velasco, M.; Won, S.; Brinkerhoff, A.; Chan, K. M.; Drozdetskiy, A.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kellams, N.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Pearson, T.; Planer, M.; Ruchti, R.; Valls, N.; Wayne, M.; Wolf, M.; Woodard, A.; Antonelli, L.; Brinson, J.; Bylsma, B.; Durkin, L. S.; Flowers, S.; Hart, A.; Hill, C.; Hughes, R.; Kotov, K.; Ling, T. Y.; Puigh, D.; Rodenburg, M.; Smith, G.; Winer, B. L.; Wolfe, H.; Wulsin, H. W.; Driga, O.; Elmer, P.; Hebda, P.; Hunt, A.; Koay, S. A.; Lujan, P.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Brownson, E.; Mendez, H.; Ramirez Vargas, J. E.; Barnes, V. E.; Benedetti, D.; Bortoletto, D.; De Mattia, M.; Gutay, L.; Hu, Z.; Jha, M. K.; Jones, M.; Jung, K.; Kress, M.; Leonardo, N.; Lopes Pegna, D.; Maroussov, V.; Miller, D. H.; Neumeister, N.; Radburn-Smith, B. C.; Shi, X.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Wang, F.; Xie, W.; Xu, L.; Zablocki, J.; Zheng, Y.; Parashar, N.; Stupak, J.; Adair, A.; Akgun, B.; Ecklund, K. M.; Geurts, F. J. M.; Li, W.; Michlin, B.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; Covarelli, R.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Ferbel, T.; Garcia-Bellido, A.; Goldenzweig, P.; Han, J.; Harel, A.; Khukhunaishvili, A.; Petrillo, G.; Vishnevskiy, D.; Ciesielski, R.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.; Arora, S.; Barker, A.; Chou, J. P.; Contreras-Campana, C.; Contreras-Campana, E.; Duggan, D.; Ferencek, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Kaplan, S.; Lath, A.; Panwalkar, S.; Park, M.; Patel, R.; Salur, S.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.; Thomassen, P.; Walker, M.; Rose, K.; Spanier, S.; York, A.; Bouhali, O.; Castaneda Hernandez, A.; Eusebi, R.; Flanagan, W.; Gilmore, J.; Kamon, T.; Khotilovich, V.; Krutelyov, V.; Montalvo, R.; Osipenkov, I.; Pakhotin, Y.; Perloff, A.; Roe, J.; Rose, A.; Safonov, A.; Sakuma, T.; Suarez, I.; Tatarinov, A.; Akchurin, N.; Cowden, C.; Damgov, J.; Dragoiu, C.; Dudero, P. R.; Faulkner, J.; Kovitanggoon, K.; Kunori, S.; Lee, S. W.; Libeiro, T.; Volobouev, I.; Appelt, E.; Delannoy, A. G.; Greene, S.; Gurrola, A.; Johns, W.; Maguire, C.; Mao, Y.; Melo, A.; Sharma, M.; Sheldon, P.; Snook, B.; Tuo, S.; Velkovska, J.; Arenton, M. W.; Boutle, S.; Cox, B.; Francis, B.; Goodell, J.; Hirosky, R.; Ledovskoy, A.; Li, H.; Lin, C.; Neu, C.; Wood, J.; Clarke, C.; Harr, R.; Karchin, P. E.; Kottachchi Kankanamge Don, C.; Lamichhane, P.; Sturdy, J.; Belknap, D. A.; Carlsmith, D.; Cepeda, M.; Dasu, S.; Dodd, L.; Duric, S.; Friis, E.; Hall-Wilton, R.; Herndon, M.; Hervé, A.; Klabbers, P.; Lanaro, A.; Lazaridis, C.; Levine, A.; Loveless, R.; Mohapatra, A.; Ojalvo, I.; Perry, T.; Pierro, G. A.; Polese, G.; Ross, I.; Sarangi, T.; Savin, A.; Smith, W. H.; Taylor, D.; Verwilligen, P.; Vuosalo, C.; Woods, N.

2015-04-01

Dimuon and dielectron mass spectra, obtained from data resulting from proton-proton collisions at 8 TeV and recorded by the CMS experiment, are used to search for both narrow resonances and broad deviations from standard model predictions. The data correspond to an integrated luminosity of 20.6 (19.7) fb-1 for the dimuon (dielectron) channel. No evidence for non-standard-model physics is observed and 95% confidence level limits are set on parameters from a number of new physics models. The narrow resonance analyses exclude a Sequential Standard Model Z{SSM/'} resonance lighter than 2.90 TeV, a superstring-inspired Z{/ψ '} lighter than 2.57 TeV, and Randall-Sundrum Kaluza-Klein gravitons with masses below 2.73, 2.35, and 1.27 TeV for couplings of 0.10, 0.05, and 0.01, respectively. A notable feature is that the limits have been calculated in a model-independent way to enable straightforward reinterpretation in any model predicting a resonance structure. The observed events are also interpreted within the framework of two non-resonant analyses: one based on a large extra dimensions model and one based on a quark and lepton compositeness model with a left-left isoscalar contact interaction. Lower limits are established on MS, the scale characterizing the onset of quantum gravity, which range from 4.9 to 3.3 TeV, where the number of additional spatial dimensions varies from 3 to 7. Similarly, lower limits on Λ, the energy scale parameter for the contact interaction, are found to be 12.0 (15.2) TeV for destructive (constructive) interference in the dimuon channel and 13.5 (18.3) TeV in the dielectron channel. [Figure not available: see fulltext.

Search for physics beyond the standard model in dilepton mass spectra in proton-proton collisions at √s = 8 TeV

DOE PAGES

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; ...

2015-04-07

Dimuon and dielectron mass spectra, obtained from data resulting from proton-proton collisions at 8 TeV and recorded by the CMS experiment, are used to search for both narrow resonances and broad deviations from standard model predictions. The data correspond to an integrated luminosity of 20.6 (19.7) fb –1 for the dimuon (dielectron) channel. No evidence for non-standard-model physics is observed and 95% confidence level limits are set on parameters from a number of new physics models. The narrow resonance analyses exclude a Sequential Standard Model Z SSM ' resonance lighter than 2.90 TeV, a superstring-inspired Z ψ ' lighter thanmore » 2.57 TeV, and Randall-Sundrum Kaluza-Klein gravitons with masses below 2.73, 2.35, and 1.27 TeV for couplings of 0.10, 0.05, and 0.01, respectively. A notable feature is that the limits have been calculated in a model-independent way to enable straightforward reinterpretation in any model predicting a resonance structure. The observed events are also interpreted within the framework of two non-resonant analyses: one based on a large extra dimensions model and one based on a quark and lepton compositeness model with a left-left isoscalar contact interaction. Lower limits are established on MS, the scale characterizing the onset of quantum gravity, which range from 4.9 to 3.3 TeV, where the number of additional spatial dimensions varies from 3 to 7. Thus lower limits on Λ, the energy scale parameter for the contact interaction, are found to be 12.0 (15.2) TeV for destructive (constructive) interference in the dimuon channel and 13.5 (18.3) TeV in the dielectron channel.« less

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

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.

Dimuon and dielectron mass spectra, obtained from data resulting from proton-proton collisions at 8 TeV and recorded by the CMS experiment, are used to search for both narrow resonances and broad deviations from standard model predictions. The data correspond to an integrated luminosity of 20.6 (19.7) fb –1 for the dimuon (dielectron) channel. No evidence for non-standard-model physics is observed and 95% confidence level limits are set on parameters from a number of new physics models. The narrow resonance analyses exclude a Sequential Standard Model Z SSM ' resonance lighter than 2.90 TeV, a superstring-inspired Z ψ ' lighter thanmore » 2.57 TeV, and Randall-Sundrum Kaluza-Klein gravitons with masses below 2.73, 2.35, and 1.27 TeV for couplings of 0.10, 0.05, and 0.01, respectively. A notable feature is that the limits have been calculated in a model-independent way to enable straightforward reinterpretation in any model predicting a resonance structure. The observed events are also interpreted within the framework of two non-resonant analyses: one based on a large extra dimensions model and one based on a quark and lepton compositeness model with a left-left isoscalar contact interaction. Lower limits are established on MS, the scale characterizing the onset of quantum gravity, which range from 4.9 to 3.3 TeV, where the number of additional spatial dimensions varies from 3 to 7. Thus lower limits on Λ, the energy scale parameter for the contact interaction, are found to be 12.0 (15.2) TeV for destructive (constructive) interference in the dimuon channel and 13.5 (18.3) TeV in the dielectron channel.« less

Quantum Monte Carlo calculations of two neutrons in finite volume

DOE PAGES

Klos, P.; Lynn, J. E.; Tews, I.; ...

2016-11-18

Ab initio calculations provide direct access to the properties of pure neutron systems that are challenging to study experimentally. In addition to their importance for fundamental physics, their properties are required as input for effective field theories of the strong interaction. In this work, we perform auxiliary-field diffusion Monte Carlo calculations of the ground state and first excited state of two neutrons in a finite box, considering a simple contact potential as well as chiral effective field theory interactions. We compare the results against exact diagonalizations and present a detailed analysis of the finite-volume effects, whose understanding is crucial formore » determining observables from the calculated energies. Finally, using the Lüscher formula, we extract the low-energy S-wave scattering parameters from ground- and excited-state energies for different box sizes.« less

Importance of tread inertia and damping on the tyre/road contact stiffness

NASA Astrophysics Data System (ADS)

Winroth, J.; Andersson, P. B. U.; Kropp, W.

2014-10-01

Predicting tyre/road interaction processes like roughness excitation, stick-slip, stick-snap, wear and traction requires detailed information about the road surface, the tyre dynamics and the local deformation of the tread at the interface. Aspects of inertia and damping when the tread is locally deformed are often neglected in many existing tyre/road interaction models. The objective of this paper is to study how the dynamic features of the tread affect contact forces and contact stiffness during local deformation. This is done by simulating the detailed contact between an elastic layer and a rough road surface using a previously developed numerical time domain contact model. Road roughness on length scales smaller than the discretisation scale is included by the addition of nonlinear contact springs between each pair of contact elements. The dynamic case, with an elastic layer impulse response extending in time, is compared with the case where the corresponding quasi-static response is used. Results highlight the difficulty of estimating a constant contact stiffness as it increases during the indentation process between the elastic layer and the rough road surface. The stiffness-indentation relation additionally depends on how rapidly the contact develops; a faster process gives a stiffer contact. Material properties like loss factor and density also alter the contact development. This work implies that dynamic properties of the local tread deformation may be of importance when simulating contact details during normal tyre/road interaction conditions. There are however indications that the significant effect of damping could approximately be included as an increased stiffness in a quasi-static tread model.

Study of intermolecular contacts in proteins and oligomer interfaces and preliminary investigations into the design and production of nanomaterials from proteins

NASA Astrophysics Data System (ADS)

Iyer, Ganesh Hariharan

The first part of this research involved a study of the nature and extent of nonbonded interactions at crystal and oligomer interfaces. A survey was compiled of several characteristics of intersubunit contacts in 58 different oligomeric proteins, and of the intermolecular contacts in 223 protein crystal structures. Routines written in "S" language were utilized for the generation of the observed and expected contacts. The information in the Protein Data Bank (PDB) was extracted using the database management system, Protein Knowledge Base (PKB). Potentials of mean force for atom-atom contacts and residue-residue contacts were derived by comparison of the number of observed interactions with the number expected by mass action. Preference association matrices and log-linear analyses were applied to determine the different factors that could contribute to the overall interactions at the interfaces of oligomers and crystals. Surface patches at oligomer and crystal interfaces were also studied to further investigate the origin of the differences in their stabilities. Total number of atoms in contact and the secondary structure elements involved are similar in the two types of interfaces. Crystal contacts result from more numerous interactions by polar residues, compared with a tendency toward nonpolar amino acid prominent in oligomer interfaces. Contact potentials indicate that hydrophobic interactions at oligomer interfaces favor aromatic amino acids and methionine over aliphatic amino acids; and that crystal contacts form in such a way as to avoid inclusion of hydrophobic interactions. The second part involved the development of a new class of biomaterials from two-dimensional arrays of ordered proteins. Point mutations were planned to introduce cysteine residues at appropriate locations to enable cross-linking at the molecular interface within given crystallographic planes. Crystallization and subsequent cross-linking of the modified protein would lead to the formation of arrays on subsequent dissociation of the crystal. Novel protein architectures can be generated from these cross-linked nanostructures. Experiments with model protein, maltose-binding protein (MBP) were performed to develop purification, cross-linking and crystallization techniques. The long-term goal of this project is to apply the experience gained with MBP to the fabrication of nanomaterials from other, application-specific proteins for ultrafiltration and microelectronic devices.

Direct Measurement of the Surface Energy of Graphene.

PubMed

van Engers, Christian D; Cousens, Nico E A; Babenko, Vitaliy; Britton, Jude; Zappone, Bruno; Grobert, Nicole; Perkin, Susan

2017-06-14

Graphene produced by chemical vapor deposition (CVD) is a promising candidate for implementing graphene in a range of technologies. In most device configurations, one side of the graphene is supported by a solid substrate, wheras the other side is in contact with a medium of interest, such as a liquid or other two-dimensional material within a van der Waals stack. In such devices, graphene interacts on both faces via noncovalent interactions and therefore surface energies are key parameters for device fabrication and operation. In this work, we directly measured adhesive forces and surface energies of CVD-grown graphene in dry nitrogen, water, and sodium cholate using a modified surface force balance. For this, we fabricated large (∼1 cm 2 ) and clean graphene-coated surfaces with smooth topography at both macro- and nanoscales. By bringing two such surfaces into contact and measuring the force required to separate them, we measured the surface energy of single-layer graphene in dry nitrogen to be 115 ± 4 mJ/m 2 , which was similar to that of few-layer graphene (119 ± 3 mJ/m 2 ). In water and sodium cholate, we measured interfacial energies of 83 ± 7 and 29 ± 6 mJ/m 2 , respectively. Our work provides the first direct measurement of graphene surface energy and is expected to have an impact both on the development of graphene-based devices and contribute to the fundamental understanding of surface interactions.

Cleanability evaluation of ceramic glazes with nanometer far-infrared materials using contact angle measurement.

PubMed

Wang, Lijuan; Liang, Jinsheng; Di, Xingfu; Tang, Qingguo

2014-05-01

The cleanability of easy-to-clean ceramic glazes doped with nanometer far-infrared materials was compared with that of some high-quality household ceramic glazes from the market. The cleanability was evaluated by the contact angle measurement using a sessile drop method with a Dataphysics OCA-30 contact angle analyzer. The results showed that the difference of contact angles of water on the glazes before soiling and after cleaning could be used as a parameter for evaluating the cleanability of the glazes. The relationship between cleanability and surface properties, such as surface free energy and surface topography, was investigated. The surface free energy of the samples and their components were calculated using van Oss acid-base approach. By measuring advancing and receding contact angles, the contact angle hysteresis of the ceramic glazes due to the surface topography was investigated. It was shown that the cleanability of ceramic glazes containing nanometer far-infrared materials (NFIM) is better than that of household ceramic glazes from market, due to a higher ratio of electron-acceptor parameter to electron-donor parameter, which led to the effect of water hydration as well as better hydrophilic property and increased smoothness. The contact angle measurement not only accurately evaluates the cleanability of the ceramic glazes, but also has a contribution to the study of cleanability theory. Moreover, this method is simple, convenient and less sample-consumption.

Can a pairwise contact potential stabilize native protein folds against decoys obtained by threading?

PubMed

Vendruscolo, M; Najmanovich, R; Domany, E

2000-02-01

We present a method to derive contact energy parameters from large sets of proteins. The basic requirement on which our method is based is that for each protein in the database the native contact map has lower energy than all its decoy conformations that are obtained by threading. Only when this condition is satisfied one can use the proposed energy function for fold identification. Such a set of parameters can be found (by perceptron learning) if Mp, the number of proteins in the database, is not too large. Other aspects that influence the existence of such a solution are the exact definition of contact and the value of the critical distance Rc, below which two residues are considered to be in contact. Another important novel feature of our approach is its ability to determine whether an energy function of some suitable proposed form can or cannot be parameterized in a way that satisfies our basic requirement. As a demonstration of this, we determine the region in the (Rc, Mp) plane in which the problem is solvable, i.e., we can find a set of contact parameters that stabilize simultaneously all the native conformations. We show that for large enough databases the contact approximation to the energy cannot stabilize all the native folds even against the decoys obtained by gapless threading.

Static and sliding contact of rough surfaces: Effect of asperity-scale properties and long-range elastic interactions

NASA Astrophysics Data System (ADS)

Hulikal, Srivatsan; Lapusta, Nadia; Bhattacharya, Kaushik

2018-07-01

Friction in static and sliding contact of rough surfaces is important in numerous physical phenomena. We seek to understand macroscopically observed static and sliding contact behavior as the collective response of a large number of microscopic asperities. To that end, we build on Hulikal et al. (2015) and develop an efficient numerical framework that can be used to investigate how the macroscopic response of multiple frictional contacts depends on long-range elastic interactions, different constitutive assumptions about the deforming contacts and their local shear resistance, and surface roughness. We approximate the contact between two rough surfaces as that between a regular array of discrete deformable elements attached to a elastic block and a rigid rough surface. The deformable elements are viscoelastic or elasto/viscoplastic with a range of relaxation times, and the elastic interaction between contacts is long-range. We find that the model reproduces the main macroscopic features of evolution of contact and friction for a range of constitutive models of the elements, suggesting that macroscopic frictional response is robust with respect to the microscopic behavior. Viscoelasticity/viscoplasticity contributes to the increase of friction with contact time and leads to a subtle history dependence. Interestingly, long-range elastic interactions only change the results quantitatively compared to the meanfield response. The developed numerical framework can be used to study how specific observed macroscopic behavior depends on the microscale assumptions. For example, we find that sustained increase in the static friction coefficient during long hold times suggests viscoelastic response of the underlying material with multiple relaxation time scales. We also find that the experimentally observed proportionality of the direct effect in velocity jump experiments to the logarithm of the velocity jump points to a complex material-dependent shear resistance at the microscale.

Directional Collective Cell Migration Emerges as a Property of Cell Interactions

PubMed Central

Woods, Mae L.; Carmona-Fontaine, Carlos; Barnes, Chris P.; Couzin, Iain D.; Mayor, Roberto; Page, Karen M.

2014-01-01

Collective cell migration is a fundamental process, occurring during embryogenesis and cancer metastasis. Neural crest cells exhibit such coordinated migration, where aberrant motion can lead to fatality or dysfunction of the embryo. Migration involves at least two complementary mechanisms: contact inhibition of locomotion (a repulsive interaction corresponding to a directional change of migration upon contact with a reciprocating cell), and co-attraction (a mutual chemoattraction mechanism). Here, we develop and employ a parameterized discrete element model of neural crest cells, to investigate how these mechanisms contribute to long-range directional migration during development. Motion is characterized using a coherence parameter and the time taken to reach, collectively, a target location. The simulated cell group is shown to switch from a diffusive to a persistent state as the response-rate to co-attraction is increased. Furthermore, the model predicts that when co-attraction is inhibited, neural crest cells can migrate into restrictive regions. Indeed, inhibition of co-attraction in vivo and in vitro leads to cell invasion into restrictive areas, confirming the prediction of the model. This suggests that the interplay between the complementary mechanisms may contribute to guidance of the neural crest. We conclude that directional migration is a system property and does not require action of external chemoattractants. PMID:25181349

Synaptic multistability and network synchronization induced by the neuron-glial interaction in the brain

NASA Astrophysics Data System (ADS)

Lazarevich, I. A.; Stasenko, S. V.; Kazantsev, V. B.

2017-02-01

The dynamics of a synaptic contact between neurons that forms a feedback loop through the interaction with glial cells of the brain surrounding the neurons is studied. It is shown that, depending on the character of the neuron-glial interaction, the dynamics of the signal transmission frequency in the synaptic contact can be bistable with two stable steady states or spiking with the regular generation of spikes with various amplitudes and durations. It is found that such a synaptic contact at the network level is responsible for the appearance of quasisynchronous network bursts.

Network centrality and seasonality interact to predict lice load in a social primate

PubMed Central

Duboscq, Julie; Romano, Valeria; Sueur, Cédric; MacIntosh, Andrew J.J.

2016-01-01

Lice are socially-transmitted ectoparasites. Transmission depends upon their host’s degree of contact with conspecifics. While grooming facilitates ectoparasite transmission via body contact, it also constrains their spread through parasite removal. We investigated relations between parasite burden and sociality in female Japanese macaques following two opposing predictions: i) central females in contact/grooming networks harbour more lice, related to their numerous contacts; ii) central females harbour fewer lice, related to receiving more grooming. We estimated lice load non-invasively using the conspicuous louse egg-picking behaviour performed by macaques during grooming. We tested for covariation in several centrality measures and lice load, controlling for season, female reproductive state and dominance rank. Results show that the interaction between degree centrality (number of partners) and seasonality predicted lice load: females interacting with more partners had fewer lice than those interacting with fewer partners in winter and summer, whereas there was no relationship between lice load and centrality in spring and fall. This is counter to the prediction that increased contact leads to greater louse burden but fits the prediction that social grooming limits louse burden. Interactions between environmental seasonality and both parasite and host biology appeared to mediate the role of social processes in louse burden. PMID:26915589

Network centrality and seasonality interact to predict lice load in a social primate.

PubMed

Duboscq, Julie; Romano, Valeria; Sueur, Cédric; MacIntosh, Andrew J J

2016-02-26

Lice are socially-transmitted ectoparasites. Transmission depends upon their host's degree of contact with conspecifics. While grooming facilitates ectoparasite transmission via body contact, it also constrains their spread through parasite removal. We investigated relations between parasite burden and sociality in female Japanese macaques following two opposing predictions: i) central females in contact/grooming networks harbour more lice, related to their numerous contacts; ii) central females harbour fewer lice, related to receiving more grooming. We estimated lice load non-invasively using the conspicuous louse egg-picking behaviour performed by macaques during grooming. We tested for covariation in several centrality measures and lice load, controlling for season, female reproductive state and dominance rank. Results show that the interaction between degree centrality (number of partners) and seasonality predicted lice load: females interacting with more partners had fewer lice than those interacting with fewer partners in winter and summer, whereas there was no relationship between lice load and centrality in spring and fall. This is counter to the prediction that increased contact leads to greater louse burden but fits the prediction that social grooming limits louse burden. Interactions between environmental seasonality and both parasite and host biology appeared to mediate the role of social processes in louse burden.

Heat Transfer Through Dipolar Coupling: Sympathetic cooling without contact

NASA Astrophysics Data System (ADS)

Oktel, Mehmet; Renklioglu, Basak; Tanatar, Bilal

We consider two parallel layers of dipolar ultracold gases at different temperatures and calculate the heat transfer through dipolar coupling. As the simplest model we consider a system in which both of the layers contain two-dimensional spin-polarized Fermi gases. The effective interactions describing the correlation effects and screening between the dipoles are obtained by the Euler-Lagrange Fermi-hypernetted-chain approximation in a single layer. We use the random-phase approximation (RPA) for the interactions across the layers. We find that heat transfer through dipolar coupling becomes efficient when the layer separation is comparable to dipolar interaction length scale. We characterize the heat transfer by calculating the time constant for temperature equilibration between the layers and find that for the typical experimental parameter regime of dipolar molecules this is on the order of milliseconds. We generalize the initial model to Boson-Boson and Fermion-Boson layers and suggest that contactless sympathetic cooling may be used for ultracold dipolar molecules. Supported by TUBITAK 1002-116F030.

AFM Colloidal Probe Measurements Implicate Capillary Condensation in Punch-Particle Surface Interactions during Tableting.

PubMed

Badal Tejedor, Maria; Nordgren, Niklas; Schuleit, Michael; Millqvist-Fureby, Anna; Rutland, Mark W

2017-11-21

Adhesion of the powders to the punches is a common issue during tableting. This phenomenon is known as sticking and affects the quality of the manufactured tablets. Defective tablets increase the cost of the manufacturing process. Thus, the ability to predict the tableting performance of the formulation blend before the process is scaled-up is important. The adhesive propensity of the powder to the tableting tools is mostly governed by the surface-surface adhesive interactions. Atomic force microscopy (AFM) colloidal probe is a surface characterization technique that allows the measurement of the adhesive interactions between two materials of interest. In this study, AFM steel colloidal probe measurements were performed on ibuprofen, MCC (microcrystalline cellulose), α-lactose monohydrate, and spray-dried lactose particles as an approach to modeling the punch-particle surface interactions during tableting. The excipients (lactose and MCC) showed constant, small, attractive, and adhesive forces toward the steel surface after a repeated number of contacts. In comparison, ibuprofen displayed a much larger attractive and adhesive interaction increasing over time both in magnitude and in jump-in/jump-out separation distance. The type of interaction acting on the excipient-steel interface can be related to a van der Waals force, which is relatively weak and short-ranged. By contrast, the ibuprofen-steel interaction is described by a capillary force profile. Even though ibuprofen is not highly hydrophilic, the relatively smooth surfaces of the crystals allow "contact flooding" upon contact with the steel probe. Capillary forces increase because of the "harvesting" of moisture-due to the fast condensation kinetics-leaving a residual condensate that contributes to increase the interaction force after each consecutive contact. Local asperity contacts on the more hydrophilic surface of the excipients prevent the flooding of the contact zone, and there is no such adhesive effect under the same ambient conditions. The markedly different behavior detected by force measurements clearly shows the sticky and nonsticky propensity of the materials and allows a mechanistic description.

Spherical gearing with intermediate ball elements: parameter ranges with a high contact ratio

NASA Astrophysics Data System (ADS)

Gorbenko, M. V.; Gorbenko, T. I.

2017-02-01

The paper presents analytical research of the geometry and kinematical parameters of spherical gearing with ball intermediate elements. The main attention is paid to the influence of the offset coefficient on the tooth geometry generation, the contact ratio and the motion transmission angle. Intermediate ball element racetracks on the gear are trochoidal curves on a spherical surface. Two areas for the offset coefficient values providing a high value of the contact ratio - basic trochoid (without offset) and prolate trochoid with abutting racetracks of adjacent ball elements ― were revealed. Analysis of the investigated parameters showed that for power transmission, it is preferable to use spherical gearing without an offset, and for kinematic transmission, it is possible to use profiles with a large offset. The present study allows making a rational choice of geometrical parameters depending on the transmission predestination.

Evaluation of dispersion interaction in glyoxal/silica organomineral system

NASA Astrophysics Data System (ADS)

Sokolova, Y. V.; Ayzenshtadt, A. M.; Strokova, V. V.

2017-11-01

It is proposed to use an organomineral additive based on glyoxal and saponite-containing waste in order to stabilize the road base. Preliminary studies have shown that soil modification with the organomineral additive with a quantitative ratio of components of glyoxal - 0.52 % and saponite-containing material - 17 % of sand mass increases its specific cohesion by 50 times. However, it is necessary to study the mechanism of interaction between the additive components and soil to optimize the composition and technology of additive introduction into the soil. This paper examines dispersion interaction in glyoxal/silica organomineral system. The Hamaker constant was chosen as a main parameter to evaluate dispersion interaction. This constant is determined based on the principle of measuring the contact angle of wetting with service fluids and calculating the dispersion component of material surface tension. The Hamaker constant in the glyoxal/silica organomineral system was 0.25·10-20 - 2.8·10-20 J at different glyoxal contents, while its maximum value was observed at 0.52 % glyoxal content. The results compared with literature and previously obtained data demonstrated good reproducibility.

Natural variations in maternal and paternal care are associated with systematic changes in oxytocin following parent-infant contact.

PubMed

Feldman, Ruth; Gordon, Ilanit; Schneiderman, Inna; Weisman, Omri; Zagoory-Sharon, Orna

2010-09-01

Animal studies have demonstrated that the neuropeptide oxytocin (OT) plays a critical role in processes of parent-infant bonding through mechanisms of early parental care, particularly maternal grooming and contact. Yet, the involvement of OT in human parenting remains poorly understood, no data are available on the role of OT in the development of human fathering, and the links between patterns of parental care and the OT response have not been explored in humans. One hundred and twelve mothers and fathers engaged in a 15-min play-and-contact interaction with their 4-6-month-old infants and interactions were micro-coded for patterns of parental touch. Results showed that baseline levels of plasma and salivary OT in mothers and fathers were similar, OT levels in plasma and saliva were inter-related, and OT was associated with the parent-specific mode of tactile contact. Human mothers who provided high levels of affectionate contact showed an OT increase following mother-infant interaction but such increase was not observed among mothers displaying low levels of affectionate contact. Among fathers, only those exhibiting high levels of stimulatory contact showed an OT increase. These results demonstrate consistency in the neuroendocrine basis of human parental interactions with those seen in other mammals. The findings underscore the need to provide opportunities for paternal care to trigger the biological basis of fatherhood and suggest that interventions that permit social engagement may be recommended in conditions of diminished maternal-infant contact, such as prematurity or postpartum depression. Copyright 2010 Elsevier Ltd. All rights reserved.

Functional parameter screening for predicting durability of rolling sliding contacts with different surface finishes

NASA Astrophysics Data System (ADS)

Dimkovski, Z.; Lööf, P.-J.; Rosén, B.-G.; Nilsson, P. H.

2018-06-01

The reliability and lifetime of machine elements such as gears and rolling bearings depend on their wear and fatigue resistance. In order to screen the wear and surface damage, three finishing processes: (i) brushing, (ii) manganese phosphating and (iii) shot peening were applied on three disc pairs and long-term tested on a twin-disc tribometer. In this paper, the elastic contact of the disc surfaces (measured after only few revolutions) was simulated and a number of functional and roughness parameters were correlated. The functional parameters consisted of subsurface stresses at different depths and a new parameter called ‘pressure spikes’ factor’. The new parameter is derived from the pressure distribution and takes into account the proximity and magnitude of the pressure spikes. Strong correlations were found among the pressure spikes’ factor and surface peak/height parameters. The orthogonal shear stresses and Von Mises stresses at the shallowest depths under the surface have shown the highest correlations but no good correlations were found when the statistics of the whole stress fields was analyzed. The use of the new parameter offers a fast way to screen the durability of the contacting surfaces operating at similar conditions.

Integrated microelectromechanical gyroscope under shock loads

NASA Astrophysics Data System (ADS)

Nesterenko, T. G.; Koleda, A. N.; Barbin, E. S.

2018-01-01

The paper presents a new design of a shock-proof two-axis microelectromechanical gyroscope. Without stoppers, the shock load enables the interaction between the silicon sensor elements. Stoppers were installed in the gyroscope to prevent the contact interaction between electrodes and spring elements with fixed part of the sensor. The contact of stoppers occurs along the plane, thereby preventing the system from serious contact stresses. The shock resistance of the gyroscope is improved by the increase in its eigenfrequency at which the contact interaction does not occur. It is shown that the shock load directed along one axis does not virtually cause the movement of sensing elements along the crosswise axes. Maximum stresses observed in the proposed gyroscope at any loading direction do not exceed the value allowable for silicon.

Imaging contrast and tip-sample interaction of non-contact amplitude modulation atomic force microscopy with Q-control

NASA Astrophysics Data System (ADS)

Shi, Shuai; Guo, Dan; Luo, Jianbin

2017-10-01

Active quality factor (Q) exhibits many promising properties in dynamic atomic force microscopy. Energy dissipation and image contrasts are investigated in the non-contact amplitude modulation atomic force microscopy (AM-AFM) with an active Q-control circuit in the ambient air environment. Dissipated power and virial were calculated to compare the highly nonlinear interaction of tip-sample and image contrasts with different Q gain values. Greater free amplitudes and lower effective Q values show better contrasts for the same setpoint ratio. Active quality factor also can be employed to change tip-sample interaction force in non-contact regime. It is meaningful that non-destructive and better contrast images can be realized in non-contact AM-AFM by applying an active Q-control to the dynamic system.

Interracial Contact on College Campuses: Comparing and Contrasting Predictors of Cross-Racial Interaction and Interracial Friendship

ERIC Educational Resources Information Center

Bowman, Nicholas A.; Park, Julie J.

2014-01-01

Research on diversity in higher education has evolved to consider the nature of interracial contact and campus climate as well as the factors that may foster meaningful interactions. While some studies have explored predictors of cross-racial interaction (CRI) and interracial friendship (IRF), it remains unclear whether and how the same precollege…

See You See Me: the Role of Eye Contact in Multimodal Human-Robot Interaction.

PubMed

Xu, Tian Linger; Zhang, Hui; Yu, Chen

2016-05-01

We focus on a fundamental looking behavior in human-robot interactions - gazing at each other's face. Eye contact and mutual gaze between two social partners are critical in smooth human-human interactions. Therefore, investigating at what moments and in what ways a robot should look at a human user's face as a response to the human's gaze behavior is an important topic. Toward this goal, we developed a gaze-contingent human-robot interaction system, which relied on momentary gaze behaviors from a human user to control an interacting robot in real time. Using this system, we conducted an experiment in which human participants interacted with the robot in a joint attention task. In the experiment, we systematically manipulated the robot's gaze toward the human partner's face in real time and then analyzed the human's gaze behavior as a response to the robot's gaze behavior. We found that more face looks from the robot led to more look-backs (to the robot's face) from human participants and consequently created more mutual gaze and eye contact between the two. Moreover, participants demonstrated more coordinated and synchronized multimodal behaviors between speech and gaze when more eye contact was successfully established and maintained.

Dynamic train-track interaction at high vehicle speeds—Modelling of wheelset dynamics and wheel rotation

NASA Astrophysics Data System (ADS)

Torstensson, P. T.; Nielsen, J. C. O.; Baeza, L.

2011-10-01

Vertical dynamic train-track interaction at high vehicle speeds is investigated in a frequency range from about 20 Hz to 2.5 kHz. The inertial effects due to wheel rotation are accounted for in the vehicle model by implementing a structural dynamics model of a rotating wheelset. Calculated wheel-rail contact forces using the flexible, rotating wheelset model are compared with contact forces based on rigid, non-rotating models. For a validation of the train-track interaction model, calculated contact forces are compared with contact forces measured using an instrumented wheelset. When the system is excited at a frequency where two different wheelset mode shapes, due to the wheel rotation, have coinciding resonance frequencies, significant differences are found in the contact forces calculated with the rotating and non-rotating wheelset models. Further, the use of a flexible, rotating wheelset model is recommended for load cases leading to large magnitude contact force components in the high-frequency range (above 1.5 kHz). In particular, the influence of the radial wheel eigenmodes with two or three nodal diameters is significant.

Wettability of supercritical carbon dioxide/water/quartz systems: simultaneous measurement of contact angle and interfacial tension at reservoir conditions.

PubMed

Saraji, Soheil; Goual, Lamia; Piri, Mohammad; Plancher, Henry

2013-06-11

Injection of carbon dioxide in deep saline aquifers is considered as a method of carbon sequestration. The efficiency of this process is dependent on the fluid-fluid and rock-fluid interactions inside the porous media. For instance, the final storage capacity and total amount of capillary-trapped CO2 inside an aquifer are affected by the interfacial tension between the fluids and the contact angle between the fluids and the rock mineral surface. A thorough study of these parameters and their variations with temperature and pressure will provide a better understanding of the carbon sequestration process and thus improve predictions of the sequestration efficiency. In this study, the controversial concept of wettability alteration of quartz surfaces in the presence of supercritical carbon dioxide (sc-CO2) was investigated. A novel apparatus for measuring interfacial tension and contact angle at high temperatures and pressures based on Axisymmetric Drop Shape Analysis with no-Apex (ADSA-NA) method was developed and validated with a simple system. Densities, interfacial tensions, and dynamic contact angles of CO2/water/quartz systems were determined for a wide range of pressures and temperatures relevant to geological sequestration of CO2 in the subcritical and supercritical states. Image analysis was performed with ADSA-NA method that allows the determination of both interfacial tensions and contact angles with high accuracy. The results show that supercritical CO2 alters the wettability of quartz surface toward less water-wet conditions compared to subcritical CO2. Also we observed an increase in the water advancing contact angles with increasing temperature indicating less water-wet quartz surfaces at higher temperatures.

Double and multiple contacts of similar elastic materials

NASA Astrophysics Data System (ADS)

Sundaram, Narayan K.

Ongoing fretting fatigue research has focussed on developing robust contact mechanics solutions for complicated load histories involving normal, shear, moment and bulk loads. For certain indenter profiles and applied loads, the contact patch separates into two disconnected regions. Existing Singular Integral Equation (SIE) techniques do not address these situations. A fast numerical tool is developed to solve such problems for similar elastic materials for a wide range of profiles and load paths including applied moments and remote bulk-stress effects. This tool is then used to investigate two problems in double contacts. The first, to determine the shear configuration space for a biquadratic punch for the generalized Cattaneo-Mindlin problem. The second, to obtain quantitative estimates of the interaction between neighboring cylindrical contacts for both the applied normal load and partial slip problems up to the limits of validity of the halfspace assumption. In double contact problems without symmetry, obtaining a unique solution requires the satisfaction of a condition relating the contact ends, rigid-body rotation and profile function. This condition has the interpretation that a rigid-rod connecting the inner contact ends of an equivalent frictionless double contact of a rigid indenter and halfspace may only undergo rigid body motions. It is also found that the ends of stick-zones, local slips and remote-applied strains in double contact problems are related by an equation expressing tangential surface-displacement continuity. This equation is essential to solve partial-slip problems without contact equivalents. Even when neighboring cylindrical contacts may be treated as non-interacting for the purpose of determining the pressure tractions, this is not generally true if a shear load is applied. The mutual influence of neighboring contacts in partial slip problems is largest at small shear load fractions. For both the pressure and partial slip problems, the interactions are stronger with increasing strength of loading and contact proximity. A new contact algorithm is developed and the SIE method extended to tackle contact problems with an arbitrary number of contact patches with no approximations made about contact interactions. In the case of multiple contact problems determining the correct contact configuration is significantly more complicated than in double contacts, necessitating a new approach. Both the normal contact and partial slip problems are solved. The tool is then used to study contacts of regular rough cylinders, a flat with rounded punch with superimposed sinusoidal roughness and is also applied to analyze the contact of an experimental rough surface with a halfspace. The partial slip results for multiple-contacts are generally consistent with Cattaneo-Mindlin continuum scale results, in that the outermost contacts tend to be in full sliding. Lastly, the influence of plasticity on frictionless multiple contact problems is studied using FEM for two common steel and aluminum alloys. The key findings are that the plasticity decreases the peak pressure and increases both real and apparent contact areas, thus 'blunting' the sharp pressures caused by the contact asperities in pure elasticity. Further, it is found that contact plasticity effects and load for onset of first yield are strongly dependent on roughness amplitude, with higher plasticity effects and lower yield-onset load at higher roughness amplitudes.

Quark contact interactions at the LHC

NASA Astrophysics Data System (ADS)

Bazzocchi, F.; De Sanctis, U.; Fabbrichesi, M.; Tonero, A.

2012-06-01

Quark contact interactions are an important signal of new physics. We introduce a model in which the presence of a symmetry protects these new interactions from giving large corrections in flavor changing processes at low energies. This minimal model provides the basic set of operators which must be considered to contribute to the high-energy processes. To discuss their experimental signature in jet pairs produced in proton-proton collisions, we simplify the number of possible operators down to two. We show (for a representative integrated luminosity of 200pb-1 at s=7TeV) how the presence of two operators significantly modifies the bound on the characteristic energy scale of the contact interactions, which is obtained by keeping a single operator.

Use of various versions of Schwarz method for solving the problem of contact interaction of elastic bodies

NASA Astrophysics Data System (ADS)

Galanin, M. P.; Lukin, V. V.; Rodin, A. S.

2018-04-01

A definition of a sufficiently common problem of mechanical contact interaction in a system of elastic bodies is given. Various versions of realization of the Schwarz method for solving the contact problem numerically are described and the results of solution of a number of problems are presented. Special attention is paid to calculations where the grids in the bodies significantly differ in steps.

Hydrogen, Oxygen and Silicon Isotope Systematics of Groundwater-Magma Interaction in Icelandic Hydrothermal Systems

NASA Astrophysics Data System (ADS)

Kleine, B. I.; Stefansson, A.; Halldorsson, S. A.; Martin, W.; Barnes, J.; Jónasson, K.; Franzson, H.

2016-12-01

Magma often encounters groundwater (meteoric or seawater derived) when intruded into the crust. Magma-groundwater interactions result in the formation of hydrothermal fluids which can lead to contact metamorphism and elemental transport in the country rock. In fact, magma-hydrothermal fluid interaction (rather than magma-magmatic fluid interaction) may lead to classic contact metamorphic reactions. In order to explore the importance of hydrothermal fluid during contact metamorphism we use stable isotopes (δD, δ18O, δ30Si) from both active and extinct magma chambers and hydrothermal systems from across Iceland. Quartz grains from various hydrothermal systems, from crustal xenoliths from the Askja central volcano and from the Hafnarfjall pluton, as well as quartz grains associated with low-T zeolites were analysed for δ18O and δ30Si in-situ using SIMS. Whole rock material of these samples was analysed for δD values using a TCEA coupled to an IRMS. Our results indicate that low-T quartz (<150°C) are dominated by negative δ30Si values whereas positive δ30Si values prevail in quartz precipitated at higher T (>300°C). Combining the results from the analyses of δ18O and δD allows further division of samples into (i) seawater and/or rock dominated and (ii) meteoric water dominated hydrothermal systems. In order to isolate the effects of fluid-rock interaction, fluid source and formation temperature at the magma-groundwater contact, δD, δ18O and δ30Si values of rocks and fluids were modeled using the PHREEQC software. Comparison of analytical and model results shows that the isotopic compositions are influenced by multiple processes. In some cases, groundwater penetrates the contact zone and causes alteration at >400°C by groundwater-magma heat interaction. Other cases document "baked" contact zones without groundwater. Our analyses and modeling demonstrates that groundwater flow and permeability are crucial in setting the style of contact metamorphism around high T intrusions.

Tuning of Schottky barrier height of Al/n-Si by electron beam irradiation

NASA Astrophysics Data System (ADS)

Vali, Indudhar Panduranga; Shetty, Pramoda Kumara; Mahesha, M. G.; Petwal, V. C.; Dwivedi, Jishnu; Choudhary, R. J.

2017-06-01

The effect of electron beam irradiation (EBI) on Al/n-Si Schottky diode has been studied by I-V characterization at room temperature. The behavior of the metal-semiconductor (MS) interface is analyzed by means of variations in the MS contact parameters such as, Schottky barrier height (ΦB), ideality factor (n) and series resistance (Rs). These parameters were found to depend on the EBI dose having a fixed incident beam of energy 7.5 MeV. At different doses (500, 1000, 1500 kGy) of EBI, the Schottky contacts were prepared and extracted their contact parameters by applying thermionic emission and Cheung models. Remarkably, the tuning of ΦB was observed as a function of EBI dose. The improved n with increased ΦB is seen for all the EBI doses. As a consequence of which the thermionic emission is more favored. However, the competing transport mechanisms such as space charge limited emission, tunneling and tunneling through the trap states were ascribed due to n > 1. The analysis of XPS spectra have shown the presence of native oxide and increased radiation induced defect states. The thickness variation in the MS interface contributing to Schottky contact behavior is discussed. This study explains a new technique to tune Schottky contact parameters by metal deposition on the electron beam irradiated n-Si wafers.

Numerical analysis for finite-range multitype stochastic contact financial market dynamic systems

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

Yang, Ge; Wang, Jun; Fang, Wen, E-mail: fangwen@bjtu.edu.cn

In an attempt to reproduce and study the dynamics of financial markets, a random agent-based financial price model is developed and investigated by the finite-range multitype contact dynamic system, in which the interaction and dispersal of different types of investment attitudes in a stock market are imitated by viruses spreading. With different parameters of birth rates and finite-range, the normalized return series are simulated by Monte Carlo simulation method and numerical studied by power-law distribution analysis and autocorrelation analysis. To better understand the nonlinear dynamics of the return series, a q-order autocorrelation function and a multi-autocorrelation function are also definedmore » in this work. The comparisons of statistical behaviors of return series from the agent-based model and the daily historical market returns of Shanghai Composite Index and Shenzhen Component Index indicate that the proposed model is a reasonable qualitative explanation for the price formation process of stock market systems.« less

A mesoscopic simulation of static and dynamic wetting using many-body dissipative particle dynamics

NASA Astrophysics Data System (ADS)

Ghorbani, Najmeh; Pishevar, Ahmadreza

2018-01-01

A many-body dissipative particle dynamics simulation is applied here to pave the way for investigating the behavior of mesoscale droplets after impact on horizontal solid substrates. First, hydrophobic and hydrophilic substrates are simulated through tuning the solid-liquid interfacial interaction parameters of an innovative conservative force model. The static contact angles are calculated on homogeneous and several patterned surfaces and compared with the predicted values by the Cassie's law in order to verify the model. The results properly evaluate the amount of increase in surface superhydrophobicity as a result of surface patterning. Then drop impact phenomenon is studied by calculating the spreading factor and dimensionless height versus dimensionless time and the comparisons made between the results and the experimental values for three different static contact angles. The results show the capability of the procedure in calculating the amount of maximum spreading factor, which is a significant concept in ink-jet printing and coating process.

Acute irritant threshold correlates with barrier function, skin hydration and contact hypersensitivity in atopic dermatitis and rosacea.

PubMed

Darlenski, Razvigor; Kazandjieva, Jana; Tsankov, Nikolai; Fluhr, Joachim W

2013-11-01

The aim of the study was to disclose interactions between epidermal barrier, skin irritation and sensitization in healthy and diseased skin. Transepidermal water loss (TEWL) and stratum corneum hydration (SCH) were assessed in adult patients with atopic dermatitis (AD), rosacea and healthy controls. A 4-h patch test with seven concentrations of sodium lauryl sulphate was performed to determine the irritant threshold (IT). Contact sensitization pattern was revealed by patch testing with European baseline series. Subjects with a lower IT had higher TEWL values and lower SCH. Subjects with positive allergic reactions had significantly lower IT. In AD, epidermal barrier deterioration was detected on both volar forearm and nasolabial fold, while in rosacea, impeded skin physiology parameters were observed on the facial skin only, suggesting that barrier impediment is restricted to the face in rosacea, in contrast with AD where the abnormal skin physiology is generalized. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Statistical analysis and isotherm study of uranium biosorption by Padina sp. algae biomass.

PubMed

Khani, Mohammad Hassan

2011-06-01

The application of response surface methodology is presented for optimizing the removal of U ions from aqueous solutions using Padina sp., a brown marine algal biomass. Box-Wilson central composite design was employed to assess individual and interactive effects of the four main parameters (pH and initial uranium concentration in solutions, contact time and temperature) on uranium uptake. Response surface analysis showed that the data were adequately fitted to second-order polynomial model. Analysis of variance showed a high coefficient of determination value (R (2)=0.9746) and satisfactory second-order regression model was derived. The optimum pH and initial uranium concentration in solutions, contact time and temperature were found to be 4.07, 778.48 mg/l, 74.31 min, and 37.47°C, respectively. Maximized uranium uptake was predicted and experimentally validated. The equilibrium data for biosorption of U onto the Padina sp. were well represented by the Langmuir isotherm, giving maximum monolayer adsorption capacity as high as 376.73 mg/g.

Comprehensive analytical model for locally contacted rear surface passivated solar cells

NASA Astrophysics Data System (ADS)

Wolf, Andreas; Biro, Daniel; Nekarda, Jan; Stumpp, Stefan; Kimmerle, Achim; Mack, Sebastian; Preu, Ralf

2010-12-01

For optimum performance of solar cells featuring a locally contacted rear surface, the metallization fraction as well as the size and distribution of the local contacts are crucial, since Ohmic and recombination losses have to be balanced. In this work we present a set of equations which enable to calculate this trade off without the need of numerical simulations. Our model combines established analytical and empirical equations to predict the energy conversion efficiency of a locally contacted device. For experimental verification, we fabricate devices from float zone silicon wafers of different resistivity using the laser fired contact technology for forming the local rear contacts. The detailed characterization of test structures enables the determination of important physical parameters, such as the surface recombination velocity at the contacted area and the spreading resistance of the contacts. Our analytical model reproduces the experimental results very well and correctly predicts the optimum contact spacing without the use of free fitting parameters. We use our model to estimate the optimum bulk resistivity for locally contacted devices fabricated from conventional Czochralski-grown silicon material. These calculations use literature values for the stable minority carrier lifetime to account for the bulk recombination caused by the formation of boron-oxygen complexes under carrier injection.

Epitope mapping of imidazolium cations in ionic liquid-protein interactions unveils the balance between hydrophobicity and electrostatics towards protein destabilisation.

PubMed

Silva, Micael; Figueiredo, Angelo Miguel; Cabrita, Eurico J

2014-11-14

We investigated imidazolium-based ionic liquid (IL) interactions with human serum albumin (HSA) to discern the level of cation interactions towards protein stability. STD-NMR spectroscopy was used to observe the imidazolium IL protons involved in direct binding and to identify the interactions responsible for changes in Tm as accessed by differential scanning calorimetry (DSC). Cations influence protein stability less than anions but still significantly. It was found that longer alkyl side chains of imidazolium-based ILs (more hydrophobic) are associated with a higher destabilisation effect on HSA than short-alkyl groups (less hydrophobic). The reason for such destabilisation lies on the increased surface contact area of the cation with the protein, particularly on the hydrophobic contacts promoted by the terminus of the alkyl chain. The relevance of the hydrophobic contacts is clearly demonstrated by the introduction of a polar moiety in the alkyl chain: a methoxy or alcohol group. Such structural modification reduces the degree of hydrophobic contacts with HSA explaining the lesser extent of protein destabilisation when compared to longer alkyl side chain groups: above [C2mim](+). Competition STD-NMR experiments using [C2mim](+), [C4mim](+) and [C2OHmim](+) also validate the importance of the hydrophobic interactions. The combined effect of cation and anion interactions was explored using (35)Cl NMR. Such experiments show that the nature of the cation has no influence on the anion-protein contacts, still the nature of the anion modulates the cation-protein interaction. Herein we propose that more destabilising anions are likely to be a result of a partial contribution from the cation as a direct consequence of the different levels of interaction (cation-anion pair and cation-protein).

Bragg spectroscopy of strongly interacting Fermi gases

NASA Astrophysics Data System (ADS)

Lingham, M. G.; Fenech, K.; Peppler, T.; Hoinka, S.; Dyke, P.; Hannaford, P.; Vale, C. J.

2016-10-01

This article provides an overview of recent developments and emerging topics in the study of two-component Fermi gases using Bragg spectroscopy. Bragg scattering is achieved by exposing a gas to two intersecting laser beams with a slight frequency difference and measuring the momentum transferred to the atoms. By varying the Bragg laser detuning, it is possible to measure either the density or spin response functions which characterize the basic excitations present in the gas. Specifically, one can measure properties such as the dynamic and static structure factors, Tan's universal contact parameter and observe signatures for the onset of pair condensation locally within a gas.

Crystal growth of GaAs in space

NASA Technical Reports Server (NTRS)

Gatos, H. C.; Lagowski, J.; Pawlowicz, L. M.; Dabkowski, F.; Li, C. J.

1984-01-01

It is shown that stoichiometry variations in the GaAs melt during growth constitute the most critical parameter regarding defect formations and their interactions; this defect structure determines all relevant characteristics of GaAs. Convection in the melt leads to stoichiometric variations. Growth in axial magnetic fields reduces convection and permits the study of defect structure. In order to control stoichiometry in space and to accommodate expansion during solidification, a partially confined configuration was developed. A triangular prism is employed to contain the growth melt. This configuration permits the presence of the desired vapor phase in contact with the melt for controlling the melt stoichiometry.

Remote detection of mental workload changes using cardiac parameters assessed with a low-cost webcam.

PubMed

Bousefsaf, Frédéric; Maaoui, Choubeila; Pruski, Alain

2014-10-01

We introduce a new framework for detecting mental workload changes using video frames obtained from a low-cost webcam. Image processing in addition to a continuous wavelet transform filtering method were developed and applied to remove major artifacts and trends on raw webcam photoplethysmographic signals. The measurements are performed on human faces. To induce stress, we have employed a computerized and interactive Stroop color word test on a set composed by twelve participants. The electrodermal activity of the participants was recorded and compared to the mental workload curve assessed by merging two parameters derived from the pulse rate variability and photoplethysmographic amplitude fluctuations, which reflect peripheral vasoconstriction changes. The results exhibit strong correlation between the two measurement techniques. This study offers further support for the applicability of mental workload detection by remote and low-cost means, providing an alternative to conventional contact techniques. Copyright © 2014 Elsevier Ltd. All rights reserved.

Space orientation of total hip prosthesis. A method for three-dimensional determination.

PubMed

Herrlin, K; Selvik, G; Pettersson, H

1986-01-01

A method for in vivo determination of orientation and relation in space of components of total hip prosthesis is described. The method allows for determination of the orientation of the prosthetic components in well defined anatomic planes of the body. Furthermore the range of free motion from neutral position to the point of contact between the edge of the acetabular opening and the neck of the femoral component can be determined in various directions. To assess the accuracy of the calculations a phantom prosthesis was studied in nine different positions and the measurements of the space oriented parameters according to the present method correlated to measurements of the same parameters according to Selvik's stereophotogrammetric method. Good correlation was found. The role of prosthetic malpositioning and component interaction evaluated with the present method in the development of prosthetic loosening and displacement is discussed.

Development of method for experimental determination of wheel-rail contact forces and contact point position by using instrumented wheelset

NASA Astrophysics Data System (ADS)

Bižić, Milan B.; Petrović, Dragan Z.; Tomić, Miloš C.; Djinović, Zoran V.

2017-07-01

This paper presents the development of a unique method for experimental determination of wheel-rail contact forces and contact point position by using the instrumented wheelset (IWS). Solutions of key problems in the development of IWS are proposed, such as the determination of optimal locations, layout, number and way of connecting strain gauges as well as the development of an inverse identification algorithm (IIA). The base for the solution of these problems is the wheel model and results of FEM calculations, while IIA is based on the method of blind source separation using independent component analysis. In the first phase, the developed method was tested on a wheel model and a high accuracy was obtained (deviations of parameters obtained with IIA and really applied parameters in the model are less than 2%). In the second phase, experimental tests on the real object or IWS were carried out. The signal-to-noise ratio was identified as the main influential parameter on the measurement accuracy. Тhе obtained results have shown that the developed method enables measurement of vertical and lateral wheel-rail contact forces Q and Y and their ratio Y/Q with estimated errors of less than 10%, while the estimated measurement error of contact point position is less than 15%. At flange contact and higher values of ratio Y/Q or Y force, the measurement errors are reduced, which is extremely important for the reliability and quality of experimental tests of safety against derailment of railway vehicles according to the standards UIC 518 and EN 14363. The obtained results have shown that the proposed method can be successfully applied in solving the problem of high accuracy measurement of wheel-rail contact forces and contact point position using IWS.

Interactions of atomic hydrogen with amorphous SiO2

NASA Astrophysics Data System (ADS)

Yue, Yunliang; Wang, Jianwei; Zhang, Yuqi; Song, Yu; Zuo, Xu

2018-03-01

Dozens of models are investigated by the first-principles calculations to simulate the interactions of an atomic hydrogen with a defect-free random network of amorphous SiO2 (a-SiO2) and oxygen vacancies. A wide variety of stable configurations are discovered due to the disorder of a-SiO2, and their structures, charges, magnetic moments, spin densities, and density of states are calculated. The atomic hydrogen interacts with the defect-free a-SiO2 in positively or negatively charged state, and produces the structures absent in crystalline SiO2. It passivates the neutral oxygen vacancies and generates two neutral hydrogenated E‧ centers with different Si dangling bond projections. Electron spin resonance parameters, including Fermi contacts, and g-tensors, are calculated for these centers. The atomic hydrogen interacts with the positive oxygen vacancies in dimer configuration, and generate four different positive hydrogenated defects, two of which are puckered like the Eγ‧ centers. This research helps to understand the interactions between an atomic hydrogen, and defect-free a-SiO2 and oxygen vacancies, which may generate the hydrogen-complexed defects that play a key role in the degeneration of silicon/silica-based microelectronic devices.

Non-contact plant growth measurement method and system based on ubiquitous sensor network technologies.

PubMed

Suk, Jinweon; Kim, Seokhoon; Ryoo, Intae

2011-01-01

This paper proposes a non-contact plant growth measurement system using infrared sensors based on the ubiquitous sensor network (USN) technology. The proposed system measures plant growth parameters such as the stem radius of plants using real-time non-contact methods, and generates diameter, cross-sectional area and thickening form of plant stems using this measured data. Non-contact sensors have been used not to cause any damage to plants during measurement of the growth parameters. Once the growth parameters are measured, they are transmitted to a remote server using the sensor network technology and analyzed in the application program server. The analyzed data are then provided for administrators and a group of interested users. The proposed plant growth measurement system has been designed and implemented using fixed-type and rotary-type infrared sensor based measurement methods and devices. Finally, the system performance is compared and verified with the measurement data that have been obtained by practical field experiments.

Protein painting reveals solvent-excluded drug targets hidden within native protein–protein interfaces

PubMed Central

Luchini, Alessandra; Espina, Virginia; Liotta, Lance A.

2014-01-01

Identifying the contact regions between a protein and its binding partners is essential for creating therapies that block the interaction. Unfortunately, such contact regions are extremely difficult to characterize because they are hidden inside the binding interface. Here we introduce protein painting as a new tool that employs small molecules as molecular paints to tightly coat the surface of protein–protein complexes. The molecular paints, which block trypsin cleavage sites, are excluded from the binding interface. Following mass spectrometry, only peptides hidden in the interface emerge as positive hits, revealing the functional contact regions that are drug targets. We use protein painting to discover contact regions between the three-way interaction of IL1β ligand, the receptor IL1RI and the accessory protein IL1RAcP. We then use this information to create peptides and monoclonal antibodies that block the interaction and abolish IL1β cell signalling. The technology is broadly applicable to discover protein interaction drug targets. PMID:25048602

Search for contact interactions and large extra dimensions in the dilepton channel using proton–proton collisions at √s = 8 TeV with the ATLAS detector

DOE PAGES

Aad, G.

2014-12-11

Research is conducted for non-resonant new phenomena in dielectron and dimuon final states, originating from either contact interactions or large extra spatial dimensions. The LHC 2012 proton–proton collision dataset recorded by the ATLAS detector is used, corresponding to 20 fb –1 at √s = 8 TeV. The dilepton invariant mass spectrum is a discriminating variable in both searches, with the contact interaction search additionally utilizing the dilepton forward-backward asymmetry. No significant deviations from the Standard Model expectation are observed. Lower limits are set on the ℓℓqq contact interaction scale Λ between 15.4 TeV and 26.3 TeV, at the 95% credibilitymore » level. For large extra spatial dimensions, lower limits are set on the string scale MS between 3.2 TeV to 5.0 TeV.« less

Maintenance of electrostatic stabilization in altered tubulin lateral contacts may facilitate formation of helical filaments in foraminifera.

PubMed

Bassen, David M; Hou, Yubo; Bowser, Samuel S; Banavali, Nilesh K

2016-08-19

Microtubules in foraminiferan protists (forams) can convert into helical filament structures, in which longitudinal intraprotofilament interactions between tubulin heterodimers are thought to be lost, while lateral contacts across protofilaments are still maintained. The coarse geometric features of helical filaments are known through low-resolution negative stain electron microscopy (EM). In this study, geometric restraints derived from these experimental data were used to generate an average atomic-scale helical filament model, which anticipated a modest reorientation in the lateral tubulin heterodimer interface. Restrained molecular dynamics (MD) simulations of the nearest neighbor interactions combined with a Genalized Born implicit solvent model were used to assess the lateral, longitudinal, and seam contacts in 13-3 microtubules and the reoriented lateral contacts in the helical filament model. This electrostatic analysis suggests that the change in the lateral interface in the helical filament does not greatly diminish the lateral electrostatic interaction. After longitudinal dissociation, the 13-3 seam interaction is much weaker than the reoriented lateral interface in the helical filament model, providing a plausible atomic-detail explanation for seam-to-lateral contact transition that enables the transition to a helical filament structure.

Maintenance of electrostatic stabilization in altered tubulin lateral contacts may facilitate formation of helical filaments in foraminifera

NASA Astrophysics Data System (ADS)

Bassen, David M.; Hou, Yubo; Bowser, Samuel S.; Banavali, Nilesh K.

2016-08-01

Microtubules in foraminiferan protists (forams) can convert into helical filament structures, in which longitudinal intraprotofilament interactions between tubulin heterodimers are thought to be lost, while lateral contacts across protofilaments are still maintained. The coarse geometric features of helical filaments are known through low-resolution negative stain electron microscopy (EM). In this study, geometric restraints derived from these experimental data were used to generate an average atomic-scale helical filament model, which anticipated a modest reorientation in the lateral tubulin heterodimer interface. Restrained molecular dynamics (MD) simulations of the nearest neighbor interactions combined with a Genalized Born implicit solvent model were used to assess the lateral, longitudinal, and seam contacts in 13-3 microtubules and the reoriented lateral contacts in the helical filament model. This electrostatic analysis suggests that the change in the lateral interface in the helical filament does not greatly diminish the lateral electrostatic interaction. After longitudinal dissociation, the 13-3 seam interaction is much weaker than the reoriented lateral interface in the helical filament model, providing a plausible atomic-detail explanation for seam-to-lateral contact transition that enables the transition to a helical filament structure.

An adhesive contact mechanics formulation based on atomistically induced surface traction

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

Fan, Houfu; Ren, Bo; Li, Shaofan, E-mail: shaofan@berkeley.edu

2015-12-01

In this work, we have developed a novel multiscale computational contact formulation based on the generalized Derjuguin approximation for continua that are characterized by atomistically enriched constitutive relations in order to study macroscopic interaction between arbitrarily shaped deformable continua. The proposed adhesive contact formulation makes use of the microscopic interaction forces between individual particles in the interacting bodies. In particular, the double-layer volume integral describing the contact interaction (energy, force vector, matrix) is converted into a double-layer surface integral through a mathematically consistent approach that employs the divergence theorem and a special partitioning technique. The proposed contact model is formulatedmore » in the nonlinear continuum mechanics framework and implemented using the standard finite element method. With no large penalty constant, the stiffness matrix of the system will in general be well-conditioned, which is of great significance for quasi-static analysis. Three numerical examples are presented to illustrate the capability of the proposed method. Results indicate that with the same mesh configuration, the finite element computation based on the surface integral approach is faster and more accurate than the volume integral based approach. In addition, the proposed approach is energy preserving even in a very long dynamic simulation.« less

High-performance Förster resonance energy transfer (FRET)-based dye-sensitized solar cells: rational design of quantum dots for wide solar-spectrum utilization.

PubMed

Lee, Eunwoo; Kim, Chanhoi; Jang, Jyongsik

2013-07-29

High-performance Förster resonance energy transfer (FRET)-based dye-sensitized solar cells (DSSCs) have been successfully fabricated through the optimized design of a CdSe/CdS quantum-dot (QD) donor and a dye acceptor. This simple approach enables quantum dots and dyes to simultaneously utilize the wide solar spectrum, thereby resulting in high conversion efficiency over a wide wavelength range. In addition, major parameters that affect the FRET interaction between donor and acceptor have been investigated including the fluorescent emission spectrum of QD, and the content of deposited QDs into the TiO2 matrix. By judicious control of these parameters, the FRET interaction can be readily optimized for high photovoltaic performance. In addition, the as-synthesized water-soluble quantum dots were highly dispersed in a nanoporous TiO2 matrix, thereby resulting in excellent contact between donors and acceptors. Importantly, high-performance FRET-based DSSCs can be prepared without any infrared (IR) dye synthetic procedures. This novel strategy offers great potential for applications of dye-sensitized solar cells. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

“Immune Gate” of Psychopathology—The Role of Gut Derived Immune Activation in Major Psychiatric Disorders

PubMed Central

Rudzki, Leszek; Szulc, Agata

2018-01-01

Interaction between the gastrointestinal tract (GI) and brain functions has recently become a topic of growing interest in psychiatric research. These multidirectional interactions take place in the so-called gut-brain axis or more precisely, the microbiota-gut-brain axis. The GI tract is the largest immune organ in the human body and is also the largest surface of contact with the external environment. Its functions and permeability are highly influenced by psychological stress, which are often a precipitating factor in the first episode, reoccurrence and/or deterioration of symptoms of psychiatric disorders. In recent literature there is growing evidence that increased intestinal permeability with subsequent immune activation has a major role in the pathophysiology of various psychiatric disorders. Numerous parameters measured in this context seem to be aftermaths of those mechanisms, yet at the same time they may be contributing factors for immune mediated psychopathology. For example, immune activation related to gut-derived bacterial lipopolysaccharides (LPS) or various food antigens and exorphins were reported in major depression, schizophrenia, bipolar disorder, alcoholism and autism. In this review the authors will summarize the evidence and roles of such parameters and their assessment in major psychiatric disorders. PMID:29896124

Wetting, meniscus structure, and capillary interactions of microspheres bound to a cylindrical liquid interface.

PubMed

Kim, Paul Y; Dinsmore, Anthony D; Hoagland, David A; Russell, Thomas P

2018-03-14

Wetting, meniscus structure, and capillary interactions for polystyrene microspheres deposited on constant curvature cylindrical liquid interfaces, constructed from nonvolatile ionic or oligomeric liquids, were studied by optical interferometry and optical microscopy. The liquid interface curvature resulted from the preferential wetting of finite width lines patterned onto planar silicon substrates. Key variables included sphere diameter, nominal (or average) contact angle, and deviatoric interfacial curvature. Menisci adopted the quadrupolar symmetry anticipated by theory, with interfacial deformation closely following predicted dependences on sphere diameter and nominal contact angle. Unexpectedly, the contact angle was not constant locally around the contact line, the nominal contact angle varied among seemingly identical spheres, and the maximum interface deviation did not follow the predicted dependence on deviatoric interfacial curvature. Instead, this deviation was up to an order-of-magnitude larger than predicted. Trajectories of neighboring microspheres visually manifested quadrupole-quadrupole interactions, eventually producing square sphere packings that foreshadow interfacial assembly as a potential route to hierarchical 2D particle structures.

Anisotropic forces from spatially constrained focal adhesions mediate contact guidance directed cell migration

PubMed Central

Ray, Arja; Lee, Oscar; Win, Zaw; Edwards, Rachel M.; Alford, Patrick W.; Kim, Deok-Ho; Provenzano, Paolo P.

2017-01-01

Directed migration by contact guidance is a poorly understood yet vital phenomenon, particularly for carcinoma cell invasion on aligned collagen fibres. We demonstrate that for single cells, aligned architectures providing contact guidance cues induce constrained focal adhesion maturation and associated F-actin alignment, consequently orchestrating anisotropic traction stresses that drive cell orientation and directional migration. Consistent with this understanding, relaxing spatial constraints to adhesion maturation either through reduction in substrate alignment density or reduction in adhesion size diminishes the contact guidance response. While such interactions allow single mesenchymal-like cells to spontaneously ‘sense' and follow topographic alignment, intercellular interactions within epithelial clusters temper anisotropic cell–substratum forces, resulting in substantially lower directional response. Overall, these results point to the control of contact guidance by a balance of cell–substratum and cell–cell interactions, modulated by cell phenotype-specific cytoskeletal arrangements. Thus, our findings elucidate how phenotypically diverse cells perceive ECM alignment at the molecular level. PMID:28401884

Gait parameter control timing with dynamic manual contact or visual cues

PubMed Central

Shi, Peter; Werner, William

2016-01-01

We investigated the timing of gait parameter changes (stride length, peak toe velocity, and double-, single-support, and complete step duration) to control gait speed. Eleven healthy participants adjusted their gait speed on a treadmill to maintain a constant distance between them and a fore-aft oscillating cue (a place on a conveyor belt surface). The experimental design balanced conditions of cue modality (vision: eyes-open; manual contact: eyes-closed while touching the cue); treadmill speed (0.2, 0.4, 0.85, and 1.3 m/s); and cue motion (none, ±10 cm at 0.09, 0.11, and 0.18 Hz). Correlation analyses revealed a number of temporal relationships between gait parameters and cue speed. The results suggest that neural control ranged from feedforward to feedback. Specifically, step length preceded cue velocity during double-support duration suggesting anticipatory control. Peak toe velocity nearly coincided with its most-correlated cue velocity during single-support duration. The toe-off concluding step and double-support durations followed their most-correlated cue velocity, suggesting feedback control. Cue-tracking accuracy and cue velocity correlations with timing parameters were higher with the manual contact cue than visual cue. The cue/gait timing relationships generalized across cue modalities, albeit with greater delays of step-cycle events relative to manual contact cue velocity. We conclude that individual kinematic parameters of gait are controlled to achieve a desired velocity at different specific times during the gait cycle. The overall timing pattern of instantaneous cue velocities associated with different gait parameters is conserved across cues that afford different performance accuracies. This timing pattern may be temporally shifted to optimize control. Different cue/gait parameter latencies in our nonadaptation paradigm provide general-case evidence of the independent control of gait parameters previously demonstrated in gait adaptation paradigms. PMID:26936979

Estrogen response of MCF-7 cells grown on diverse substrates and in suspension culture: promotion of morphological heterogeneity, modulation of progestin receptor induction; cell-substrate interactions on collagen gels.

PubMed

Pourreau-Schneider, N; Berthois, Y; Mittre, H; Charpin, C; Jacquemier, J; Martin, P M

1984-12-01

In this study we observed the incidence of hormone sensitivity in the response of MCF-7 cells to estrogen stimulation when the cells were cultured in different contact environments (hydrophilic plastic, bovine corneal extracellular matrix, type I collagen and in suspension culture). The major purpose was to describe the influence of cell to cell and cell to substrate contacts on the morphological response to estrogen treatment. However, other parameters including growth and induction of progestin receptor were also explored, keeping in mind that the MCF-7 cell line, although representative of normal mammary epithelium in that it contains a similar hormone receptivity, was selected in vitro from a metastatic population in a pleural effusion. Although substrate conditions did not modify growth enhancement by estrogens, progestin receptor levels were significantly higher in three-dimensional spheroid cultures in which cell to cell contacts were optimal due to elimination of basal contact. A careful morphological survey of large surfaces lead to an objective opinion of the overall effect of the hormone treatment on the non-cloned cell line in which a marked heterogeneity in the response of individual cells was observed. In terms of morphofunctional differentiation, the edification of acini with dense microvillus coating was best in suspension culture. When sections were made perpendicular to the plane of cultures on collagen gel rafts two other phenomena were noted: decrease in intercellular junctions, resulting in reduced cell to cell cohesion, and accumulation biodegradation products in the collagen lattice. This suggested a hormone-mediated interaction between the metastatic cells and the fibrillar substrate, collagen I, one of the major constituents of tissue stroma. This estrogen response might be related to the metastatic phenotype and must be distinct from their hormone sensitivity in terms of growth and differentiation since hormone receptivity is generally considered to be a favorable prognosis for breast cancer.

Ti-48Al-2Cr-2Nb Evaluated Under Fretting Conditions

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa; Lerch, Bradley A.; Draper, Susan L.; Raj, Sai V.

2002-01-01

Material parameters govern many of the design decisions in any engineering task. When two materials are in contact and microscopically small, relative motions (either vibratory or creeping) occur, and fretting fatigue can result. Fretting fatigue is a material response influenced by the materials in contact as well as by such variables as loading and vibratory conditions. Fretting produces fresh, clean interacting surfaces and induces adhesion, galling, and wear in the contact zone. Time, money, and materials are unnecessarily wasted when galling and wear result in excessive fretting fatigue that leads to poorly performing, unreliable mechanical systems. Fretting fatigue is a complex problem of significant interest to aircraft engine manufacturers. It can occur in a variety of engine components. Numerous approaches, depending on the component and the operating conditions, have been taken to address the fretting problems. The components of interest in this investigation were the low-pressure turbine blades and disks. The blades in this case were titanium aluminide, Ti-48Al-2Cr- 2Nb, and the disk was a nickel-base superalloy, Inconel 718 (IN 718). A concern for these airfoils is the fretting in fitted interfaces at the dovetail where the blade and disk are connected. Careful design can reduce fretting in most cases, but not completely eliminate it, because the airfoils frequently have a skewed (angled) blade-disk dovetail attachment, which leads to a complex stress state. Furthermore, the local stress state becomes more complex when the influence of the metal-metal contact and the edge of contact are considered.

Stimulation of subterritories of the subthalamic nucleus reveals its role in the integration of the emotional and motor aspects of behavior

PubMed Central

Mallet, Luc; Schüpbach, Michael; N'Diaye, Karim; Remy, Philippe; Bardinet, Eric; Czernecki, Virginie; Welter, Marie-Laure; Pelissolo, Antoine; Ruberg, Merle; Agid, Yves; Yelnik, Jérôme

2007-01-01

Two parkinsonian patients who experienced transient hypomanic states when the subthalamic nucleus (STN) was stimulated during postoperative adjustment of the electrical parameters for antiparkinsonian therapy agreed to have the mood disorder reproduced, in conjunction with motor, cognitive, and behavioral evaluations and concomitant functional neuroimaging. During the experiment, STN stimulation again induced a hypomanic state concomitant with activation of cortical and thalamic regions known to process limbic and associative information. This observation suggests that the STN plays a role in the control of a complex behavior that includes emotional as well as cognitive and motor components. The localization of the four contacts of the quadripolar electrode was determined precisely with an interactive brain atlas. The results showed that (i) the hypomanic state was caused only by stimulation through one contact localized in the anteromedial STN; (ii) both this contact and the contact immediately dorsal to it improved the parkinsonian motor state; (iii) the most dorsal and ventral contacts, located at the boundaries of the STN, neither induced the behavioral disorder nor improved motor performance. Detailed analysis of these data led us to consider a model in which the three functional modalities, emotional, cognitive, and motor, are not processed in a segregated manner but can be subtly combined in the small volume of the STN. This nucleus would thus serve as a nexus that integrates the motor, cognitive, and emotional components of behavior and might consequently be an effective target for the treatment of behavioral disorders that combine emotional, cognitive, and motor impairment. PMID:17556546

Morphology and the Strength of Intermolecular Contact in Protein Crystals

NASA Technical Reports Server (NTRS)

Matsuura, Yoshiki; Chernov, Alexander A.

2002-01-01

The strengths of intermolecular contacts (macrobonds) in four lysozyme crystals were estimated based on the strengths of individual intermolecular interatomic interaction pairs. The periodic bond chain of these macrobonds accounts for the morphology of protein crystals as shown previously. Further in this paper, the surface area of contact, polar coordinate representation of contact site, Coulombic contribution on the macrobond strength, and the surface energy of the crystal have been evaluated. Comparing location of intermolecular contacts in different polymorphic crystal modifications, we show that these contacts can form a wide variety of patches on the molecular surface. The patches are located practically everywhere on this surface except for the concave active site. The contacts frequently include water molecules, with specific intermolecular hydrogen-bonds on the background of non-specific attractive interactions. The strengths of macrobonds are also compared to those of other protein complex systems. Making use of the contact strengths and taking into account bond hydration we also estimated crystal-water interfacial energies for different crystal faces.

A discrete element modelling approach for block impacts on trees

NASA Astrophysics Data System (ADS)

Toe, David; Bourrier, Franck; Olmedo, Ignatio; Berger, Frederic

2015-04-01

These past few year rockfall models explicitly accounting for block shape, especially those using the Discrete Element Method (DEM), have shown a good ability to predict rockfall trajectories. Integrating forest effects into those models still remain challenging. This study aims at using a DEM approach to model impacts of blocks on trees and identify the key parameters controlling the block kinematics after the impact on a tree. A DEM impact model of a block on a tree was developed and validated using laboratory experiments. Then, key parameters were assessed using a global sensitivity analyse. Modelling the impact of a block on a tree using DEM allows taking into account large displacements, material non-linearities and contacts between the block and the tree. Tree stems are represented by flexible cylinders model as plastic beams sustaining normal, shearing, bending, and twisting loading. Root soil interactions are modelled using a rotation stiffness acting on the bending moment at the bottom of the tree and a limit bending moment to account for tree overturning. The crown is taken into account using an additional mass distribute uniformly on the upper part of the tree. The block is represented by a sphere. The contact model between the block and the stem consists of an elastic frictional model. The DEM model was validated using laboratory impact tests carried out on 41 fresh beech (Fagus Sylvatica) stems. Each stem was 1,3 m long with a diameter between 3 to 7 cm. Wood stems were clamped on a rigid structure and impacted by a 149 kg charpy pendulum. Finally an intensive simulation campaign of blocks impacting trees was done to identify the input parameters controlling the block kinematics after the impact on a tree. 20 input parameters were considered in the DEM simulation model : 12 parameters were related to the tree and 8 parameters to the block. The results highlight that the impact velocity, the stem diameter, and the block volume are the three input parameters that control the block kinematics after impact.

Evolving learning rules and emergence of cooperation in spatial prisoner's dilemma.

PubMed

Moyano, Luis G; Sánchez, Angel

2009-07-07

In the evolutionary Prisoner's dilemma (PD) game, agents play with each other and update their strategies in every generation according to some microscopic dynamical rule. In its spatial version, agents do not play with every other but, instead, interact only with their neighbours, thus mimicking the existing of a social or contact network that defines who interacts with whom. In this work, we explore evolutionary, spatial PD systems consisting of two types of agents, each with a certain update (reproduction, learning) rule. We investigate two different scenarios: in the first case, update rules remain fixed for the entire evolution of the system; in the second case, agents update both strategy and update rule in every generation. We show that in a well-mixed population the evolutionary outcome is always full defection. We subsequently focus on two-strategy competition with nearest-neighbour interactions on the contact network and synchronised update of strategies. Our results show that, for an important range of the parameters of the game, the final state of the system is largely different from that arising from the usual setup of a single, fixed dynamical rule. Furthermore, the results are also very different if update rules are fixed or evolve with the strategies. In these respect, we have studied representative update rules, finding that some of them may become extinct while others prevail. We describe the new and rich variety of final outcomes that arise from this co-evolutionary dynamics. We include examples of other neighbourhoods and asynchronous updating that confirm the robustness of our conclusions. Our results pave the way to an evolutionary rationale for modelling social interactions through game theory with a preferred set of update rules.

Experimental study of contact edge roughness on sub-100 nm various circular shapes

NASA Astrophysics Data System (ADS)

Lee, Tae Y.; Ihm, Dongchul; Kang, Hyo C.; Lee, Jum B.; Lee, Byoung H.; Chin, Soo B.; Cho, Do H.; Song, Chang L.

2005-05-01

The measurement of edge roughness has become a hot issue in the semiconductor industry. Especially the contact roughness is being more critical as design rule shrinks. Major vendors offer a variety of features to measure the edge roughness in their CD-SEMs. For the line and space patterns, features such as Line Edge Roughness (LER) and Line Width Roughness (LWR) are available in current CD-SEMs. However the features currently available in commercial CD-SEM cannot provide a proper solution in monitoring the contact roughness. We had introduced a new parameter R, measurement algorithm and definition of contact edge roughness to quantify CER and CSR in previous paper. The parameter, R could provide an alternative solution to monitor contact or island pattern roughness. In this paper, we investigated to assess optimum number of CD measurement (1-D) and fitting method for CER or CSR. The study was based on a circular contact shape. Some new ideas to quantify CER or CSR were also suggested with preliminary experimental results.

Microglia is activated by astrocytes in trimethyltin intoxication

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

Roehl, Claudia; Sievers, Jobst

2005-04-01

Microglia participates in most acute and chronic neuropathologies and its activation appears to involve interactions with neurons and other glial cells. Trimethyltin (TMT)-induced brain damage is a well-characterized model of neurodegeneration, in which microglial activation occurs before neuronal degeneration. The aim of this in vitro study was to investigate the role of astroglia in TMT-induced microgliosis by using nitric oxide (NO), inducible NO synthase (iNOS), and morphological changes as parameters for microglial activation. Our investigation discusses (a) whether microglial cells can be activated directly by TMT; (b) if astroglial cells are capable of triggering or modulating microglial activation; (c) howmore » the morphology and survival of microglia and astrocytes are affected by TMT treatment; and (d) whether microglial-astroglial interactions depend on direct cell contact or on soluble factors. Our results show that microglia are more vulnerable to TMT than astrocytes are and cannot be activated directly by TMT with regard to the examined parameters. In bilayer coculture with viable astroglial cells, microglia produce NO in significant amounts at subcytotoxic concentrations of TMT (20 {mu}mol/l). At these TMT concentrations, microglial cells in coculture convert into small round cells without cell processes, whereas flat, fibroblast-like astrocytes convert into thin process bearing stellate cells with a dense and compact cell body. We conclude that astrocytes trigger microglial activation after treatment with TMT, although the mechanisms of this interaction remain unknown.« less

Physical Parameters of Components in Close Binary Systems: IV

NASA Astrophysics Data System (ADS)

Gazeas, K. D.; Baran, A.; Niarchos, P.; Zola, S.; Kreiner, J. M.; Ogloza, W.; Rucinski, S. M.; Zakrzewski, B.; Siwak, M.; Pigulski, A.; Drozdz, M.

2005-03-01

The paper presents new geometric, photometric and absolute parameters, derived from combined spectroscopic and photometric solutions, for ten contact binary systems. The analysis shows that three systems (EF Boo, GM Dra and SW Lac) are of W-type with shallow to moderate contact. Seven systems (V417 Aql, AH Aur, YY CrB, UX Eri, DZ Psc, GR Vir and NN Vir) are of A-type in a deep contact configuration. For six systems (V417 Aql, YY CrB, GM Dra, UX Eri, SW Lac and GR Vir) a spot model is introduced to explain the O'Connell effect in their light curves. The photometric and geometric elements of the systems are combined with the spectroscopic data taken at David Dunlap Observatory to yield the absolute parameters of the components.

From tunneling to point contact: Correlation between forces and current

NASA Astrophysics Data System (ADS)

Sun, Yan; Mortensen, Henrik; Schär, Sacha; Lucier, Anne-Sophie; Miyahara, Yoichi; Grütter, Peter; Hofer, Werner

2005-05-01

We used a combined ultrahigh vacuum scanning tunneling and atomic force microscope (STM/AFM) to study W tip-Au(111) sample interactions in the regimes from weak coupling to strong interaction and simultaneously measure current changes from picoamperes to microamperes. Close correlation between conductance and interaction forces in a STM configuration was observed. In particular, the electrical and mechanical points of contact are determined based on the observed barrier collapse and adhesive bond formation, respectively. These points of contact, as defined by force and current measurements, coincide within measurement error. Ab initio calculations of the current as a function of distance in the tunneling regime is in quantitative agreement with experimental results. The obtained results are discussed in the context of dissipation in noncontact AFM as well as electrical contact formation in molecular electronics.

Physician-applied contact pressure and table force response during unilateral thoracic manipulation.

PubMed

Kirstukas, S J; Backman, J A

1999-06-01

To measure the applied loading to human subjects during the reinforced unilateral thoracic manipulation. Biomechanical descriptive study. The National College of Chiropractic Clinical Biomechanical Laboratory in Lombard, Illinois. Seven men, ages 24 to 47, with no positive responses regarding muscle relaxants or thoracic spinal fractures, surgeries, or pain. We measured the contact pressure distribution at the physician-subject contact region and extracted three biomechanical parameters. From the measured time-dependent support force magnitudes, we extracted five additional biomechanical parameters. In the application of the reinforced unilateral manipulative treatment, the physician establishes contact and applies a near-static preload force of 250 to 350 N. The dynamic portion of the typical thrust is preceded by a 22% decrease in force magnitude, and the peak thrust magnitude is linearly related to the preload force magnitude. We estimate that the peak contact pressure beneath the chiropractor's pisiform can exceed 1000 kPa, with the highest pressures transmitted over areas as small as 3.6 cm2, depending on manipulative style. This work represents the first attempt at performing simultaneous measurements of the physician-applied loading and table force response and measuring the contact pressure distribution at the physician-patient contact region during chiropractic manipulation. This type of work will lead to a better understanding of the relationship between the dynamic physician-applied normal forces and the resulting load response at the table and gives us additional outcome parameters to quantify manipulative technique.

Binding Direction-Based Two-Dimensional Flattened Contact Area Computing Algorithm for Protein-Protein Interactions.

PubMed

Kang, Beom Sik; Pugalendhi, GaneshKumar; Kim, Ku-Jin

2017-10-13

Interactions between protein molecules are essential for the assembly, function, and regulation of proteins. The contact region between two protein molecules in a protein complex is usually complementary in shape for both molecules and the area of the contact region can be used to estimate the binding strength between two molecules. Although the area is a value calculated from the three-dimensional surface, it cannot represent the three-dimensional shape of the surface. Therefore, we propose an original concept of two-dimensional contact area which provides further information such as the ruggedness of the contact region. We present a novel algorithm for calculating the binding direction between two molecules in a protein complex, and then suggest a method to compute the two-dimensional flattened area of the contact region between two molecules based on the binding direction.

Scaling Effects on Materials Tribology: From Macro to Micro Scale.

PubMed

Stoyanov, Pantcho; Chromik, Richard R

2017-05-18

The tribological study of materials inherently involves the interaction of surface asperities at the micro to nanoscopic length scales. This is the case for large scale engineering applications with sliding contacts, where the real area of contact is made up of small contacting asperities that make up only a fraction of the apparent area of contact. This is why researchers have sought to create idealized experiments of single asperity contacts in the field of nanotribology. At the same time, small scale engineering structures known as micro- and nano-electromechanical systems (MEMS and NEMS) have been developed, where the apparent area of contact approaches the length scale of the asperities, meaning the real area of contact for these devices may be only a few asperities. This is essentially the field of microtribology, where the contact size and/or forces involved have pushed the nature of the interaction between two surfaces towards the regime where the scale of the interaction approaches that of the natural length scale of the features on the surface. This paper provides a review of microtribology with the purpose to understand how tribological processes are different at the smaller length scales compared to macrotribology. Studies of the interfacial phenomena at the macroscopic length scales (e.g., using in situ tribometry) will be discussed and correlated with new findings and methodologies at the micro-length scale.

Scaling Effects on Materials Tribology: From Macro to Micro Scale

PubMed Central

Stoyanov, Pantcho; Chromik, Richard R.

2017-01-01

The tribological study of materials inherently involves the interaction of surface asperities at the micro to nanoscopic length scales. This is the case for large scale engineering applications with sliding contacts, where the real area of contact is made up of small contacting asperities that make up only a fraction of the apparent area of contact. This is why researchers have sought to create idealized experiments of single asperity contacts in the field of nanotribology. At the same time, small scale engineering structures known as micro- and nano-electromechanical systems (MEMS and NEMS) have been developed, where the apparent area of contact approaches the length scale of the asperities, meaning the real area of contact for these devices may be only a few asperities. This is essentially the field of microtribology, where the contact size and/or forces involved have pushed the nature of the interaction between two surfaces towards the regime where the scale of the interaction approaches that of the natural length scale of the features on the surface. This paper provides a review of microtribology with the purpose to understand how tribological processes are different at the smaller length scales compared to macrotribology. Studies of the interfacial phenomena at the macroscopic length scales (e.g., using in situ tribometry) will be discussed and correlated with new findings and methodologies at the micro-length scale. PMID:28772909

A superellipsoid-plane model for simulating foot-ground contact during human gait.

PubMed

Lopes, D S; Neptune, R R; Ambrósio, J A; Silva, M T

2016-01-01

Musculoskeletal models and forward dynamics simulations of human movement often include foot-ground interactions, with the foot-ground contact forces often determined using a constitutive model that depends on material properties and contact kinematics. When using soft constraints to model the foot-ground interactions, the kinematics of the minimum distance between the foot and planar ground needs to be computed. Due to their geometric simplicity, a considerable number of studies have used point-plane elements to represent these interacting bodies, but few studies have provided comparisons between point contact elements and other geometrically based analytical solutions. The objective of this work was to develop a more general-purpose superellipsoid-plane contact model that can be used to determine the three-dimensional foot-ground contact forces. As an example application, the model was used in a forward dynamics simulation of human walking. Simulation results and execution times were compared with a point-like viscoelastic contact model. Both models produced realistic ground reaction forces and kinematics with similar computational efficiency. However, solving the equations of motion with the surface contact model was found to be more efficient (~18% faster), and on average numerically ~37% less stiff. The superellipsoid-plane elements are also more versatile than point-like elements in that they allow for volumetric contact during three-dimensional motions (e.g. rotating, rolling, and sliding). In addition, the superellipsoid-plane element is geometrically accurate and easily integrated within multibody simulation code. These advantages make the use of superellipsoid-plane contact models in musculoskeletal simulations an appealing alternative to point-like elements.

Residue-residue contacts: application to analysis of secondary structure interactions.

PubMed

Potapov, Vladimir; Edelman, Marvin; Sobolev, Vladimir

2013-01-01

Protein structures and their complexes are formed and stabilized by interactions, both inside and outside of the protein. Analysis of such interactions helps in understanding different levels of structures (secondary, super-secondary, and oligomeric states). It can also assist molecular biologists in understanding structural consequences of modifying proteins and/or ligands. In this chapter, our definition of atom-atom and residue-residue contacts is described and applied to analysis of protein-protein interactions in dimeric β-sandwich proteins.

Statistical analysis of landing contact conditions for three lifting body research vehicles

NASA Technical Reports Server (NTRS)

Larson, R. R.

1972-01-01

The landing contact conditions for the HL-10, M2-F2/F3, and the X-24A lifting body vehicles are analyzed statistically for 81 landings. The landing contact parameters analyzed are true airspeed, peak normal acceleration at the center of gravity, roll angle, and roll velocity. Ground measurement parameters analyzed are lateral and longitudinal distance from intended touchdown, lateral distance from touchdown to full stop, and rollout distance. The results are presented in the form of histograms for frequency distributions and cumulative frequency distribution probability curves with a Pearson Type 3 curve fit for extrapolation purposes.

Quantum dot as spin current generator and energy harvester

NASA Astrophysics Data System (ADS)

Szukiewicz, Barbara; Wysokiński, Karol I.

2015-05-01

The thermoelectric transport in the device composed of a central nanoscopic system in contact with two electrodes and subject to the external magnetic field of Zeeman type has been studied. The device can support pure spin current in the electrodes and may serve as a source of the temperature induced spin currents with possible applications in spintronics. The system may also be used as an energy harvester. We calculate its thermodynamic efficiency η and the power output P. The maximal efficiency of the device reaches the Carnot value when the device works reversibly but with the vanishing power. The interactions between carriers diminish the maximal efficiency of the device, which under the constant load drops well below the Carnot limit but may exceed the Curzon-Ahlborn limit. While the effect of intradot Coulomb repulsion on η depends on the parameters, the interdot/interlevel interaction strongly diminishes the device efficiency.

Creation of Two-Particle Entanglement in Open Macroscopic Quantum Systems

DOE PAGES

Merkli, M.; Berman, G. P.; Borgonovi, F.; ...

2012-01-01

We considermore » an open quantum system of N not directly interacting spins (qubits) in contact with both local and collective thermal environments. The qubit-environment interactions are energy conserving. We trace out the variables of the thermal environments and N − 2 qubits to obtain the time-dependent reduced density matrix for two arbitrary qubits. We numerically simulate the reduced dynamics and the creation of entanglement (concurrence) as a function of the parameters of the thermal environments and the number of qubits, N . Our results demonstrate that the two-qubit entanglement generally decreases as N increases. We show analytically that, in the limit N → ∞ , no entanglement can be created. This indicates that collective thermal environments cannot create two-qubit entanglement when many qubits are located within a region of the size of the environment coherence length. We discuss possible relevance of our consideration to recent quantum information devices and biosystems.« less

Brief Report: A Longitudinal Study of Excessive Smiling and Laughing in Children with Angelman Syndrome.

PubMed

Adams, Dawn; Horsler, Kate; Mount, Rebecca; Oliver, Chris

2015-08-01

Elevated laughing and smiling is a key characteristic of the Angelman syndrome behavioral phenotype, with cross-sectional studies reporting changes with environment and age. This study compares levels of laughing and smiling in 12 participants across three experimental conditions [full social interaction (with eye contact), social interaction with no eye contact, proximity only] at two data points. No differences were noted in frequency of laughing and smiling over time in any condition. However, with age as a covariate, the frequency of laughing and smiling decreased over time in the full social interaction (with eye contact) condition only. As this is the first longitudinal study to explore these behaviors in Angelman syndrome, the results suggest a gene-environment-time interaction within the behavioral phenotype.

Arabidopsis thaliana polyamine content is modified by the interaction with different Trichoderma species.

PubMed

Salazar-Badillo, Fatima Berenice; Sánchez-Rangel, Diana; Becerra-Flora, Alicia; López-Gómez, Miguel; Nieto-Jacobo, Fernanda; Mendoza-Mendoza, Artemio; Jiménez-Bremont, Juan Francisco

2015-10-01

Plants are associated with a wide range of microorganisms throughout their life cycle, and some interactions result on plant benefits. Trichoderma species are plant beneficial fungi that enhance plant growth and development, contribute to plant nutrition and induce defense responses. Nevertheless, the molecules involved in these beneficial effects still need to be identify. Polyamines are ubiquitous molecules implicated in plant growth and development, and in the establishment of plant microbe interactions. In this study, we assessed the polyamine profile in Arabidopsis plants during the interaction with Trichoderma virens and Trichoderma atroviride, using a system that allows direct plant-fungal contact or avoids their physical interaction (split system). The plantlets that grew in the split system exhibited higher biomass than the ones in direct contact with Trichoderma species. After 3 days of interaction, a significant decrease in Arabidopsis polyamine levels was observed in both systems (direct contact and split). After 5 days of interaction polyamine levels were increased. The highest levels were observed with T. atroviride (split system), and with T. virens (direct contact). The expression levels of Arabidopsis ADC1 and ADC2 genes during the interaction with the fungi were also assessed. We observed a time dependent regulation of ADC1 and ADC2 genes, which correlates with polyamine levels. Our data show an evident change in polyamine profile during Arabidopsis - Trichoderma interaction, accompanied by evident alterations in plant root architecture. Polyamines could be involved in the changes undergone by plant during the interaction with this beneficial fungus. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

Effect of friction on rolling tire-pavement interaction.

DOT National Transportation Integrated Search

2010-11-01

Accurate modeling of tirepavement contact behavior (i.e., distribution of contact tractions at the : interface) plays an important role in the analysis of pavement performance and vehicle driving safety. : The tirepavement contact is essentiall...

2012 Survey of Reserve Components Spouses (RCSS): Tabulations of Responses

DTIC Science & Technology

2012-09-30

injury/medical problems Child care problems Other family/personal obligation Maternity / paternity leave Labor dispute Weather affected job School...Did you interact with the unit or Service point of contact? ............................. 262  36.  How satisfied are you with the level of assistance...I did not interact with the unit or Service point of contact were tabulated separately, as responses to the constructed question Did you interact

See You See Me: the Role of Eye Contact in Multimodal Human-Robot Interaction

PubMed Central

XU, TIAN (LINGER); ZHANG, HUI; YU, CHEN

2016-01-01

We focus on a fundamental looking behavior in human-robot interactions – gazing at each other’s face. Eye contact and mutual gaze between two social partners are critical in smooth human-human interactions. Therefore, investigating at what moments and in what ways a robot should look at a human user’s face as a response to the human’s gaze behavior is an important topic. Toward this goal, we developed a gaze-contingent human-robot interaction system, which relied on momentary gaze behaviors from a human user to control an interacting robot in real time. Using this system, we conducted an experiment in which human participants interacted with the robot in a joint attention task. In the experiment, we systematically manipulated the robot’s gaze toward the human partner’s face in real time and then analyzed the human’s gaze behavior as a response to the robot’s gaze behavior. We found that more face looks from the robot led to more look-backs (to the robot’s face) from human participants and consequently created more mutual gaze and eye contact between the two. Moreover, participants demonstrated more coordinated and synchronized multimodal behaviors between speech and gaze when more eye contact was successfully established and maintained. PMID:28966875

Numerical Simulations of Shock Wave Refraction at Inclined Gas Contact Discontinuity

ERIC Educational Resources Information Center

Bulat, Pavel V.; Volkov, Konstantin N.

2016-01-01

When a shock wave interacts with a contact discontinuity, there may appear a reflected rarefaction wave, a deflected contact discontinuity and a refracted supersonic shock. The numerical simulation of shock wave refraction at a plane contact discontinuity separating gases with different densities is performed. Euler equations describing inviscid…

Strong CH/O interactions between polycyclic aromatic hydrocarbons and water: Influence of aromatic system size.

PubMed

Veljković, Dušan Ž

2018-03-01

Energies of CH/O interactions between water molecule and polycyclic aromatic hydrocarbons with a different number of aromatic rings were calculated using ab initio calculations at MP2/cc-PVTZ level. Results show that an additional aromatic ring in structure of polycyclic aromatic hydrocarbons significantly strengthens CH/O interactions. Calculated interaction energies in optimized structures of the most stable tetracene/water complex is -2.27 kcal/mol, anthracene/water is -2.13 kcal/mol and naphthalene/water is -1.97 kcal/mol. These interactions are stronger than CH/O contacts in benzene/water complex (-1.44 kcal/mol) while CH/O contacts in tetracene/water complex are even stronger than CH/O contacts in pyridine/water complexes (-2.21 kcal/mol). Electrostatic potential maps for different polycyclic aromatic hydrocarbons were calculated and used to explain trends in the energies of interactions. Copyright © 2017 Elsevier Inc. All rights reserved.

Contact interaction of the Bi12GeO20, Bi12SiO20, and Bi4Ge3O12 melts with noble metals

NASA Astrophysics Data System (ADS)

Denisov, V. M.; Podkopaev, O. I.; Denisova, L. T.; Kuchumova, O. V.; Istomin, S. A.; Pastukhov, E. A.

2014-02-01

The sessile drop method is used to study the contact interaction of Ag, Au, Pd, Pt, and Ir with the Bi2O3-GeO2 and Bi2O3-SiO2 melts. These melts spread over Ag and Pd and, in some cases, over Au and Pt at a rather high speed and form equilibrium contact angles on Ir.

Surface Mediated Protein Disaggregation

NASA Astrophysics Data System (ADS)

Radhakrishna, Mithun; Kumar, Sanat K.

2014-03-01

Preventing protein aggregation is of both biological and industrial importance. Biologically these aggregates are known to cause amyloid type diseases like Alzheimer's and Parkinson's disease. Protein aggregation leads to reduced activity of the enzymes in industrial applications. Inter-protein interactions between the hydrophobic residues of the protein are known to be the major driving force for protein aggregation. In the current paper we show how surface chemistry and curvature can be tuned to mitigate these inter-protein interactions. Our results calculated in the framework of the Hydrophobic-Polar (HP) lattice model show that, inter-protein interactions can be drastically reduced by increasing the surface hydrophobicity to a critical value corresponding to the adsorption transition of the protein. At this value of surface hydrophobicity, proteins lose inter-protein contacts to gain surface contacts and thus the surface helps in reducing the inter-protein interactions. Further, we show that the adsorption of the proteins inside hydrophobic pores of optimal sizes are most efficient both in reducing inter-protein contacts and simultaneously retaining most of the native-contacts due to strong protein-surface interactions coupled with stabilization due to the confinement. Department of Energy (Grant No DE-FG02-11ER46811).

A Novel Tactile Sensor with Electromagnetic Induction and Its Application on Stick-Slip Interaction Detection

PubMed Central

Liu, Yanjie; Han, Haijun; Liu, Tao; Yi, Jingang; Li, Qingguo; Inoue, Yoshio

2016-01-01

Real-time detection of contact states, such as stick-slip interaction between a robot and an object on its end effector, is crucial for the robot to grasp and manipulate the object steadily. This paper presents a novel tactile sensor based on electromagnetic induction and its application on stick-slip interaction. An equivalent cantilever-beam model of the tactile sensor was built and capable of constructing the relationship between the sensor output and the friction applied on the sensor. With the tactile sensor, a new method to detect stick-slip interaction on the contact surface between the object and the sensor is proposed based on the characteristics of friction change. Furthermore, a prototype was developed for a typical application, stable wafer transferring on a wafer transfer robot, by considering the spatial magnetic field distribution and the sensor size according to the requirements of wafer transfer. The experimental results validate the sensing mechanism of the tactile sensor and verify its feasibility of detecting stick-slip on the contact surface between the wafer and the sensor. The sensing mechanism also provides a new approach to detect the contact state on the soft-rigid surface in other robot-environment interaction systems. PMID:27023545

Redox Regulation of Cell Contacts by Tricellulin and Occludin: Redox-Sensitive Cysteine Sites in Tricellulin Regulate Both Tri- and Bicellular Junctions in Tissue Barriers as Shown in Hypoxia and Ischemia.

PubMed

Cording, Jimmi; Günther, Ramona; Vigolo, Emilia; Tscheik, Christian; Winkler, Lars; Schlattner, Isabella; Lorenz, Dorothea; Haseloff, Reiner F; Schmidt-Ott, Kai M; Wolburg, Hartwig; Blasig, Ingolf E

2015-11-01

Tight junctions (TJs) seal paracellular clefts in epithelia/endothelia and form tissue barriers for proper organ function. TJ-associated marvel proteins (TAMPs; tricellulin, occludin, marvelD3) are thought to be relevant to regulation. Under normal conditions, tricellulin tightens tricellular junctions against macromolecules. Traces of tricellulin occur in bicellular junctions. As pathological disturbances have not been analyzed, the structure and function of human tricellulin, including potentially redox-sensitive Cys sites, were investigated under reducing/oxidizing conditions at 3- and 2-cell contacts. Ischemia, hypoxia, and reductants redistributed tricellulin from 3- to 2-cell contacts. The extracellular loop 2 (ECL2; conserved Cys321, Cys335) trans-oligomerized between three opposing cells. Substitutions of these residues caused bicellular localization. Cys362 in transmembrane domain 4 contributed to bicellular heterophilic cis-interactions along the cell membrane with claudin-1 and marvelD3, while Cys395 in the cytosolic C-terminal tail promoted homophilic tricellullar cis-interactions. The Cys sites included in homo-/heterophilic bi-/tricellular cis-/trans-interactions contributed to cell barrier tightness for small/large molecules. Tricellulin forms TJs via trans- and cis-association in 3-cell contacts, as demonstrated electron and quantified fluorescence microscopically; it tightens 3- and 2-cell contacts. Tricellulin's ECL2 specifically seals 3-cell contacts redox dependently; a structural model is proposed. TAMP ECL2 and claudins' ECL1 share functionally and structurally similar features involved in homo-/heterophilic tightening of cell-cell contacts. Tricellulin is a specific redox sensor and sealing element at 3-cell contacts and may compensate as a redox mediator for occludin loss at 2-cell contacts in vivo and in vitro. Molecular interaction mechanisms were proposed that contribute to tricellulin's function. In conclusion, tricellulin is a junctional redox regulator for ischemia-related alterations.

Contact Lens Solutions and Contact Lens Discomfort: Examining the Correlations Between Solution Components, Keratitis, and Contact Lens Discomfort.

PubMed

Kuc, Christopher J; Lebow, Kenneth A

2018-06-13

This article will examine the current literature, as it relates to contact lens discomfort (CLD) secondary to contact lens solutions. The reader will better understand the characteristics of contact lenses, as they uniquely interact with each type of contact lens solution and also gain a better comprehension of the components of contact lens solution such as preservatives, surfactants, and chelating agents, which may contribute to discomfort. By investigating corneal staining theory and the mechanisms that contribute to its presence, the reader will gain insight into this clinical finding, which relates to selection of contact lens solutions. The FDA standards for testing solutions and how this relates to contact lens keratitis will also be appraised in regards to current ISO recommendations. Finally, better selection of multipurpose contact lens solution (MPS) and hydrogen peroxide-based solutions for patients should be accessible to the clinician based on this review and preexisting clinical findings or diagnoses. A review of current published literature from peer reviewed journals and online journals was conducted to gain an understanding of contact lens solution's impact on contact lens discomfort. Many studies have been conducted comparing comfort between various types of contact lens solutions. It is challenging to decipher this information and apply it clinically when selecting solutions for patients. By comparing solution components, how contact lens solutions interact with different types of lenses, keratitis related to contact lenses, and preexisting ocular conditions, this review will improve a clinician's ability to eliminate CLD.

Sobol's sensitivity analysis for a fuel cell stack assembly model with the aid of structure-selection techniques

NASA Astrophysics Data System (ADS)

Zhang, Wei; Cho, Chongdu; Piao, Changhao; Choi, Hojoon

2016-01-01

This paper presents a novel method for identifying the main parameters affecting the stress distribution of the components used in assembly modeling of proton exchange membrane fuel cell (PEMFC) stack. This method is a combination of an approximation model and Sobol's method, which allows a fast global sensitivity analysis for a set of uncertain parameters using only a limited number of calculations. Seven major parameters, i.e., Young's modulus of the end plate and the membrane electrode assembly (MEA), the contact stiffness between the MEA and bipolar plate (BPP), the X and Y positions of the bolts, the pressure of each bolt, and the thickness of the end plate, are investigated regarding their effect on four metrics, i.e., the maximum stresses of the MEA, BPP, and end plate, and the stress distribution percentage of the MEA. The analysis reveals the individual effects of each parameter and its interactions with the other parameters. The results show that the X position of a bolt has a major influence on the maximum stresses of the BPP and end plate, whereas the thickness of the end plate has the strongest effect on both the maximum stress and the stress distribution percentage of the MEA.

Efficient removal of cadmium using magnetic multiwalled carbon nanotube nanoadsorbents: equilibrium, kinetic, and thermodynamic study

NASA Astrophysics Data System (ADS)

Pashai Gatabi, Maliheh; Milani Moghaddam, Hossain; Ghorbani, Mohsen

2016-07-01

Adsorptive potential of maghemite decorated multiwalled carbon nanotubes (MWCNTs) for the removal of cadmium ions from aqueous solution was investigated. The magnetic nanoadsorbent was synthesized using a versatile and cost effective chemical route. Structural, magnetic and surface charge properties of the adsorbent were characterized using FTIR, XRD, TEM, VSM analysis and pHPZC determination. Batch adsorption experiments were performed under varied system parameters such as pH, contact time, initial cadmium concentration and temperature. Highest cadmium adsorption was obtained at pH 8.0 and contact time of 30 min. Adsorption behavior was kinetically studied using pseudo first-order, pseudo second-order, and Weber-Morris intra particle diffusion models among which data were mostly correlated to pseudo second-order model. Adsorbate-adsorbent interactions as a function of temperature was assessed by Langmuir, Freundlich, Dubinin-Radushkevich (D-R) and Temkin isotherm models from which Freundlich model had the highest consistency with the data. The adsorption capacity increased with increasing temperature and maximum Langmuir's adsorption capacity was found to be 78.81 mg g-1 at 298 K. Thermodynamic parameters and activation energy value suggest that the process of cadmium removal was spontaneous and physical in nature, which lead to fast kinetics and high regeneration capability of the nanoadsorbent. Results of this work are of great significance for environmental applications of magnetic MWCNTs as promising adsorbent for heavy metals removal from aqueous solutions.

Growth Angle - a Microscopic View

NASA Technical Reports Server (NTRS)

Mazurak, K.; Volz, M. P.; Croll, A.

2017-01-01

The growth angle that is formed between the side of the growing crystal and the melt meniscus is an important parameter in the detached Bridgman crystal growth method, where it determines the extent of the crystal-crucible wall gap, and in the Czochralski and float zone methods, where it influences the size and stability of the crystals. The growth angle is a non-equilibrium parameter, defined for the crystal growth process only. For a melt-crystal interface translating towards the crystal (melting), there is no specific angle defined between the melt and the sidewall of the solid. In this case, the corner at the triple line becomes rounded, and the angle between the sidewall and the incipience of meniscus can take a number of values, depending on the position of the triple line. In this work, a microscopic model is developed in which the fluid interacts with the solid surface through long range van der Waals or Casimir dispersive forces. This growth angle model is applied to Si and Ge and compared with the macroscopic approach of Herring. In the limit of a rounded corner with a large radius of curvature, the wetting of the melt on the crystal is defined by the contact angle. The proposed microscopic approach addresses the interesting issue of the transition from a contact angle to a growth angle as the radius of curvature decreases.

Age, gender, social contacts, and psychological distress: findings from the 45 and up study.

PubMed

Phongsavan, Philayrath; Grunseit, Anne C; Bauman, Adrian; Broom, Dorothy; Byles, Julie; Clarke, Judith; Redman, Sally; Nutbeam, Don

2013-09-01

The study examined the relationships between social contact types and psychological distress among mid-older adults. Self-completed data from 236,490 Australian adults aged 45+ years. There was a consistent relationship between increased frequency in phone contacts, social visits, and social group contacts and reduced risk of psychological distress adjusted for demographic and health factors. However, stratified analyses by age showed, with one exception, that no significant associations were found between social group contact frequency and risk of psychological distress for those aged 85 years and older. Furthermore, significant interaction terms revealed that women experience a steeper reduction in risk than men at age 65 to 74 years and 75 to 84 years compared with those aged 45 to 64 years. Social contacts have age and gender differential effects on psychological distress of mid-older Australian adults. Interventions addressing social interaction need to be sensitive to gender and age differences.

Single-cell dynamics of genome-nuclear lamina interactions.

PubMed

Kind, Jop; Pagie, Ludo; Ortabozkoyun, Havva; Boyle, Shelagh; de Vries, Sandra S; Janssen, Hans; Amendola, Mario; Nolen, Leisha D; Bickmore, Wendy A; van Steensel, Bas

2013-03-28

The nuclear lamina (NL) interacts with hundreds of large genomic regions termed lamina associated domains (LADs). The dynamics of these interactions and the relation to epigenetic modifications are poorly understood. We visualized the fate of LADs in single cells using a "molecular contact memory" approach. In each nucleus, only ~30% of LADs are positioned at the periphery; these LADs are in intermittent molecular contact with the NL but remain constrained to the periphery. Upon mitosis, LAD positioning is not detectably inherited but instead is stochastically reshuffled. Contact of individual LADs with the NL is linked to transcriptional repression and H3K9 dimethylation in single cells. Furthermore, we identify the H3K9 methyltransferase G9a as a regulator of NL contacts. Collectively, these results highlight principles of the dynamic spatial architecture of chromosomes in relation to gene regulation. Copyright © 2013 Elsevier Inc. All rights reserved.

Physical processes in wheel-rail contact and its implications on vehicle-track interaction

NASA Astrophysics Data System (ADS)

Six, K.; Meierhofer, A.; Müller, G.; Dietmaier, P.

2015-05-01

Friction within the wheel-rail contact highly influences all aspects of vehicle-track interaction. Models describing this frictional behaviour are of high relevance, for example, for reliable predictions on drive train dynamics. It has been shown by experiments, that the friction at a certain position on rail is not describable by only one number for the coefficient of friction. Beside the contact conditions (existence of liquids, solid third bodies, etc.) the vehicle speed, normal loading and contact geometry are further influencing factors. State-of-the-art models are not able to account for this sufficiently. Thus, an Extended-Creep-Force-Model was developed taking into account effects from third body layers. This model is able to describe all considered effects. In this way, a significant improvement of the prediction quality with respect to all aspects of vehicle-track interaction is expected.

Extended Bose-Hubbard model with dipolar and contact interactions

NASA Astrophysics Data System (ADS)

Biedroń, Krzysztof; Łącki, Mateusz; Zakrzewski, Jakub

2018-06-01

We study the phase diagram of the one-dimensional boson gas trapped inside an optical lattice with contact and dipolar interaction, taking into account next-nearest terms for both tunneling and interaction. Using the density-matrix renormalization group, we calculate how the locations of phase transitions change with increasing dipolar interaction strength for average density ρ =1 . Furthermore, we show the emergence of pair-correlated phases for a large dipolar interaction strength and ρ ≥2 , including a supersolid phase with an incommensurate density wave ordering manifesting the corresponding spontaneous breaking of the translational symmetry.

Changes of electrical conductivity of the metal surface layer by the laser alloying with foreign elements

NASA Astrophysics Data System (ADS)

Kostrubiec, Franciszek; Pawlak, Ryszard; Raczynski, Tomasz; Walczak, Maria

1994-09-01

Laser treatment of the surface of materials is of major importance for many fields technology. One of the latest and most significant methods of this treatment is laser alloying consisting of introducing foreign atoms into the metal surface layer during the reaction of laser radiation with the surface. This opens up vast possibilities for the modification of properties of such a layer (obtaining layers of increased microhardness, increased resistance to electroerosion in an electric arc, etc.). Conductivity of the material is a very important parameter in case of conductive materials used for electrical contacts. The paper presents the results of studies on change in electrical conductivity of the surface layer of metals alloyed with a laser. A comparative analysis of conductivity of base metal surface layers prior to and following laser treatment has been performed. Depending on the base metal and the alloying element, optical treatment parameters allowing a required change in the surface layer conductivity have been selected. A very important property of the contact material is its resistance to plastic strain. It affects the real value of contact surface coming into contact and, along with the material conductivity, determines contact resistance and the amount of heat generated in place of contact. These quantities are directly related to the initiation and the course of an arc discharge, hence they also affect resistance to electroerosion. The parameter that reflects plastic properties with loads concentrated on a small surface, as is the case with a reciprocal contact force of two real surfaces with their irregularities being in contact, is microhardness. In the paper, the results of investigations into microhardness of modified surface layers compared with base metal microhardness have been presented.

Waves, modes and properties with a major impact on dynamic pantograph-catenary interaction

NASA Astrophysics Data System (ADS)

Vo Van, Olivier; Massat, Jean-Pierre; Balmes, Etienne

2017-08-01

Understanding the dynamic behavior of the pantograph-catenary system is crucial for design improvement, but many factors influence the contact force, which is the main design objective. To give a proper understanding of dynamic characteristics, the paper uses a combination of mass drop tests on a catenary, analytic models and parametric finite element model simulations allowing a fine analysis of the influence of train speed. The first contributor to contact force variations is the geometry of the catenary under gravity loading. This parameter is however shown to be insufficient to explain higher frequency effects. The second contributor is the propagation of waves in the contact and messenger wires. The influence of wave dispersion is first demonstrated, which emphasizes the importance of considering the bending stiffness. Wave compensation by droppers and reflections at the mast are then shown to be important. Characteristic times associated with wave group velocities are finally used to explain the series of harmonic contributions visible in spectra in the catenary and pantograph frames. Finally, modes are shown to play a role particularly when their frequencies coincide with other contributions. The notion of mode groups, associated wave velocities and relevant design variables are discussed. Several observations pave the way for future work on catenary design.

Analytical insight into "breathing" crack-induced acoustic nonlinearity with an application to quantitative evaluation of contact cracks.

PubMed

Wang, Kai; Liu, Menglong; Su, Zhongqing; Yuan, Shenfang; Fan, Zheng

2018-08-01

To characterize fatigue cracks, in the undersized stage in particular, preferably in a quantitative and precise manner, a two-dimensional (2D) analytical model is developed for interpreting the modulation mechanism of a "breathing" crack on guided ultrasonic waves (GUWs). In conjunction with a modal decomposition method and a variational principle-based algorithm, the model is capable of analytically depicting the propagating and evanescent waves induced owing to the interaction of probing GUWs with a "breathing" crack, and further extracting linear and nonlinear wave features (e.g., reflection, transmission, mode conversion and contact acoustic nonlinearity (CAN)). With the model, a quantitative correlation between CAN embodied in acquired GUWs and crack parameters (e.g., location and severity) is obtained, whereby a set of damage indices is proposed via which the severity of the crack can be evaluated quantitatively. The evaluation, in principle, does not entail a benchmarking process against baseline signals. As validation, the results obtained from the analytical model are compared with those from finite element simulation, showing good consistency. This has demonstrated accuracy of the developed analytical model in interpreting contact crack-induced CAN, and spotlighted its application to quantitative evaluation of fatigue damage. Copyright © 2018 Elsevier B.V. All rights reserved.

Nanoscale wear as a stress-assisted chemical reaction

NASA Astrophysics Data System (ADS)

Jacobs, Tevis D. B.; Carpick, Robert W.

2013-02-01

Wear of sliding contacts leads to energy dissipation and device failure, resulting in massive economic and environmental costs. Typically, wear phenomena are described empirically, because physical and chemical interactions at sliding interfaces are not fully understood at any length scale. Fundamental insights from individual nanoscale contacts are crucial for understanding wear at larger length scales, and to enable reliable nanoscale devices, manufacturing and microscopy. Observable nanoscale wear mechanisms include fracture and plastic deformation, but recent experiments and models propose another mechanism: wear via atom-by-atom removal (`atomic attrition'), which can be modelled using stress-assisted chemical reaction kinetics. Experimental evidence for this has so far been inferential. Here, we quantitatively measure the wear of silicon--a material relevant to small-scale devices--using in situ transmission electron microscopy. We resolve worn volumes as small as 25 +/- 5 nm3, a factor of 103 lower than is achievable using alternative techniques. Wear of silicon against diamond is consistent with atomic attrition, and inconsistent with fracture or plastic deformation, as shown using direct imaging. The rate of atom removal depends exponentially on stress in the contact, as predicted by chemical rate kinetics. Measured activation parameters are consistent with an atom-by-atom process. These results, by direct observation, establish atomic attrition as the primary wear mechanism of silicon in vacuum at low loads.

Effects of structural parameters on fluid flow and mixing performance in a curved microchannel with gaps and baffles

NASA Astrophysics Data System (ADS)

Li, Jian; Xia, Guodong; Li, Yifan; Tian, Xinping

2013-07-01

We provide three-dimensional numerical simulations of mixing performance in a newly proposed micromixer with different structural parameters. The same amount of gaps and baffles are arranged along the curved channel within a certain distance. The effects of their structural parameters on mixing efficiency are presented, which include either the position and feature size of gaps and baffles, or the curvature radius of curved channel. The high efficiency mixing mechanism of the curved channel with gaps and baffles can attribute to the interaction of the increased contact area for premixed liquids, the jet and throttling effect over every unit of gap and baffle, the developing of the multidirectional vortices along the curved channel. The mixing index is sensitive to the width of the gaps and baffles for some Reynolds number ranges, but is not sensitive to the curvature radius of the curved channel. The characteristic of the pressure drop depending on Reynolds number is also investigated in order to keep an appropriate balance with mixing property.

Surface and capillary forces encountered by zinc sulfide microspheres in aqueous electrolyte.

PubMed

Gillies, Graeme; Kappl, Michael; Butt, Hans-Jürgen

2005-06-21

The colloid probe technique was used to investigate the interactions between individual zinc sulfide (ZnS) microspheres and an air bubble in electrolyte solution. Incorporation of zinc ions into the electrolyte solution overcomes the disproportionate zinc ion dissolution and mimics high-volume-fraction conditions common in flotation. Determined interaction forces revealed a distinct lack of long-ranged hydrophobic forces, indicated by the presence of a DLVO repulsion prior to particle engulfment. Single microsphere contact angles were determined from particle-bubble interactions. Contact angles increased with decreasing radii and with surface oxidation. Surface modification by the absorption of copper and subsequently potassium O-ethyldithiocarbonate (KED) reduced repulsive forces and strongly increased contact angles.

Master-slave robotic system for needle indentation and insertion.

PubMed

Shin, Jaehyun; Zhong, Yongmin; Gu, Chengfan

2017-12-01

Bilateral control of a master-slave robotic system is a challenging issue in robotic-assisted minimally invasive surgery. It requires the knowledge on contact interaction between a surgical (slave) robot and soft tissues. This paper presents a master-slave robotic system for needle indentation and insertion. This master-slave robotic system is able to characterize the contact interaction between the robotic needle and soft tissues. A bilateral controller is implemented using a linear motor for robotic needle indentation and insertion. A new nonlinear state observer is developed to online monitor the contact interaction with soft tissues. Experimental results demonstrate the efficacy of the proposed master-slave robotic system for robotic needle indentation and needle insertion.

Hierarchical organization of eglin c native state dynamics is shaped by competing direct and water-mediated interactions.

PubMed

Materese, Christopher Kroboth; Goldmon, Christa Charisse; Papoian, Garegin A

2008-08-05

The native state dynamics of the small globular serine protease inhibitor eglin c has been studied in a long 336 ns computer simulation in explicit solvent. We have elucidated the energy landscape explored during the course of the simulation by using Principal Component Analysis. We observe several basins in the energy landscape in which the system lingers for extended periods. Through an iterative process we have generated a tree-like hierarchy of states describing the observed dynamics. We observe a range of divergent contact types including salt bridges, hydrogen bonds, hydrophilic interactions, and hydrophobic interactions, pointing to the frustration between competing interactions. Additionally, we find evidence of competing water-mediated interactions. Divergence in water-mediated interactions may be found to supplement existing direct contacts, but they are also found to be independent of such changes. Water-mediated contacts facilitate interactions between residues of like charge as observed in the simulation. Our results provide insight into the complexity of the dynamic native state of a globular protein and directly probe the residual frustration in the native state.

Contingency planning for a deliberate release of smallpox in Great Britain--the role of geographical scale and contact structure.

PubMed

House, Thomas; Hall, Ian; Danon, Leon; Keeling, Matt J

2010-02-14

In the event of a release of a pathogen such as smallpox, which is human-to-human transmissible and has high associated mortality, a key question is how best to deploy containment and control strategies. Given the general uncertainty surrounding this issue, mathematical modelling has played an important role in informing the likely optimal response, in particular defining the conditions under which mass-vaccination would be appropriate. In this paper, we consider two key questions currently unanswered in the literature: firstly, what is the optimal spatial scale for intervention; and secondly, how sensitive are results to the modelling assumptions made about the pattern of human contacts? Here we develop a novel mathematical model for smallpox that incorporates both information on individual contact structure (which is important if the effects of contact tracing are to be captured accurately) and large-scale patterns of movement across a range of spatial scales in Great Britain. Analysis of this model confirms previous work suggesting that a locally targeted 'ring' vaccination strategy is optimal, and that this conclusion is actually quite robust for different socio-demographic and epidemiological assumptions. Our method allows for intuitive understanding of the reasons why national mass vaccination is typically predicted to be suboptimal. As such, we present a general framework for fast calculation of expected outcomes during the attempted control of diverse emerging infections; this is particularly important given that parameters would need to be interactively estimated and modelled in any release scenario.

Elucidation of electronic structure by the analysis of hyperfine interactions: The MnH A 7Π-X 7Sigma + (0,0) band

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1991-08-01

We present a complete analysis of the hyperfine structure of the MnH A 7Π-X 7Σ+ (0,0) band near 5680 Å, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the 55Mn (I=5/2) and 1H (I=1/2) nuclear spins are observed as well as 55Mn electric quadrupole effects. The manganese Fermi contact interaction in the X 7Σ+ state is the dominant contributor to the observed hyperfine splittings; the ΔF=0, ΔN=0, ΔJ=±1 matrix elements of this interaction mix the electron spin components of the ground state quite strongly at low N, destroying the ``goodness'' of J as a quantum number and inducing rotationally forbidden, ΔJ=±2 and ±3 transitions. The hyperfine splittings of over 50 rotational transitions covering all 7 spin components of both states were analyzed and fitted by least squares, allowing the accurate determination of 14 different hyperfine parameters. Using single electronic configurations to describe the A 7Π and X 7Σ+ states and Herman-Skillman atomic radial wave functions to represent the molecular orbitals, we calculated a priori values for the 55Mn and 1H hyperfine parameters which agree closely with experiment. We show that the five high-spin coupled Mn 3d electrons do not contribute to the manganese hyperfine structure but are responsible for the observed proton magnetic dipolar couplings. Furthermore, the results suggest that the Mn 3d electrons are not significantly involved in bonding and demonstrate that the molecular hyperfine interactions may be quantitatively understood using simple physical interpretations.

Characterizing Mobility and Contact Networks in Virtual Worlds

NASA Astrophysics Data System (ADS)

Machado, Felipe; Santos, Matheus; Almeida, Virgílio; Guedes, Dorgival

Virtual worlds have recently gained wide recognition as an important field of study in Computer Science. In this work we present an analysis of the mobility and interactions among characters in World of Warcraft (WoW) and Second Life based on the contact opportunities extracted from actual user data in each of those domains. We analyze character contacts in terms of their spatial and temporal characteristics, as well as the social network derived from such contacts. Our results show that the contacts observed may be more influenced by the nature of the interactions and goals of the users in each situation than by the intrinsic structure of such worlds. In particular, observations from a city in WoW are closer to those of Second Life than to other areas in WoW itself.

Matrix metalloproteinase-10/TIMP-2 structure and analyses define conserved core interactions and diverse exosite interactions in MMP/TIMP complexes.

PubMed

Batra, Jyotica; Soares, Alexei S; Mehner, Christine; Radisky, Evette S

2013-01-01

Matrix metalloproteinases (MMPs) play central roles in vertebrate tissue development, remodeling, and repair. The endogenous tissue inhibitors of metalloproteinases (TIMPs) regulate proteolytic activity by binding tightly to the MMP active site. While each of the four TIMPs can inhibit most MMPs, binding data reveal tremendous heterogeneity in affinities of different TIMP/MMP pairs, and the structural features that differentiate stronger from weaker complexes are poorly understood. Here we report the crystal structure of the comparatively weakly bound human MMP-10/TIMP-2 complex at 2.1 Å resolution. Comparison with previously reported structures of MMP-3/TIMP-1, MT1-MMP/TIMP-2, MMP-13/TIMP-2, and MMP-10/TIMP-1 complexes offers insights into the structural basis of binding selectivity. Our analyses identify a group of highly conserved contacts at the heart of MMP/TIMP complexes that define the conserved mechanism of inhibition, as well as a second category of diverse adventitious contacts at the periphery of the interfaces. The AB loop of the TIMP N-terminal domain and the contact loops of the TIMP C-terminal domain form highly variable peripheral contacts that can be considered as separate exosite interactions. In some complexes these exosite contacts are extensive, while in other complexes the AB loop or C-terminal domain contacts are greatly reduced and appear to contribute little to complex stability. Our data suggest that exosite interactions can enhance MMP/TIMP binding, although in the relatively weakly bound MMP-10/TIMP-2 complex they are not well optimized to do so. Formation of highly variable exosite interactions may provide a general mechanism by which TIMPs are fine-tuned for distinct regulatory roles in biology.

Nonlinear Multiscale Modeling of 3D Woven Fiber Composites under Ballistic Loading

DTIC Science & Technology

2013-07-11

contact parameters on the underlying damage processes is being studied and worked on. We further develop a material model suitable particularly for...of Material and Process Engineering. 2011/05/23 00:00:00, . : , TOTAL: 1 (d) Manuscripts Number of Peer-Reviewed Conference Proceeding publications...continuum damage mechanics suitable for polymer materials. The effect of contact parameters on the underlying damage processes is being studied and

"Core Knowledges": A Dissociation between Spatiotemporal Knowledge and Contact-Mechanics in a Non-Human Primate?

ERIC Educational Resources Information Center

Santos, Laurie R.

2004-01-01

Human toddlers demonstrate striking failures when searching for hidden objects that interact with other objects, yet successfully locate hidden objects that do not undergo mechanical interactions. This pattern hints at a developmental dissociation between contact-mechanical and spatiotemporal knowledge. Recent studies suggest that adult non-human…

Assessment of modifications in thickness, curvatures, and volume upon the cornea caused by disposable soft contact lens wear.

PubMed

Del Águila-Carrasco, Antonio J; Domínguez-Vicent, Alberto; Pérez-Vives, Cari; Ferrer-Blasco, Teresa; Montés-Micó, Robert

2015-01-01

To assess the effect of different disposable soft contact lenses on several corneal parameters-thickness, anterior and posterior curvature, and volume-by means of a Scheimpflug imaging-based device (Pentacam HR). Diurnal variations of these parameters were taken into account. Twenty-one young, healthy subjects wore 4 different types of daily disposable soft contact lenses on 4 different days: Dailies AquaComfort Plus, SofLens, Dailies Total1, and Acuvue TruEye. The lenses had different material and water content. Pachymetry and curvature maps and corneal volume values were obtained using the Pentacam HR twice a day: one before putting the lens on and one after an 8-hour period of contact lens wear. Measurements were also taken without any contact lenses being worn. Regarding corneal thickness, the lens with the most similar behavior to the naked eye scenario was the Dailies Total1, causing a thickening of 0.2 ± 0.1% in the central zone and 0.6 ± 0.2% in the periphery. All 4 lenses caused a slight but not significant flattening in the anterior corneal curvature, whereas the posterior corneal curvature only experienced a significant but small steepening with the SofLens. The use of these lenses increased corneal volume slightly. Variations in corneal parameters seem to depend on the type of contact lens used (material, oxygen transmissibility, water content). However, the magnitude of the changes introduced by the use of soft contact lenses over the 8-hour period was small and probably not large enough to influence either visual acuity or comfort.

Characterization technique for inhomogeneous 4H-SiC Schottky contacts: A practical model for high temperature behavior

NASA Astrophysics Data System (ADS)

Brezeanu, G.; Pristavu, G.; Draghici, F.; Badila, M.; Pascu, R.

2017-08-01

In this paper, a characterization technique for 4H-SiC Schottky diodes with varying levels of metal-semiconductor contact inhomogeneity is proposed. A macro-model, suitable for high-temperature evaluation of SiC Schottky contacts, with discrete barrier height non-uniformity, is introduced in order to determine the temperature interval and bias domain where electrical behavior of the devices can be described by the thermionic emission theory (has a quasi-ideal performance). A minimal set of parameters, the effective barrier height and peff, the non-uniformity factor, is associated. Model-extracted parameters are discussed in comparison with literature-reported results based on existing inhomogeneity approaches, in terms of complexity and physical relevance. Special consideration was given to models based on a Gaussian distribution of barrier heights on the contact surface. The proposed methodology is validated by electrical characterization of nickel silicide Schottky contacts on silicon carbide (4H-SiC), where a discrete barrier distribution can be considered. The same method is applied to inhomogeneous Pt/4H-SiC contacts. The forward characteristics measured at different temperatures are accurately reproduced using this inhomogeneous barrier model. A quasi-ideal behavior is identified for intervals spanning 200 °C for all measured Schottky samples, with Ni and Pt contact metals. A predictable exponential current-voltage variation over at least 2 orders of magnitude is also proven, with a stable barrier height and effective area for temperatures up to 400 °C. This application-oriented characterization technique is confirmed by using model parameters to fit a SiC-Schottky high temperature sensor's response.

An effective medium approach to predict the apparent contact angle of drops on super-hydrophobic randomly rough surfaces.

PubMed

Bottiglione, F; Carbone, G

2015-01-14

The apparent contact angle of large 2D drops with randomly rough self-affine profiles is numerically investigated. The numerical approach is based upon the assumption of large separation of length scales, i.e. it is assumed that the roughness length scales are much smaller than the drop size, thus making it possible to treat the problem through a mean-field like approach relying on the large-separation of scales. The apparent contact angle at equilibrium is calculated in all wetting regimes from full wetting (Wenzel state) to partial wetting (Cassie state). It was found that for very large values of the roughness Wenzel parameter (r(W) > -1/ cos θ(Y), where θ(Y) is the Young's contact angle), the interface approaches the perfect non-wetting condition and the apparent contact angle is almost equal to 180°. The results are compared with the case of roughness on one single scale (sinusoidal surface) and it is found that, given the same value of the Wenzel roughness parameter rW, the apparent contact angle is much larger for the case of a randomly rough surface, proving that the multi-scale character of randomly rough surfaces is a key factor to enhance superhydrophobicity. Moreover, it is shown that for millimetre-sized drops, the actual drop pressure at static equilibrium weakly affects the wetting regime, which instead seems to be dominated by the roughness parameter. For this reason a methodology to estimate the apparent contact angle is proposed, which relies only upon the micro-scale properties of the rough surface.

Mimicking the Interfacial Dynamics of Flowing White Blood Cells

NASA Astrophysics Data System (ADS)

Santore, Maria

2015-03-01

The rolling of particles on surfaces, facilitated by hydrodynamic forces combined with localized surface interactions of the appropriate strengths, spatial arrangements, and ranges, is a technologically useful means of transporting and manipulating particles. One's intuition for the rolling of a marble or a car tire cannot be extrapolated down to microparticle length scales because the microparticle interactions are dominated by electrostatic, van der Waals, and hydrogen bonding interactions rather than a friction that depends on an imposed normal force. Indeed, our microparticle rolling systems are inspired by the rolling of white blood cells on the inner walls of venules as part of the innate immune response: Selectin molecules engage with their counterparts on the opposing surfaces to slow cell motion relative to that for freely flowing cells. In the resulting rolling signature, ligand-receptor binding and crack closing on the front of the cell are balanced with molecular dis-bonding and crack opening at the rear. The contact region is relatively static, allowing other interactions (for instance signaling) to occur for a finite duration. Thus, achieving particle rolling in synthetic systems is important because it facilitates particle-surface interactions in a continuous nonfouling fashion where the contact surface is continually renewed. In developing a synthetic model for this system, we employ polymers to modify flowing particles and /or planar collectors, producing heterogeneous interfaces which can support rolling or produce other motion signatures such as skipping, arrest, or free flow. We identify, in the synthetic system, combinations of variables that produce rolling and demonstrate how the distinction between rolling and arrest is not a simple matter of the adhesion strength between the particles and the collector. Rolling is a cooperative process and the coordination of binding in one location with dis-bonding in another requires appropriate length scales in the design of the interface and in the processing parameters as well.

DEM modeling of ball mills with experimental validation: influence of contact parameters on charge motion and power draw

NASA Astrophysics Data System (ADS)

Boemer, Dominik; Ponthot, Jean-Philippe

2017-01-01

Discrete element method simulations of a 1:5-scale laboratory ball mill are presented in this paper to study the influence of the contact parameters on the charge motion and the power draw. The position density limit is introduced as an efficient mathematical tool to describe and to compare the macroscopic charge motion in different scenarios, i.a. with different values of the contact parameters. While the charge motion and the power draw are relatively insensitive to the stiffness and the damping coefficient of the linear spring-slider-damper contact law, the coefficient of friction has a strong influence since it controls the sliding propensity of the charge. Based on the experimental calibration and validation by charge motion photographs and power draw measurements, the descriptive and predictive capabilities of the position density limit and the discrete element method are demonstrated, i.e. the real position of the charge is precisely delimited by the respective position density limit and the power draw can be predicted with an accuracy of about 5 %.

Adsorption dynamics of CVD graphene investigated by a contactless microwave method

NASA Astrophysics Data System (ADS)

Black, N. C. G.; Rungger, I.; Li, B.; Maier, S. A.; Cohen, L. F.; Gallop, J. C.; Hao, L.

2018-07-01

We use a contactless microwave dielectric resonator gas sensing platform to study the adsorption dynamics of NO2 gas present in air onto a graphene surface. The use of microwaves removes the need for metal contacts that would otherwise be necessary for traditional conductivity measurements, and therefore allows non-invasive determination of NO2 concentrations to sub parts per million. As a result, gas‑metal interactions and localised graphene doping in the vicinity of metal contacts are eliminated, with the advantage that only graphene‑gas adsorbate interactions are responsible for the measured signal. We show that the sensor response for all considered concentrations can be described using a surface coverage dependent Langmuir model. We demonstrate that the possible variation of the NO2 binding energy, which is frequently considered as the main parameter, plays only a secondary role compared to the rising adsorption energy barrier with increasing NO2 coverage. The continuous distribution of the properties of the graphene adsorption sites used in the theoretical model is supported by our Kelvin probe and Raman surface analysis. Our results demonstrate that the non-invasive microwave method is a promising alternative platform for gas sensing. Moreover it provides valuable insights towards the understanding of the microscopic processes occurring in graphene based gas sensors, which is a key factor in the realization of reproducible and optimized device properties.

Control of plasma-liquid interaction of atmospheric DC glow discharge using liquid electrode

NASA Astrophysics Data System (ADS)

Shirai, Naoki; Aoki, Ryuta; Nito, Aihito; Aoki, Takuya; Uchida, Satoshi; Tochikubo, Fumiyoshi

2014-10-01

Atmospheric plasma in contact with liquid have a variety of interesting phenomena and applications. Previously, we investigated the fundamental characteristics of an atmospheric dc glow discharge using a liquid electrode with a miniature helium flow. We tried to control the plasma-liquid interaction by changing the plasma parameter such as gas species, liquid, and applied voltage. Sheath flow system enables another gas (N2, O2, Ar) flow to around the helium core flow. It can control the gas species around the discharge. When liquid (NaCl aq.) cathode DC discharge is generated, Na emission (588 nm) can be observed from liquid surface with increasing discharge current. Na emission strongly depends on the discharge current and liquid temperature. However, when Ar sheath flow is used, the intensity of Na becomes weak. When liquid anode DC discharge is generated, self-organized luminous pattern formation can be observed at the liquid surface. The pattern depends on existence of oxygen gas in gap. By changing the oxygen gas ratio in the gap, variety of pattern formation can be observed. The discharge in contact with liquid also can be used for synthesis of metal nanoparticles at plasma-liquid interface. Size and shape of nanoparticles depend on discharge gases. This work was supported financially in part by a Grant-in-Aid for Scientific Research on Innovative Areas (No 21110007) from MEXT, Japan.

Adhesion and Wetting of Soft Nanoparticles on Textured Surfaces: Transition between Wenzel and Cassie-Baxter States

DOE PAGES

Cao, Zhen; Stevens, Mark J.; Carrillo, Jan-Michael Y.; ...

2015-01-16

We use a combination of the molecular dynamics simulations and scaling analysis to study interactions between gel-like nanoparticles and substrates covered with rectangular shape posts. Our simulations have shown that nanoparticle in contact with substrate undergo first order transition between Wenzel and Cassie-Baxter state which location depends on nanoparticle shear modulus, the strength of nanoparticle-substrate interactions, height of the substrate posts and nanoparticle size, R p. There is a range of system parameters where these two states coexist such that the average indentation δ produced by substrate posts changes monotonically with nanoparticle shear modulus, G p. We have developed amore » scaling model that describes deformation of nanoparticle in contact with patterned substrate. In the framework of this model the effect of the patterned substrate can be taken into account by introducing an effective work of adhesion, W eff, which describes the first order transition between Wenzel and Cassie-Baxter states. There are two different shape deformation regimes for nanoparticles with shear modulus G p and surface tension γ p. Shape of small nanoparticles with size R p < γ p 3/2G p -1 W eff -1/2 is controlled by capillary forces while deformation of large nanoparticles, R p > γ p 3/2G p -1 W eff -1/2« less

Atomic force microscopy imaging of macromolecular complexes.

PubMed

Santos, Sergio; Billingsley, Daniel; Thomson, Neil

2013-01-01

This chapter reviews amplitude modulation (AM) AFM in air and its applications to high-resolution imaging and interpretation of macromolecular complexes. We discuss single DNA molecular imaging and DNA-protein interactions, such as those with topoisomerases and RNA polymerase. We show how relative humidity can have a major influence on resolution and contrast and how it can also affect conformational switching of supercoiled DNA. Four regimes of AFM tip-sample interaction in air are defined and described, and relate to water perturbation and/or intermittent mechanical contact of the tip with either the molecular sample or the surface. Precise control and understanding of the AFM operational parameters is shown to allow the user to switch between these different regimes: an interpretation of the origins of topographical contrast is given for each regime. Perpetual water contact is shown to lead to a high-resolution mode of operation, which we term SASS (small amplitude small set-point) imaging, and which maximizes resolution while greatly decreasing tip and sample wear and any noise due to perturbation of the surface water. Thus, this chapter provides sufficient information to reliably control the AFM in the AM AFM mode of operation in order to image both heterogeneous samples and single macromolecules including complexes, with high resolution and with reproducibility. A brief introduction to AFM, its versatility and applications to biology is also given while providing references to key work and general reviews in the field.

Surfactants have multi-fold effects on skin barrier function.

PubMed

Lemery, Emmanuelle; Briançon, Stéphanie; Chevalier, Yves; Oddos, Thierry; Gohier, Annie; Boyron, Olivier; Bolzinger, Marie-Alexandrine

2015-01-01

The stratum corneum (SC) is responsible for the barrier properties of the skin and the role of intercorneocyte skin lipids, particularly their structural organization, in controlling SC permeability is acknowledged. Upon contacting the skin, surfactants interact with the SC components leading to barrier damage. To improve knowledge of the effect of several classes of surfactant on skin barrier function at three different levels. The influence of treatments of human skin explants with six non-ionic and four ionic surfactant solutions on the physicochemical properties of skin was investigated. Skin surface wettability and polarity were assessed through contact angle measurements. Infrared spectroscopy allowed monitoring the SC lipid organization. The lipid extraction potency of surfactants was evaluated thanks to HPLC-ELSD assays. One anionic and one cationic surfactant increased the skin polarity by removing the sebaceous and epidermal lipids and by disturbing the organization of the lipid matrix. Another cationic surfactant displayed a detergency effect without disturbing the skin barrier. Several non-ionic surfactants disturbed the lipid matrix organization and modified the skin wettability without any extraction of the skin lipids. Finally two non-ionic surfactants did not show any effect on the investigated parameters or on the skin barrier. The polarity, the organization of the lipid matrix and the lipid composition of the skin allowed describing finely how surfactants can interact with the skin and disturb the skin barrier function.

Local cell metrics: a novel method for analysis of cell-cell interactions.

PubMed

Su, Jing; Zapata, Pedro J; Chen, Chien-Chiang; Meredith, J Carson

2009-10-23

The regulation of many cell functions is inherently linked to cell-cell contact interactions. However, effects of contact interactions among adherent cells can be difficult to detect with global summary statistics due to the localized nature and noise inherent to cell-cell interactions. The lack of informatics approaches specific for detecting cell-cell interactions is a limitation in the analysis of large sets of cell image data, including traditional and combinatorial or high-throughput studies. Here we introduce a novel histogram-based data analysis strategy, termed local cell metrics (LCMs), which addresses this shortcoming. The new LCM method is demonstrated via a study of contact inhibition of proliferation of MC3T3-E1 osteoblasts. We describe how LCMs can be used to quantify the local environment of cells and how LCMs are decomposed mathematically into metrics specific to each cell type in a culture, e.g., differently-labelled cells in fluorescence imaging. Using this approach, a quantitative, probabilistic description of the contact inhibition effects in MC3T3-E1 cultures has been achieved. We also show how LCMs are related to the naïve Bayes model. Namely, LCMs are Bayes class-conditional probability functions, suggesting their use for data mining and classification. LCMs are successful in robust detection of cell contact inhibition in situations where conventional global statistics fail to do so. The noise due to the random features of cell behavior was suppressed significantly as a result of the focus on local distances, providing sensitive detection of cell-cell contact effects. The methodology can be extended to any quantifiable feature that can be obtained from imaging of cell cultures or tissue samples, including optical, fluorescent, and confocal microscopy. This approach may prove useful in interpreting culture and histological data in fields where cell-cell interactions play a critical role in determining cell fate, e.g., cancer, developmental biology, and tissue regeneration.

Prediction of Contact Fatigue Life of Alloy Cast Steel Rolls Using Back-Propagation Neural Network

NASA Astrophysics Data System (ADS)

Jin, Huijin; Wu, Sujun; Peng, Yuncheng

2013-12-01

In this study, an artificial neural network (ANN) was employed to predict the contact fatigue life of alloy cast steel rolls (ACSRs) as a function of alloy composition, heat treatment parameters, and contact stress by utilizing the back-propagation algorithm. The ANN was trained and tested using experimental data and a very good performance of the neural network was achieved. The well-trained neural network was then adopted to predict the contact fatigue life of chromium alloyed cast steel rolls with different alloy compositions and heat treatment processes. The prediction results showed that the maximum value of contact fatigue life was obtained with quenching at 960 °C, tempering at 520 °C, and under the contact stress of 2355 MPa. The optimal alloy composition was C-0.54, Si-0.66, Mn-0.67, Cr-4.74, Mo-0.46, V-0.13, Ni-0.34, and Fe-balance (wt.%). Some explanations of the predicted results from the metallurgical viewpoints are given. A convenient and powerful method of optimizing alloy composition and heat treatment parameters of ACSRs has been developed.

Experimental characterization of electrochemically polymerized polycarbazole film and study of its behavior with different metals contacts

NASA Astrophysics Data System (ADS)

Srivastava, Aditi; Chakrabarti, P.

2017-12-01

In this paper, we present the method of fabrication, experimental characterization, and comparison of electrical parameters of semiconducting polycarbazole film with different rectifying metals contacts. Electrochemical polymerization and deposition of organic semiconductor, i.e., polycarbazole on ITO-coated glass substrate, were performed using an electrochemical workstation. Experimental characterization of the prepared polymer film was done in respect of morphology, absorption, bandgap, and thickness. The stability and electro-activity of polycarbazole film were verified by the cyclic voltammetric method. Study of the behavior of prepared polycarbazole film with the different metals contacts such as Aluminum, Copper, Tungsten, and Tin has been done using semiconductor device analyzer. Various electrical parameters such as barrier height, ideality factor, and reverse saturation current have been extracted with different metal contacts, and the values were compared and contrasted. The nature of I- V characteristic of polycarbazole film in non-contact mode has also been analyzed using scanning tunneling microscope. The rectifying I- V characteristics obtained with different metals contacts have also been validated by the simulation on Deckbuild platform of the of ATLAS® software tool from Silvaco Inc.

How tibiofemoral alignment and contact locations affect predictions of medial and lateral tibiofemoral contact forces.

PubMed

Lerner, Zachary F; DeMers, Matthew S; Delp, Scott L; Browning, Raymond C

2015-02-26

Understanding degeneration of biological and prosthetic knee joints requires knowledge of the in-vivo loading environment during activities of daily living. Musculoskeletal models can estimate medial/lateral tibiofemoral compartment contact forces, yet anthropometric differences between individuals make accurate predictions challenging. We developed a full-body OpenSim musculoskeletal model with a knee joint that incorporates subject-specific tibiofemoral alignment (i.e. knee varus-valgus) and geometry (i.e. contact locations). We tested the accuracy of our model and determined the importance of these subject-specific parameters by comparing estimated to measured medial and lateral contact forces during walking in an individual with an instrumented knee replacement and post-operative genu valgum (6°). The errors in the predictions of the first peak medial and lateral contact force were 12.4% and 11.9%, respectively, for a model with subject-specific tibiofemoral alignment and contact locations determined through radiographic analysis, vs. 63.1% and 42.0%, respectively, for a model with generic parameters. We found that each degree of tibiofemoral alignment deviation altered the first peak medial compartment contact force by 51N (r(2)=0.99), while each millimeter of medial-lateral translation of the compartment contact point locations altered the first peak medial compartment contact force by 41N (r(2)=0.99). The model, available at www.simtk.org/home/med-lat-knee/, enables the specification of subject-specific joint alignment and compartment contact locations to more accurately estimate medial and lateral tibiofemoral contact forces in individuals with non-neutral alignment. Copyright © 2015 Elsevier Ltd. All rights reserved.

How Tibiofemoral Alignment and Contact Locations Affect Predictions of Medial and Lateral Tibiofemoral Contact Forces

PubMed Central

Lerner, Zachary F.; DeMers, Matthew S.; Delp, Scott L.; Browning, Raymond C.

2015-01-01

Understanding degeneration of biological and prosthetic knee joints requires knowledge of the in-vivo loading environment during activities of daily living. Musculoskeletal models can estimate medial/lateral tibiofemoral compartment contact forces, yet anthropometric differences between individuals make accurate predictions challenging. We developed a full-body OpenSim musculoskeletal model with a knee joint that incorporates subject-specific tibiofemoral alignment (i.e. knee varus-valgus) and geometry (i.e. contact locations). We tested the accuracy of our model and determined the importance of these subject-specific parameters by comparing estimated to measured medial and lateral contact forces during walking in an individual with an instrumented knee replacement and post-operative genu valgum (6°). The errors in the predictions of the first peak medial and lateral contact force were 12.4% and 11.9%, respectively, for a model with subject-specific tibiofemoral alignment and contact locations determined via radiographic analysis, vs. 63.1% and 42.0%, respectively, for a model with generic parameters. We found that each degree of tibiofemoral alignment deviation altered the first peak medial compartment contact force by 51N (r2=0.99), while each millimeter of medial-lateral translation of the compartment contact point locations altered the first peak medial compartment contact force by 41N (r2=0.99). The model, available at www.simtk.org/home/med-lat-knee/, enables the specification of subject-specific joint alignment and compartment contact locations to more accurately estimate medial and lateral tibiofemoral contact forces in individuals with non-neutral alignment. PMID:25595425

Temperature Dependence of the Thermal Conductivity of a Trapped Dipolar Bose-Condensed Gas

NASA Astrophysics Data System (ADS)

Yavari, H.

2018-02-01

The thermal conductivity of a trapped dipolar Bose condensed gas is calculated as a function of temperature in the framework of linear response theory. The contributions of the interactions between condensed and noncondensed atoms and between noncondensed atoms in the presence of both contact and dipole-dipole interactions are taken into account to the thermal relaxation time, by evaluating the self-energies of the system in the Beliaev approximation. We will show that above the Bose-Einstein condensation temperature ( T > T BEC ) in the absence of dipole-dipole interaction, the temperature dependence of the thermal conductivity reduces to that of an ideal Bose gas. In a trapped Bose-condensed gas for temperature interval k B T << n 0 g B , E p << k B T ( n 0 is the condensed density and g B is the strength of the contact interaction), the relaxation rates due to dipolar and contact interactions between condensed and noncondensed atoms change as {τ}_{dd12}^{-1}∝ {e}^{-E/{k}_BT} and τ c12 ∝ T -5, respectively, and the contact interaction plays the dominant role in the temperature dependence of the thermal conductivity, which leads to the T -3 behavior of the thermal conductivity. In the low-temperature limit, k B T << n 0 g B , E p >> k B T, since the relaxation rate {τ}_{c12}^{-1} is independent of temperature and the relaxation rate due to dipolar interaction goes to zero exponentially, the T 2 temperature behavior for the thermal conductivity comes from the thermal mean velocity of the particles. We will also show that in the high-temperature limit ( k B T > n 0 g B ) and low momenta, the relaxation rates {τ}_{c12}^{-1} and {τ}_{dd12}^{-1} change linearly with temperature for both dipolar and contact interactions and the thermal conductivity scales linearly with temperature.

Problems of the theory of superconductivity which involve spatial inhomogeneity

NASA Astrophysics Data System (ADS)

Svidzinskii, A. V.

This book is concerned with questions which are related to equilibrium phenomena in superconductors, giving particular attention to effects determined by a spatial variation of the order parameter. The microscopic theory of superconductivity is developed on the basis of a model which takes into account the direct interaction between electrons. The theory of current relations in superconductors is discussed, taking into consideration the magnetic properties of superconductors in weak fields and the Meissner effect. Aspects regarding the general theory of tunneling are also explored, including the Josephson effect. An investigation is conducted of the theory of current conditions in areas in which the superconductor is in contact with normally conducting metal.

Spermatozoa scattering by a microchannel feature: an elastohydrodynamic model

PubMed Central

Montenegro-Johnson, T. D.; Gadêlha, H.; Smith, D. J.

2015-01-01

Sperm traverse their microenvironment through viscous fluid by propagating flagellar waves; the waveform emerges as a consequence of elastic structure, internal active moments and low Reynolds number fluid dynamics. Engineered microchannels have recently been proposed as a method of sorting and manipulating motile cells; the interaction of cells with these artificial environments therefore warrants investigation. A numerical method is presented for large-amplitude elastohydrodynamic interaction of active swimmers with domain features. This method is employed to examine hydrodynamic scattering by a model microchannel backstep feature. Scattering is shown to depend on backstep height and the relative strength of viscous and elastic forces in the flagellum. In a ‘high viscosity’ parameter regime corresponding to human sperm in cervical mucus analogue, this hydrodynamic contribution to scattering is comparable in magnitude to recent data on contact effects, being of the order of 5°–10°. Scattering can be positive or negative depending on the relative strength of viscous and elastic effects, emphasizing the importance of viscosity on the interaction of sperm with their microenvironment. The modulation of scattering angle by viscosity is associated with variations in flagellar asymmetry induced by the elastohydrodynamic interaction with the boundary feature. PMID:26064617

Cellular Particle Dynamics simulation of biomechanical relaxation processes of multi-cellular systems

NASA Astrophysics Data System (ADS)

McCune, Matthew; Kosztin, Ioan

2013-03-01

Cellular Particle Dynamics (CPD) is a theoretical-computational-experimental framework for describing and predicting the time evolution of biomechanical relaxation processes of multi-cellular systems, such as fusion, sorting and compression. In CPD, cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through numerical integration of their equations of motion. Here we present CPD simulation results for the fusion of both spherical and cylindrical multi-cellular aggregates. First, we calibrate the relevant CPD model parameters for a given cell type by comparing the CPD simulation results for the fusion of two spherical aggregates to the corresponding experimental results. Next, CPD simulations are used to predict the time evolution of the fusion of cylindrical aggregates. The latter is relevant for the formation of tubular multi-cellular structures (i.e., primitive blood vessels) created by the novel bioprinting technology. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

A comparison of Coulomb and pseudo-Coulomb friction implementations: Application to the table contact phase of gymnastics vaulting.

PubMed

Jackson, M I; Hiley, M J; Yeadon, M R

2011-10-13

In the table contact phase of gymnastics vaulting both dynamic and static friction act. The purpose of this study was to develop a method of simulating Coulomb friction that incorporated both dynamic and static phases and to compare the results with those obtained using a pseudo-Coulomb implementation of friction when applied to the table contact phase of gymnastics vaulting. Kinematic data were obtained from an elite level gymnast performing handspring straight somersault vaults using a Vicon optoelectronic motion capture system. An angle-driven computer model of vaulting that simulated the interaction between a seven segment gymnast and a single segment vaulting table during the table contact phase of the vault was developed. Both dynamic and static friction were incorporated within the model by switching between two implementations of the tangential frictional force. Two vaulting trials were used to determine the model parameters using a genetic algorithm to match simulations to recorded performances. A third independent trial was used to evaluate the model and close agreement was found between the simulation and the recorded performance with an overall difference of 13.5%. The two-state simulation model was found to be capable of replicating performance at take-off and also of replicating key contact phase features such as the normal and tangential motion of the hands. The results of the two-state model were compared to those using a pseudo-Coulomb friction implementation within the simulation model. The two-state model achieved similar overall results to those of the pseudo-Coulomb model but obtained solutions more rapidly. Copyright © 2011 Elsevier Ltd. All rights reserved.

Exclusion processes: Short-range correlations induced by adhesion and contact interactions

NASA Astrophysics Data System (ADS)

Ascolani, Gianluca; Badoual, Mathilde; Deroulers, Christophe

2013-01-01

We analyze the out-of-equilibrium behavior of exclusion processes where agents interact with their nearest neighbors, and we study the short-range correlations which develop because of the exclusion and other contact interactions. The form of interactions we focus on, including adhesion and contact-preserving interactions, is especially relevant for migration processes of living cells. We show the local agent density and nearest-neighbor two-point correlations resulting from simulations on two-dimensional lattices in the transient regime where agents invade an initially empty space from a source and in the stationary regime between a source and a sink. We compare the results of simulations with the corresponding quantities derived from the master equation of the exclusion processes, and in both cases, we show that, during the invasion of space by agents, a wave of correlations travels with velocity v(t)˜t-1/2. The relative placement of this wave to the agent density front and the time dependence of its height may be used to discriminate between different forms of contact interactions or to quantitatively estimate the intensity of interactions. We discuss, in the stationary density profile between a full and an empty reservoir of agents, the presence of a discontinuity close to the empty reservoir. Then we develop a method for deriving approximate hydrodynamic limits of the processes. From the resulting systems of partial differential equations, we recover the self-similar behavior of the agent density and correlations during space invasion.

Contact pair dynamics during folding of two small proteins: Chicken villin head piece and the Alzheimer protein β-amyloid

NASA Astrophysics Data System (ADS)

Mukherjee, Arnab; Bagchi, Biman

2004-01-01

The folding of an extended protein to its unique native state requires establishment of specific, predetermined, often distant, contacts between amino acid residue pairs. The dynamics of contact pair formation between various hydrophobic residues during folding of two different small proteins, the chicken villin head piece (HP-36) and the Alzheimer protein β-amyloid (βA-40), are investigated by Brownian dynamics (BD) simulations. These two proteins represent two very different classes—HP-36 being globular while βA-40 is nonglobular, stringlike. Hydropathy scale and nonlocal helix propensity of amino acids are used to model the complex interaction potential among the various amino acid residues. The minimalistic model we use here employs a connected backbone chain of atoms of equal size while an amino acid is attached to each backbone atom as an additional atom of differing sizes and interaction parameters, determined by the characteristics of each amino acid. Even for such simple models, we find that the low-energy structures obtained by BD simulations of both the model proteins mimic the native state of the real protein rather well, with a best root-mean-square deviation of 4.5 Å for HP-36. For βA-40 (where a single well-defined structure is not available), the simulated structures resemble the reported ensemble rather well, with the well-known β-bend correctly reproduced. We introduce and calculate a contact pair distance time correlation function, CPij(t), to quantify the dynamical evolution of the pair contact formation between the amino acid residue pairs i and j. The contact pair time correlation function exhibits multistage dynamics, including a two stage fast collapse, followed by a slow (microsecond long) late stage dynamics for several specific pairs. The slow late stage dynamics is in accordance with the findings of Sali et al. [A. Sali, E. Shakhnovich, and M. Karplus, Nature 369, 248 (1994)]. Analysis of the individual trajectories shows that the slow decay is due to the attempt of the protein to form energetically more favorable pair contacts to replace the less favorable ones. This late stage contact formation is a highly cooperative process, involving participation of several pairs and thus entropically unfavorable and expected to face a large free energy barrier. This is because any new pair contact formation among hydrophobic pairs will require breaking of several contacts, before the favorable ones can be formed. This aspect of protein folding dynamics is similar to relaxation in glassy liquids, where also α relaxation requires highly cooperative process of hopping. The present analysis suggests that waiting time for the necessary pair contact formation may obey the Poissonian distribution. We also study the dynamics of Förster energy transfer during folding between two tagged amino acid pairs. This dynamics can be studied by fluorescence resonance energy transfer (FRET). It is found that suitably placed donor-acceptor pairs can capture the slow dynamics during folding. The dynamics probed by FRET is predicted to be nonexponential.

Development of lithium diffused radiation resistant solar cells, part 2

NASA Technical Reports Server (NTRS)

Payne, P. R.; Somberg, H.

1971-01-01

The work performed to investigate the effect of various process parameters on the performance of lithium doped P/N solar cells is described. Effort was concentrated in four main areas: (1) the starting material, (2) the boron diffusion, (3) the lithium diffusion, and (4) the contact system. Investigation of starting material primarily involved comparison of crucible grown silicon (high oxygen content) and Lopex silicon (low oxygen content). In addition, the effect of varying growing parameters of crucible grown silicon on lithium cell output was also examined. The objective of the boron diffusion studies was to obtain a diffusion process which produced high efficiency cells with minimal silicon stressing and could be scaled up to process 100 or more cells per diffusion. Contact studies included investigating sintering of the TiAg contacts and evaluation of the contact integrity.

Phonological Aspects of Language Contact along the Slavic Periphery: An Ecological Approach

ERIC Educational Resources Information Center

Dombrowski, Andrew

2013-01-01

This dissertation is focused on analyzing phonological contact between Slavic and non-Slavic languages in southeastern and northeastern Europe, with the particular goal of describing how the social context of language contact interacts with linguistic factors to shape the outcome of contact-induced change. On the basis of case studies drawn from…

Nonlinear dynamics of planetary gears using analytical and finite element models

NASA Astrophysics Data System (ADS)

Ambarisha, Vijaya Kumar; Parker, Robert G.

2007-05-01

Vibration-induced gear noise and dynamic loads remain key concerns in many transmission applications that use planetary gears. Tooth separations at large vibrations introduce nonlinearity in geared systems. The present work examines the complex, nonlinear dynamic behavior of spur planetary gears using two models: (i) a lumped-parameter model, and (ii) a finite element model. The two-dimensional (2D) lumped-parameter model represents the gears as lumped inertias, the gear meshes as nonlinear springs with tooth contact loss and periodically varying stiffness due to changing tooth contact conditions, and the supports as linear springs. The 2D finite element model is developed from a unique finite element-contact analysis solver specialized for gear dynamics. Mesh stiffness variation excitation, corner contact, and gear tooth contact loss are all intrinsically considered in the finite element analysis. The dynamics of planetary gears show a rich spectrum of nonlinear phenomena. Nonlinear jumps, chaotic motions, and period-doubling bifurcations occur when the mesh frequency or any of its higher harmonics are near a natural frequency of the system. Responses from the dynamic analysis using analytical and finite element models are successfully compared qualitatively and quantitatively. These comparisons validate the effectiveness of the lumped-parameter model to simulate the dynamics of planetary gears. Mesh phasing rules to suppress rotational and translational vibrations in planetary gears are valid even when nonlinearity from tooth contact loss occurs. These mesh phasing rules, however, are not valid in the chaotic and period-doubling regions.

Micromechanics of Ultrafine Particle Adhesion—Contact Models

NASA Astrophysics Data System (ADS)

Tomas, Jürgen

2009-06-01

Ultrafine, dry, cohesive and compressible powders (particle diameter d<10 μm) show a wide variety of flow problems that cause insufficient apparatus and system reliability of processing plants. Thus, the understanding of the micromechanics of particle adhesion is essential to assess the product quality and to improve the process performance in particle technology. Comprehensive models are shown that describe the elastic-plastic force-displacement and frictional moment-angle behavior of adhesive contacts of isotropic smooth spheres. By the model stiff particles with soft contacts, a sphere-sphere interaction of van der Waals forces without any contact deformation describes the stiff attractive term. But, the soft micro-contact response generates a flattened contact, i.e. plate-plate interaction, and increasing adhesion. These increasing adhesion forces between particles directly depend on this frozen irreversible deformation. Thus, the adhesion force is found to be load dependent. It contributes to the tangential forces in an elastic-plastic frictional contact with partially sticking and micro-slip within the contact plane. The load dependent rolling resistance and torque of mobilized frictional contact rotation (spin around its principal axis) are also shown. This reasonable combination of particle contact micromechanics and powder continuum mechanics is used to model analytically the macroscopic friction limits of incipient powder consolidation, yield and cohesive steady-state shear flow on physical basis.

Dynamic contact network between ribosomal subunits enables rapid large-scale rotation during spontaneous translocation

PubMed Central

Bock, Lars V.; Blau, Christian; Vaiana, Andrea C.; Grubmüller, Helmut

2015-01-01

During ribosomal translation, the two ribosomal subunits remain associated through intersubunit bridges, despite rapid large-scale intersubunit rotation. The absence of large barriers hindering rotation is a prerequisite for rapid rotation. Here, we investigate how such a flat free-energy landscape is achieved, in particular considering the large shifts the bridges undergo at the periphery. The dynamics and energetics of the intersubunit contact network are studied using molecular dynamics simulations of the prokaryotic ribosome in intermediate states of spontaneous translocation. Based on observed occupancies of intersubunit contacts, residues were grouped into clusters. In addition to the central contact clusters, peripheral clusters were found to maintain strong steady interactions by changing contacts in the course of rotation. The peripheral B1 bridges are stabilized by a changing contact pattern of charged residues that adapts to the rotational state. In contrast, steady strong interactions of the B4 bridge are ensured by the flexible helix H34 following the movement of protein S15. The tRNAs which span the subunits contribute to the intersubunit binding enthalpy to an almost constant degree, despite their different positions in the ribosome. These mechanisms keep the intersubunit interaction strong and steady during rotation, thereby preventing dissociation and enabling rapid rotation. PMID:26109353

Contact dynamic phenomena in rotating machines: Active/passive considerations

NASA Astrophysics Data System (ADS)

Keogh, Patrick S.

2012-05-01

There are machine operating regimes in which rotor/stator interactions may lead to problematic rotor dynamic behavior. For example, dynamic heat sources arising from seals, bearings and other rubbing stator components may cause rotor thermal bend instability. In active magnetic bearing (AMB) systems, the rotor may experience forward and backward whirl rubs with touchdown bearings (TDBs). In abnormal cases, rotor transient and bounce interactions with such bearings may involve highly localized and short duration contacts. This paper discusses certain contact phenomena that may occur in passive and active systems. For example, the rub induced spiral behavior arises from a combination of unbalance and a thermal input that moves slowly around the rotor, typically in passive rotor-bearing systems. However, the instability can be regarded as if arising from a closed-loop feedback system. Hence it is possible to analyze the phenomenon using techniques that have been developed for active control systems. Rotors levitated by AMBs are truly active, but there are fundamental issues that may arise when contact with TDBs occurs. AMB control and contact interactions are discussed together with the benefits for making the TDB an active element. The reason for this lies in the potential ability to control the contact dynamics and associated mechanical and thermal stresses. A prototype system is described.

Titania nanotube arrays as interfaces for blood-contacting implantable devices: a study evaluating the nanotopography-associated activation and expression of blood plasma components.

PubMed

Smith, Barbara S; Popat, Ketul C

2012-08-01

The constant exposure of implantable biomaterials such as titanium and titanium alloys to blood-introducesserious and ongoing concerns regarding poor blood-material interactions. To date, all blood-contacting materials have been shown to initiate immunological events in the form of inflammation, thrombosis, fibrosis and infection; potentially leading to complete implant failure. Material surfaces that provide biomimetic cues such as nanoscale architectures have been shown to elicit improved cellular interaction; and thus, may provide possible solutions for enhancing blood-compatibility. However, limited information exists about the thrombogenicityof nanoscalesurface architectures. In this study, we have evaluated the efficacy of titania nanotube arrays as interfaces for blood contacting devices by investigating the thrombogenic effects using whole blood plasma. Thus, platelet/leukocyte adhesion, activation and interaction, morphology, complement activation, contact activation, platelet release reaction, fibrinogen expression and material cytotoxicity were evaluated to determine the in vitro thrombogenicity. The results presented here indicate a decrease in thrombogenic effects of titania nanotube arrays as compared to biomedical grade titanium after 2 hours of contact with whole blood plasma. This work shows the improved blood-compatibility of titania nanotube arrays, identifying this specific nanoarchitecture as a potentially optimal interface for promoting the long-term success of blood contacting biomaterials.

Quasi-one-dimensional spin-orbit- and Rabi-coupled bright dipolar Bose-Einstein-condensate solitons

NASA Astrophysics Data System (ADS)

Chiquillo, Emerson

2018-01-01

We study the formation of stable bright solitons in quasi-one-dimensional (quasi-1D) spin-orbit- (SO-) and Rabi-coupled two pseudospinor dipolar Bose-Einstein condensates (BECs) of 164Dy atoms in the presence of repulsive contact interactions. As a result of the combined attraction-repulsion effect of both interactions and the addition of SO and Rabi couplings, two kinds of ground states in the form of self-trapped bright solitons can be formed, a plane-wave soliton (PWS) and a stripe soliton (SS). These quasi-1D solitons cannot exist in a condensate with purely repulsive contact interactions and SO and Rabi couplings (no dipole). Neglecting the repulsive contact interactions, our findings also show the possibility of creating PWSs and SSs. When the strengths of the two interactions are close to each other, the SS develops an oscillatory instability indicating a possibility of a breather solution, eventually leading to its destruction. We also obtain a phase diagram showing regions where the solution is a PWS or SS.

Metal-graphene heterojunction modulation via H{sub 2} interaction

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

Cadore, A. R., E-mail: alissoncadore@gmail.com, E-mail: lccampos@fisica.ufmg.br; Mania, E.; Lacerda, R. G.

2016-07-18

Combining experiment and theory, we investigate how a naturally created heterojunction (pn junction) at a graphene and metallic contact interface is modulated via interaction with molecular hydrogen (H{sub 2}). Due to an electrostatic interaction, metallic electrodes induce pn junctions in graphene, leading to an asymmetrical resistance in electronic transport for electrons and holes. We report that the asymmetry in the resistance can be tuned in a reversible manner by exposing graphene devices to H{sub 2}. The interaction between the H{sub 2} and graphene occurs solely at the graphene-contact pn junction and induces a modification on the electrostatic interaction between graphenemore » and metallic contacts. We explain the experimental data with theory providing information concerning the length of the heterojunction and how it changes as a function of H{sub 2} adsorption. Our results are valuable for understanding the nature of the metal-graphene interfaces and have potential application for selective sensors of molecular hydrogen.« less

Suppressing bacterial interaction with copper surfaces through graphene and hexagonal-boron nitride coatings.

PubMed

Parra, Carolina; Montero-Silva, Francisco; Henríquez, Ricardo; Flores, Marcos; Garín, Carolina; Ramírez, Cristian; Moreno, Macarena; Correa, Jonathan; Seeger, Michael; Häberle, Patricio

2015-04-01

Understanding biological interaction with graphene and hexagonal-boron nitride (h-BN) membranes has become essential for the incorporation of these unique materials in contact with living organisms. Previous reports show contradictions regarding the bacterial interaction with graphene sheets on metals. Here, we present a comprehensive study of the interaction of bacteria with copper substrates coated with single-layer graphene and h-BN. Our results demonstrate that such graphitic coatings substantially suppress interaction between bacteria and underlying Cu substrates, acting as an effective barrier to prevent physical contact. Bacteria do not "feel" the strong antibacterial effect of Cu, and the substrate does not suffer biocorrosion due to bacteria contact. Effectiveness of these systems as barriers can be understood in terms of graphene and h-BN impermeability to transfer Cu(2+) ions, even when graphene and h-BN domain boundary defects are present. Our results seem to indicate that as-grown graphene and h-BN films could successfully protect metals, preventing their corrosion in biological and medical applications.

Unlocking the secrets to protein–protein interface drug targets using structural mass spectrometry techniques

PubMed Central

Dailing, Angela; Luchini, Alessandra; Liotta, Lance

2016-01-01

Protein–protein interactions (PPIs) drive all biologic systems at the subcellular and extracellular level. Changes in the specificity and affinity of these interactions can lead to cellular malfunctions and disease. Consequently, the binding interfaces between interacting protein partners are important drug targets for the next generation of therapies that block such interactions. Unfortunately, protein–protein contact points have proven to be very difficult pharmacological targets because they are hidden within complex 3D interfaces. For the vast majority of characterized binary PPIs, the specific amino acid sequence of their close contact regions remains unknown. There has been an important need for an experimental technology that can rapidly reveal the functionally important contact points of native protein complexes in solution. In this review, experimental techniques employing mass spectrometry to explore protein interaction binding sites are discussed. Hydrogen–deuterium exchange, hydroxyl radical footprinting, crosslinking and the newest technology protein painting, are compared and contrasted. PMID:26400464

Elastohydrodynamic lubrication of point contacts. Ph.D. Thesis - Leeds Univ.

NASA Technical Reports Server (NTRS)

Hamrock, B. J.

1976-01-01

A procedure for the numerical solution of the complete, isothermal, elastohydrodynamic lubrication problem for point contacts is given. This procedure calls for the simultaneous solution of the elasticity and Reynolds equations. By using this theory the influence of the ellipticity parameter and the dimensionless speed, load, and material parameters on the minimum and central film thicknesses was investigated. Thirty-four different cases were used in obtaining the fully flooded minimum- and central-film-thickness formulas. Lubricant starvation was also studied. From the results it was possible to express the minimum film thickness for a starved condition in terms of the minimum film thickness for a fully flooded condition, the speed parameter, and the inlet distance. Fifteen additional cases plus three fully flooded cases were used in obtaining this formula. Contour plots of pressure and film thickness in and around the contact have been presented for both fully flooded and starved lubrication conditions.

Antagonist effects of calcium on borosilicate glass alteration

NASA Astrophysics Data System (ADS)

Mercado-Depierre, S.; Angeli, F.; Frizon, F.; Gin, S.

2013-10-01

Numerous studies have been conducted on glass and cement durability in contact with water, but very little work to date has focused directly on interactions between the two materials. These interactions are mostly controlled by silicon-calcium reactivity. However, the physical and chemical processes involved remain insufficiently understood to predict the evolution of coupled glass-cement systems used in several industrial applications. Results are reported from borosilicate glass alteration in calcium-rich solutions. Our data show that four distinct behaviors can be expected according to the relative importance of three key parameters: the pH, the reaction progress (short- or long-term alteration) and the calcium concentration. Glass alteration is thus controlled by specific mechanisms depending on the solution chemistry: calcium complexation at the glass surface, precipitation of calcium silicate hydrates (C-S-H) or calcium incorporation in the altered layer. These findings highlight the impact of silicon-calcium interactions on glass durability and open the way for a better understanding of glass-cement mixing in civil engineering applications as well as in nuclear waste storage.

Relationships between surface free energy, surface texture parameters and controlled drug release in hydrophilic matrices.

PubMed

Saurí, J; Suñé-Negre, J M; Díaz-Marcos, J; Vilana, J; Millán, D; Ticó, J R; Miñarro, M; Pérez-Lozano, P; García-Montoya, E

2015-01-15

The study of controlled release and drug release devices has been dominated by considerations of the bulk or average properties of material or devices. Yet the outermost surface atoms play a central role in their performance. The objective of this article has been to characterize the surface of hydrophilic matrix tablets using the contact angle (CA) method to ascertain the surface free energy, and atomic force microscopy (AFM) and confocal microscopy (CM) for the physical characterization of the surface of the hydrophilic matrix. The surface free energy results obtained show that hydroxypropylmethylcellulose K15M hinders the spreading of water on the surface of the tablet, such that the concentration of HPMC K15M increases the reaction rate of the hydrophobic interactions between the chains of HPMC K15M which increases with respect to the rate of penetration of water into the tablet. In this study, we developed a new method to characterize the swelling of the tablets and established a relationship between the new method based on microswelling and the swelling ratio parameter. The surface texture parameters have been determined and the morphology of the tablets of the different formulations and the evolution of the surface morphology after interacting with the water, swelling and forming a gel layer were characterized. This work represents significant progress in the characterization of matrix tablets. Copyright © 2014 Elsevier B.V. All rights reserved.

Insilico study of the A(2A)R-D (2)R kinetics and interfacial contact surface for heteromerization.

PubMed

Prakash, Amresh; Luthra, Pratibha Mehta

2012-10-01

G-protein-coupled receptors (GPCRs) are cell surface receptors. The dynamic property of receptor-receptor interactions in GPCRs modulates the kinetics of G-protein signaling and stability. In the present work, the structural and dynamic study of A(2A)R-D(2)R interactions was carried to acquire the understanding of the A(2A)R-D(2)R receptor activation and deactivation process, facilitating the design of novel drugs and therapeutic target for Parkinson's disease. The structure-based features (Alpha, Beta, SurfAlpha, and SurfBeta; GapIndex, Leakiness and Gap Volume) and slow mode model (ENM) facilitated the prediction of kinetics (K (off), K (on), and K (d)) of A(2A)R-D(2)R interactions. The results demonstrated the correlation coefficient 0.294 for K (d) and K (on) and the correlation coefficient 0.635 for K (d) and K (off), and indicated stable interfacial contacts in the formation of heterodimer. The coulombic interaction involving the C-terminal tails of the A(2A)R and intracellular loops (ICLs) of D(2)R led to the formation of interfacial contacts between A(2A)R-D(2)R. The properties of structural dynamics, ENM and KFC server-based hot-spot analysis illustrated the stoichiometry of A(2A)R-D(2)R contact interfaces as dimer. The propensity of amino acid residues involved in A(2A)R-D(2)R interaction revealed the presence of positively (R, H and K) and negatively (E and D) charged structural motif of TMs and ICL3 of A(2A)R and D(2)R at interface of dimer contact. Essentially, in silico structural and dynamic study of A(2A)R-D(2)R interactions will provide the basic understanding of the A(2A)R-D(2)R interfacial contact surface for activation and deactivation processes, and could be used as constructive model to recognize the protein-protein interactions in receptor assimilations.

Gait parameter control timing with dynamic manual contact or visual cues.

PubMed

Rabin, Ely; Shi, Peter; Werner, William

2016-06-01

We investigated the timing of gait parameter changes (stride length, peak toe velocity, and double-, single-support, and complete step duration) to control gait speed. Eleven healthy participants adjusted their gait speed on a treadmill to maintain a constant distance between them and a fore-aft oscillating cue (a place on a conveyor belt surface). The experimental design balanced conditions of cue modality (vision: eyes-open; manual contact: eyes-closed while touching the cue); treadmill speed (0.2, 0.4, 0.85, and 1.3 m/s); and cue motion (none, ±10 cm at 0.09, 0.11, and 0.18 Hz). Correlation analyses revealed a number of temporal relationships between gait parameters and cue speed. The results suggest that neural control ranged from feedforward to feedback. Specifically, step length preceded cue velocity during double-support duration suggesting anticipatory control. Peak toe velocity nearly coincided with its most-correlated cue velocity during single-support duration. The toe-off concluding step and double-support durations followed their most-correlated cue velocity, suggesting feedback control. Cue-tracking accuracy and cue velocity correlations with timing parameters were higher with the manual contact cue than visual cue. The cue/gait timing relationships generalized across cue modalities, albeit with greater delays of step-cycle events relative to manual contact cue velocity. We conclude that individual kinematic parameters of gait are controlled to achieve a desired velocity at different specific times during the gait cycle. The overall timing pattern of instantaneous cue velocities associated with different gait parameters is conserved across cues that afford different performance accuracies. This timing pattern may be temporally shifted to optimize control. Different cue/gait parameter latencies in our nonadaptation paradigm provide general-case evidence of the independent control of gait parameters previously demonstrated in gait adaptation paradigms. Copyright © 2016 the American Physiological Society.

The fragility of intergroup relations: divergent effects of delayed audiovisual feedback in intergroup and intragroup interaction.

PubMed

Pearson, Adam R; West, Tessa V; Dovidio, John F; Powers, Stacie Renfro; Buck, Ross; Henning, Robert

2008-12-01

Intergroup interactions between racial or ethnic majority and minority groups are often stressful for members of both groups; however, the dynamic processes that promote or alleviate tension in intergroup interaction remain poorly understood. Here we identify a behavioral mechanism-response delay-that can uniquely contribute to anxiety and promote disengagement from intergroup contact. Minimally acquainted White, Black, and Latino participants engaged in intergroup or intragroup dyadic conversation either in real time or with a subtle temporal disruption (1-s delay) in audiovisual feedback. Whereas intergroup dyads reported greater anxiety and less interest in contact after engaging in delayed conversation than after engaging in real-time conversation, intragroup dyads reported less anxiety in the delay condition than they did after interacting in real time. These findings have theoretical and practical implications for understanding intergroup communication and social dynamics and for promoting positive intergroup contact.

Polaron spin echo envelope modulations in an organic semiconducting polymer

DOE PAGES

Mkhitaryan, V. V.; Dobrovitski, V. V.

2017-06-01

Here, we present a theoretical analysis of the electron spin echo envelope modulation (ESEEM) spectra of polarons in semiconducting π -conjugated polymers. We show that the contact hyperfine coupling and the dipolar interaction between the polaron and the proton spins give rise to different features in the ESEEM spectra. Our theory enables direct selective probe of different groups of nuclear spins, which affect the polaron spin dynamics. Namely, we demonstrate how the signal from the distant protons (coupled to the polaron spin via dipolar interactions) can be distinguished from the signal coming from the protons residing on the polaron sitemore » (coupled to the polaron spin via contact hyperfine interaction). We propose a method for directly probing the contact hyperfine interaction, that would enable detailed study of the polaron orbital state and its immediate environment. Lastly, we also analyze the decay of the spin echo modulation, and its connection to the polaron transport.« less

Forward Bay Cover Separation Modeling and Testing for the Orion Multi-Purpose Crew Vehicle

NASA Technical Reports Server (NTRS)

Ali, Yasmin; Chuhta, Jesse D.; Hughes, Michael P.; Radke, Tara S.

2015-01-01

Spacecraft multi-body separation events during atmospheric descent require complex testing and analysis to validate the flight separation dynamics models used to verify no re-contact. The NASA Orion Multi-Purpose Crew Vehicle (MPCV) architecture includes a highly-integrated Forward Bay Cover (FBC) jettison assembly design that combines parachutes and piston thrusters to separate the FBC from the Crew Module (CM) and avoid re-contact. A multi-disciplinary team across numerous organizations examined key model parameters and risk areas to develop a robust but affordable test campaign in order to validate and verify the FBC separation event for Exploration Flight Test-1 (EFT-1). The FBC jettison simulation model is highly complex, consisting of dozens of parameters varied simultaneously, with numerous multi-parameter interactions (coupling and feedback) among the various model elements, and encompassing distinct near-field, mid-field, and far-field regimes. The test campaign was composed of component-level testing (for example gas-piston thrusters and parachute mortars), ground FBC jettison tests, and FBC jettison air-drop tests that were accomplished by a highly multi-disciplinary team. Three ground jettison tests isolated the testing of mechanisms and structures to anchor the simulation models excluding aerodynamic effects. Subsequently, two air-drop tests added aerodynamic and parachute elements, and served as integrated system demonstrations, which had been preliminarily explored during the Orion Pad Abort-1 (PA-1) flight test in May 2010. Both ground and drop tests provided extensive data to validate analytical models and to verify the FBC jettison event for EFT-1. Additional testing will be required to support human certification of this separation event, for which NASA and Lockheed Martin are applying knowledge from Apollo and EFT-1 testing and modeling to develop a robust human-rated FBC separation event.

FDI World Dental Federation - clinical criteria for the evaluation of direct and indirect restorations. Update and clinical examples.

PubMed

Hickel, Reinhard; Peschke, Arnd; Tyas, Martin; Mjör, Ivar; Bayne, Stephen; Peters, Mathilde; Hiller, Karl-Anton; Randall, Ross; Vanherle, Guido; Heintze, Siegward D

2010-08-01

In 2007, new clinical criteria were approved by the FDI World Dental Federation and simultaneously published in three dental journals. The criteria were categorized into three groups: esthetic parameters (four criteria), functional parameters (six criteria), and biological parameters (six criteria). Each criterion can be expressed with five scores, three for acceptable and two for non-acceptable (one for reparable and one for replacement). The criteria have been used in several clinical studies since 2007, and the resulting experience in their application has led to a requirement to modify some of the criteria and scores. The two major alterations involve staining and approximal contacts. As staining of the margins and the surface have different causes, both phenomena do not appear simultaneously. Thus, staining has been differentiated into marginal staining and surface staining. The approximal contact now appears under the name "approximal anatomic form" as the approximal contour is a specific, often non-esthetic issue that cannot be integrated into the criterion "esthetic anatomical form". In 2008, a web-based training and calibration tool called e-calib (www.e-calib.info) was made available. Clinical investigators and other research workers can train and calibrate themselves interactively by assessing clinical cases of posterior restorations, which are presented as high quality pictures. Currently, about 300 clinical cases are included in the database which is regularly updated. Training for 8 of the 16 clinical criteria is available in the program: "Surface luster"; "Staining (surface, margins)"; "Color match and translucency"; "Esthetic anatomical form"; "Fracture of material and retention"; "Marginal adaptation"; "Recurrence of caries, erosion, abfraction"; and "Tooth integrity (enamel cracks, tooth fractures)". Typical clinical cases are presented for each of these eight criteria and their corresponding five scores.

Gas-liquid phase coexistence and crossover behavior of binary ionic fluids with screened Coulomb interactions.

PubMed

Patsahan, O

2014-06-01

We study the effects of an interaction range on the gas-liquid phase diagram and the crossover behavior of a simple model of ionic fluids: an equimolar binary mixture of equisized hard spheres interacting through screened Coulomb potentials which are repulsive between particles of the same species and attractive between particles of different species. Using the collective variables theory, we find explicit expressions for the relevant coefficients of the effective φ{4} Ginzburg-Landau Hamiltonian in a one-loop approximation. Within the framework of this approximation, we calculate the critical parameters and gas-liquid phase diagrams for varying inverse screening length z. Both the critical temperature scaled by the Yukawa potential contact value and the critical density rapidly decrease with an increase of the interaction range (a decrease of z) and then for z<0.05 they slowly approach the values found for a restricted primitive model (RPM). We find that gas-liquid coexistence region reduces with an increase of z and completely vanishes at z≃2.78. Our results clearly show that an increase in the interaction range leads to a decrease of the crossover temperature. For z≃0.01, the crossover temperature is the same as for the RPM.

Andreev spectrum with high spin-orbit interactions: Revealing spin splitting and topologically protected crossings

NASA Astrophysics Data System (ADS)

Murani, A.; Chepelianskii, A.; Guéron, S.; Bouchiat, H.

2017-10-01

In order to point out experimentally accessible signatures of spin-orbit interaction, we investigate numerically the Andreev spectrum of a multichannel mesoscopic quantum wire (N) with high spin-orbit interaction coupled to superconducting electrodes (S), contrasting topological and nontopological behaviors. In the nontopological case (square lattice with Rashba interactions), we find that the Kramers degeneracy of Andreev levels is lifted by a phase difference between the S reservoirs except at multiples of π , when the normal quantum wires can host several conduction channels. The level crossings at these points invariant by time-reversal symmetry are not lifted by disorder. Whereas the dc Josephson current is insensitive to these level crossings, the high-frequency admittance (susceptibility) at finite temperature reveals these level crossings and the lifting of their degeneracy at π by a small Zeeman field. We have also investigated the hexagonal lattice with intrinsic spin-orbit interaction in the range of parameters where it is a two-dimensional topological insulator with one-dimensional helical edges protected against disorder. Nontopological superconducting contacts can induce topological superconductivity in this system characterized by zero-energy level crossing of Andreev levels. Both Josephson current and finite-frequency admittance carry then very specific signatures at low temperature of this disorder-protected Andreev level crossing at π and zero energy.

Variation in predicting pantograph-catenary interaction contact forces, numerical simulations and field measurements

NASA Astrophysics Data System (ADS)

Nåvik, Petter; Rønnquist, Anders; Stichel, Sebastian

2017-09-01

The contact force between the pantograph and the contact wire ensures energy transfer between the two. Too small of a force leads to arching and unstable energy transfer, while too large of a force leads to unnecessary wear on both parts. Thus, obtaining the correct contact force is important for both field measurements and estimates using numerical analysis. The field contact force time series is derived from measurements performed by a self-propelled diagnostic vehicle containing overhead line recording equipment. The measurements are not sampled at the actual contact surface of the interaction but by force transducers beneath the collector strips. Methods exist for obtaining more realistic measurements by adding inertia and aerodynamic effects to the measurements. The variation in predicting the pantograph-catenary interaction contact force is studied in this paper by evaluating the effect of the force sampling location and the effects of signal processing such as filtering. A numerical model validated by field measurements is used to study these effects. First, this paper shows that the numerical model can reproduce a train passage with high accuracy. Second, this study introduces three different options for contact force predictions from numerical simulations. Third, this paper demonstrates that the standard deviation and the maximum and minimum values of the contact force are sensitive to a low-pass filter. For a specific case, an 80 Hz cut-off frequency is compared to a 20 Hz cut-off frequency, as required by EN 50317:2012; the results show an 11% increase in standard deviation, a 36% increase in the maximum value and a 19% decrease in the minimum value.

Mixtures of latex particles and the surfactant of opposite charge used as interface stabilizers--influence of particle contact angle, zeta potential, flocculation and shear energy.

PubMed

Deleurence, Rémi; Parneix, Caroline; Monteux, Cécile

2014-09-28

We investigate the stabilization of air-water interfaces by mixtures of negatively charged latex particles (sulfate polystyrene) and cationic surfactants (alkyl trimethylammonium bromides). First we report results concerning the binding of surfactant molecules to the latex particles. As the surfactant concentration increases, the charge of the particles reverses, from negative to positive, because CnTAB first binds electrostatically to the latex particles and then through hydrophobic interaction with the monolayer already adsorbed on the particles as well as directly with the hydrophobic surface of the latex. Over a large range of surfactant concentrations around the charge inversion, a strong flocculation is observed and 100 μm large aggregates form in the suspension. Unlike previous studies published on mixtures of inorganic particles with oppositely charged surfactants, we show that we can vary the sign of the zeta potential of the particles without changing the contact angle of the particles over a large range of surfactant concentrations. Indeed, the latex particles that we study are more hydrophobic than inorganic particles, hence adding moderate concentrations of the surfactant results in a weak variation of the contact angle while the charge of the particles can be reversed. This enables decoupling of the effect of zeta potential and contact angle on the interfacial properties of the mixtures. Our study shows that the contact angle and the charge of the particles are not sufficient parameters to control the foam properties, and the key-parameters are the flocculation state and the shear energy applied to produce the foam. Indeed, flocculated samples, whatever the sign of the zeta potential, enable production of a stable armour at the interface. The large aggregates do not adsorb spontaneously at the interface because of their large size, however when a large shear energy is used to produce the foam very stable foam is obtained, where particles are trapped at interfaces. We suggest that the large aggregates may be broken during shear and may reform at the interface to form a solid armour. A simple calculation taking into account the adsorption dynamics of the aggregates as a function of their size is consistent with this hypothesis.

Estimating parameter of influenza transmission using regularized least square

NASA Astrophysics Data System (ADS)

Nuraini, N.; Syukriah, Y.; Indratno, S. W.

2014-02-01

Transmission process of influenza can be presented in a mathematical model as a non-linear differential equations system. In this model the transmission of influenza is determined by the parameter of contact rate of the infected host and susceptible host. This parameter will be estimated using a regularized least square method where the Finite Element Method and Euler Method are used for approximating the solution of the SIR differential equation. The new infected data of influenza from CDC is used to see the effectiveness of the method. The estimated parameter represents the contact rate proportion of transmission probability in a day which can influence the number of infected people by the influenza. Relation between the estimated parameter and the number of infected people by the influenza is measured by coefficient of correlation. The numerical results show positive correlation between the estimated parameters and the infected people.

PERSISTENT SUPPRESSION OF CONTACT HYPERSENSITIVITY, AND ALTERED T-CELL PARAMETERS IN F344 RATS EXPOSED PERINATALLY TO 2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN (TCDD)

EPA Science Inventory

Abstract
The outcome of perinatal low-level TCDD exposure on the T cell-mediated contact hypersensitivity response (CHS) in adult F344 rats was investigated. Suppression of the 2,4- dinitrofluorobenzene (DNFB)-specific contact hypersensitivity reponse occurred in mature off...

Study of Adsorption Mechanism of Congo Red on Graphene Oxide/PAMAM Nanocomposite

PubMed Central

Rafi, Mohammad; Samiey, Babak; Cheng, Chil-Hung

2018-01-01

Graphene oxide/poly(amidoamine) (GO/PAMAM) nanocomposite adsorbed high quantities of congo red (CR) anionic dye in 0.1 M NaCl solution, with the maximum adsorption capacity of 198 mg·g−1. The kinetics and thermodynamics of adsorption were investigated to elucidate the effects of pH, temperature, shaking rate, ionic strength, and contact time. Kinetic data were analyzed by the KASRA model and the KASRA, ISO, and pore-diffusion equations. Adsorption adsorption isotherms were studied by the ARIAN model and the Henry, Langmuir, and Temkin equations. It was shown that adsorption sites of GO/PAMAM at experimental conditions were phenolic hydroxyl groups of GO sheets and terminal amine groups of PAMAM dendrimer. Analysis of kinetic data indicated that amine sites were located on the surface, and that hydroxyl sites were placed in the pores of adsorbent. CR molecules interacted with the adsorption sites via hydrogen bonds. The molecules were adsorbed firstly on the amine sites, and then on the internal hydroxyl sites. Adsorption kinetic parameters indicated that the interaction of CR to the –NH3+ sites was the rate-controlling step of adsorption of CR on this site and adsorption activation energies calculated for different parts of this step. On the other hand, kinetic parameters showed that the intraparticle diffusion was the rate-controlling step during the interaction of CR molecules to –OH sites and activation energy of this step was not calculable. Finally, the used GO/PAMAM was completely regenerated by using ethylenediamine. PMID:29587463

Positive expectations encourage generalization from a positive intergroup interaction to outgroup attitudes.

PubMed

Deegan, Matthew P; Hehman, Eric; Gaertner, Samuel L; Dovidio, John F

2015-01-01

The current research reveals that while positive expectations about an anticipated intergroup interaction encourage generalization of positive contact to outgroup attitudes, negative expectations restrict the effects of contact on outgroup attitudes. In Study 1, when Blacks and Whites interacted with positive expectations, interaction quality predicted outgroup attitudes to a greater degree than when groups interacted with negative expectations. When expectations (Studies 2 and 3) and the actual interaction quality (Study 4) were manipulated orthogonally, negative expectations about the interaction predicted negative outgroup attitudes, regardless of actual interaction quality. By contrast, participants holding positive expectations who experienced a positive interaction expressed positive outgroup attitudes, whereas when they experienced a negative interaction, they expressed outgroup attitudes as negative as those with negative expectations. Across all four studies, positive expectations encouraged developing outgroup attitudes consistent with interaction quality. © 2014 by the Society for Personality and Social Psychology, Inc.

Nucleation theory with delayed interactions: An application to the early stages of the receptor-mediated adhesion/fusion kinetics of lipid vesicles

NASA Astrophysics Data System (ADS)

Raudino, Antonio; Pannuzzo, Martina

2010-01-01

A semiquantitative theory aimed to describe the adhesion kinetics between soft objects, such as living cells or vesicles, has been developed. When rigid bodies are considered, the adhesion kinetics is successfully described by the classical Derjaguin, Landau, Verwey, and Overbeek (DLVO) picture, where the energy profile of two approaching bodies is given by a two asymmetrical potential wells separated by a barrier. The transition probability from the long-distance to the short-distance minimum defines the adhesion rate. Conversely, soft bodies might follow a different pathway to reach the short-distance minimum: thermally excited fluctuations give rise to local protrusions connecting the approaching bodies. These transient adhesion sites are stabilized by short-range adhesion forces (e.g., ligand-receptor interactions between membranes brought at contact distance), while they are destabilized both by repulsive forces and by the elastic deformation energy. Above a critical area of the contact site, the adhesion forces prevail: the contact site grows in size until the complete adhesion of the two bodies inside a short-distance minimum is attained. This nucleation mechanism has been developed in the framework of a nonequilibrium Fokker-Planck picture by considering both the adhesive patch growth and dissolution processes. In addition, we also investigated the effect of the ligand-receptor pairing kinetics at the adhesion site in the time course of the patch expansion. The ratio between the ligand-receptor pairing kinetics and the expansion rate of the adhesion site is of paramount relevance in determining the overall nucleation rate. The theory enables one to self-consistently include both thermodynamics (energy barrier height) and dynamic (viscosity) parameters, giving rise in some limiting cases to simple analytical formulas. The model could be employed to rationalize fusion kinetics between vesicles, provided the short-range adhesion transition is the rate-limiting step to the whole adhesion process. Approximate relationships between the experimental fusion rates reported in the literature and parameters such as membrane elastic bending modulus, repulsion strength, temperature, osmotic forces, ligand-receptor binding energy, solvent and membrane viscosities are satisfactory explained by our model. The present results hint a possible role of the initial long-distance→short-distance transition in determining the whole fusion kinetics.

Nucleation theory with delayed interactions: an application to the early stages of the receptor-mediated adhesion/fusion kinetics of lipid vesicles.

PubMed

Raudino, Antonio; Pannuzzo, Martina

2010-01-28

A semiquantitative theory aimed to describe the adhesion kinetics between soft objects, such as living cells or vesicles, has been developed. When rigid bodies are considered, the adhesion kinetics is successfully described by the classical Derjaguin, Landau, Verwey, and Overbeek (DLVO) picture, where the energy profile of two approaching bodies is given by a two asymmetrical potential wells separated by a barrier. The transition probability from the long-distance to the short-distance minimum defines the adhesion rate. Conversely, soft bodies might follow a different pathway to reach the short-distance minimum: thermally excited fluctuations give rise to local protrusions connecting the approaching bodies. These transient adhesion sites are stabilized by short-range adhesion forces (e.g., ligand-receptor interactions between membranes brought at contact distance), while they are destabilized both by repulsive forces and by the elastic deformation energy. Above a critical area of the contact site, the adhesion forces prevail: the contact site grows in size until the complete adhesion of the two bodies inside a short-distance minimum is attained. This nucleation mechanism has been developed in the framework of a nonequilibrium Fokker-Planck picture by considering both the adhesive patch growth and dissolution processes. In addition, we also investigated the effect of the ligand-receptor pairing kinetics at the adhesion site in the time course of the patch expansion. The ratio between the ligand-receptor pairing kinetics and the expansion rate of the adhesion site is of paramount relevance in determining the overall nucleation rate. The theory enables one to self-consistently include both thermodynamics (energy barrier height) and dynamic (viscosity) parameters, giving rise in some limiting cases to simple analytical formulas. The model could be employed to rationalize fusion kinetics between vesicles, provided the short-range adhesion transition is the rate-limiting step to the whole adhesion process. Approximate relationships between the experimental fusion rates reported in the literature and parameters such as membrane elastic bending modulus, repulsion strength, temperature, osmotic forces, ligand-receptor binding energy, solvent and membrane viscosities are satisfactory explained by our model. The present results hint a possible role of the initial long-distance-->short-distance transition in determining the whole fusion kinetics.

Two dimensional modeling of elastic wave propagation in solids containing cracks with rough surfaces and friction - Part II: Numerical implementation.

PubMed

Delrue, Steven; Aleshin, Vladislav; Truyaert, Kevin; Bou Matar, Olivier; Van Den Abeele, Koen

2018-01-01

Our study aims at the creation of a numerical toolbox that describes wave propagation in samples containing internal contacts (e.g. cracks, delaminations, debondings, imperfect intergranular joints) of known geometry with postulated contact interaction laws including friction. The code consists of two entities: the contact model and the solid mechanics module. Part I of the paper concerns an in-depth description of a constitutive model for realistic contacts or cracks that takes into account the roughness of the contact faces and the associated effects of friction and hysteresis. In the crack model, three different contact states can be recognized: contact loss, total sliding and partial slip. Normal (clapping) interactions between the crack faces are implemented using a quadratic stress-displacement relation, whereas tangential (friction) interactions were introduced using the Coulomb friction law for the total sliding case, and the Method of Memory Diagrams (MMD) in case of partial slip. In the present part of the paper, we integrate the developed crack model into finite element software in order to simulate elastic wave propagation in a solid material containing internal contacts or cracks. We therefore implemented the comprehensive crack model in MATLAB® and introduced it in the Structural Mechanics Module of COMSOL Multiphysics®. The potential of the approach for ultrasound based inspection of solids with cracks showing acoustic nonlinearity is demonstrated by means of an example of shear wave propagation in an aluminum sample containing a single crack with rough surfaces and friction. Copyright © 2017 Elsevier B.V. All rights reserved.

Propagation-of-uncertainty from contact angle and streaming potential measurements to XDLVO model assessments of membrane-colloid interactions.

PubMed

Muthu, Satish; Childress, Amy; Brant, Jonathan

2014-08-15

Membrane fouling assessed from a fundamental standpoint within the context of the Derjaguin-Landau-Verwey-Overbeek (DLVO) model. The DLVO model requires that the properties of the membrane and foulant(s) be quantified. Membrane surface charge (zeta potential) and free energy values are characterized using streaming potential and contact angle measurements, respectively. Comparing theoretical assessments for membrane-colloid interactions between research groups requires that the variability of the measured inputs be established. The impact that such variability in input values on the outcome from interfacial models must be quantified to determine an acceptable variance in inputs. An interlaboratory study was conducted to quantify the variability in streaming potential and contact angle measurements when using standard protocols. The propagation of uncertainty from these errors was evaluated in terms of their impact on the quantitative and qualitative conclusions on extended DLVO (XDLVO) calculated interaction terms. The error introduced into XDLVO calculated values was of the same magnitude as the calculated free energy values at contact and at any given separation distance. For two independent laboratories to draw similar quantitative conclusions regarding membrane-foulant interfacial interactions the standard error in contact angle values must be⩽2.5°, while that for the zeta potential values must be⩽7 mV. Copyright © 2014 Elsevier Inc. All rights reserved.

Tribological interaction between polytetrafluoroethylene and silicon oxide surfaces

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

Uçar, A.; Çopuroğlu, M.; Suzer, S., E-mail: suzer@fen.bilkent.edu.tr

2014-10-28

We investigated the tribological interaction between polytetrafluoroethylene (PTFE) and silicon oxide surfaces. A simple rig was designed to bring about a friction between the surfaces via sliding a piece of PTFE on a thermally oxidized silicon wafer specimen. A very mild inclination (∼0.5°) along the sliding motion was also employed in order to monitor the tribological interaction in a gradual manner as a function of increasing contact force. Additionally, some patterns were sketched on the silicon oxide surface using the PTFE tip to investigate changes produced in the hydrophobicity of the surface, where the approximate water contact angle was 45°more » before the transfer. The nature of the transferred materials was characterized by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). XPS results revealed that PTFE was faithfully transferred onto the silicon oxide surface upon even at the slightest contact and SEM images demonstrated that stable morphological changes could be imparted onto the surface. The minimum apparent contact pressure to realize the PTFE transfer is estimated as 5 kPa, much lower than reported previously. Stability of the patterns imparted towards many chemical washing processes lead us to postulate that the interaction is most likely to be chemical. Contact angle measurements, which were carried out to characterize and monitor the hydrophobicity of the silicon oxide surface, showed that upon PTFE transfer the hydrophobicity of the SiO{sub 2} surface could be significantly enhanced, which might also depend upon the pattern sketched onto the surface. Contact angle values above 100° were obtained.« less

Molecular dynamics simulation of trp-repressor/operator complex: analysis of hydrogen bond patterns of protein DNA interaction

NASA Astrophysics Data System (ADS)

Suenaga, A.; Yatsu, C.; Komeiji, Y.; Uebayasi, M.; Meguro, T.; Yamato, I.

2000-08-01

Molecular dynamics simulation of Escherichia colitrp-repressor/operator complex was performed to elucidate protein-DNA interactions in solution for 800 ps on special-purpose computer MD-GRAPE. The Ewald summation method was employed to treat the electrostatic interaction without cutoff. DNA kept stable conformation in comparison with the result of the conventional cutoff method. Thus, the trajectories obtained were used to analyze the protein-DNA interaction and to understand the role of dynamics of water molecules forming sequence specific recognition interface. The dynamical cross-correlation map showed a significant positive correlation between the helix-turn-helix DNA-binding motifs and the major grooves of operator DNA. The extensive contact surface was stable during the simulation. Most of the contacts consisted of direct interactions between phosphates of DNA and the protein, but several water-mediated polar contacts were also observed. These water-mediated interactions, which were also seen in the crystal structure (Z. Otwinowski, et al., Nature, 335 (1998) 321) emerged spontaneously from the randomized initial configuration of the solvent. This result suggests the importance of the water-mediated interaction in specific recognition of DNA by the trp-repressor, consistent with X-ray structural information.

Live interaction distinctively shapes social gaze dynamics in rhesus macaques.

PubMed

Dal Monte, Olga; Piva, Matthew; Morris, Jason A; Chang, Steve W C

2016-10-01

The dynamic interaction of gaze between individuals is a hallmark of social cognition. However, very few studies have examined social gaze dynamics after mutual eye contact during real-time interactions. We used a highly quantifiable paradigm to assess social gaze dynamics between pairs of monkeys and modeled these dynamics using an exponential decay function to investigate sustained attention after mutual eye contact. When monkeys were interacting with real partners compared with static images and movies of the same monkeys, we found a significant increase in the proportion of fixations to the eyes and a smaller dispersion of fixations around the eyes, indicating enhanced focal attention to the eye region. Notably, dominance and familiarity between the interacting pairs induced separable components of gaze dynamics that were unique to live interactions. Gaze dynamics of dominant monkeys after mutual eye contact were associated with a greater number of fixations to the eyes, whereas those of familiar pairs were associated with a faster rate of decrease in this eye-directed attention. Our findings endorse the notion that certain key aspects of social cognition are only captured during interactive social contexts and dependent on the elapsed time relative to socially meaningful events. Copyright © 2016 the American Physiological Society.

Live interaction distinctively shapes social gaze dynamics in rhesus macaques

PubMed Central

Piva, Matthew; Morris, Jason A.; Chang, Steve W. C.

2016-01-01

The dynamic interaction of gaze between individuals is a hallmark of social cognition. However, very few studies have examined social gaze dynamics after mutual eye contact during real-time interactions. We used a highly quantifiable paradigm to assess social gaze dynamics between pairs of monkeys and modeled these dynamics using an exponential decay function to investigate sustained attention after mutual eye contact. When monkeys were interacting with real partners compared with static images and movies of the same monkeys, we found a significant increase in the proportion of fixations to the eyes and a smaller dispersion of fixations around the eyes, indicating enhanced focal attention to the eye region. Notably, dominance and familiarity between the interacting pairs induced separable components of gaze dynamics that were unique to live interactions. Gaze dynamics of dominant monkeys after mutual eye contact were associated with a greater number of fixations to the eyes, whereas those of familiar pairs were associated with a faster rate of decrease in this eye-directed attention. Our findings endorse the notion that certain key aspects of social cognition are only captured during interactive social contexts and dependent on the elapsed time relative to socially meaningful events. PMID:27486105

Investigation of deformation of elements of three-dimensional reinforced concrete structures located in the soil, interacting with each other through rubber gaskets

NASA Astrophysics Data System (ADS)

Berezhnoi, D. V.; Balafendieva, I. S.; Sachenkov, A. A.; Sekaeva, L. R.

2017-06-01

In work the technique of calculation of elements of three-dimensional reinforced concrete substructures located in a soil, interacting with each other through rubber linings is realized. To describe the interaction of deformable structures with the ground, special “semi-infinite” finite elements are used. A technique has been implemented that allows one to describe the contact interaction of three-dimensional structures by means of a special contact finite element with specific properties. The obtained numerical results are compared with the experimental data, their good agreement is noted.

Eye Contact Affects Object Representation in 9-Month-Old Infants.

PubMed

Okumura, Yuko; Kobayashi, Tessei; Itakura, Shoji

2016-01-01

Social cues in interaction with others enable infants to extract useful information from their environment. Although previous research has shown that infants process and retain different information about an object depending on the presence of social cues, the effect of eye contact as an isolated independent variable has not been investigated. The present study investigated how eye contact affects infants' object processing. Nine-month-olds engaged in two types of social interactions with an experimenter. When the experimenter showed an object without eye contact, the infants processed and remembered both the object's location and its identity. In contrast, when the experimenter showed the object while making eye contact with the infant, the infant preferentially processed object's identity but not its location. Such effects might assist infants to selectively attend to useful information. Our findings revealed that 9-month-olds' object representations are modulated in accordance with the context, thus elucidating the function of eye contact for infants' object representation.

Hot or not? Thermal reactions to social contact.

PubMed

Hahn, Amanda C; Whitehead, Ross D; Albrecht, Marion; Lefevre, Carmen E; Perrett, David I

2012-10-23

Previous studies using thermal imaging have suggested that face and body temperature increase during periods of sexual arousal. Additionally, facial skin temperature changes are associated with other forms of emotional arousal, including fear and stress. This study investigated whether interpersonal social contact can elicit facial temperature changes. Study 1: infrared images were taken during a standardized interaction with a same- and opposite-sex experimenter using skin contact in a number of potentially high-intimate (face and chest) and low-intimate (arm and palm) locations. Facial skin temperatures significantly increased from baseline during the face and chest contact, and these temperature shifts were larger when contact was made by an opposite-sex experimenter. Study 2: the topography of facial temperature change was investigated in five regions: forehead, periorbital, nose, mouth and cheeks. Increased temperature in the periorbital, nose and mouth regions predicted overall facial temperature shifts to social contact. Our findings demonstrate skin temperature changes are a sensitive index of arousal during interpersonal interactions.

Prediction of human gait parameters from temporal measures of foot-ground contact

NASA Technical Reports Server (NTRS)

Breit, G. A.; Whalen, R. T.

1997-01-01

Investigation of the influence of human physical activity on bone functional adaptation requires long-term histories of gait-related ground reaction force (GRF). Towards a simpler portable GRF measurement, we hypothesized that: 1) the reciprocal of foot-ground contact time (1/tc); or 2) the reciprocal of stride-period-normalized contact time (T/tc) predict peak vertical and horizontal GRF, loading rates, and horizontal speed during gait. GRF data were collected from 24 subjects while they walked and ran at a variety of speeds. Linear regression and ANCOVA determined the dependence of gait parameters on 1/tc and T/tc, and prediction SE. All parameters were significantly correlated to 1/tc and T/tc. The closest pooled relationship existed between peak running vertical GRF and T/tc (r2 = 0.896; SE = 3.6%) and improved with subject-specific regression (r2 = 0.970; SE = 2.2%). We conclude that temporal measures can predict force parameters of gait and may represent an alternative to direct GRF measurements for determining daily histories of habitual lower limb loading quantities necessary to quantify a bone remodeling stimulus.

Changing public stigma with continuum beliefs.

PubMed

Corrigan, Patrick W; Schmidt, Annie; Bink, Andrea B; Nieweglowski, Katherine; Al-Khouja, Maya A; Qin, Sang; Discont, Steve

2017-10-01

Given the egregious effect of public stigma on the lives of people with mental illness, researchers have sought to unpack and identify effective components of anti-stigma programs. We expect to show that continuum messages have more positive effect on stigma and affirming attitudes (beliefs that people with mental illness recover and should be personally empowered) than categorical perspectives. The effect of continuum beliefs will interact with contact strategies. A total of 598 research participants were randomly assigned to online presentations representing one of the six conditions: three messages (continuum, categorical, or neutral control) by two processes (education or contact). Participants completed measures of continuum beliefs (as a manipulation check), stigma and affirming attitudes after viewing the condition. Continuum messages had significantly better effect on views that people with mental illness are "different," a finding that interacted with contact. Continuum messages also had better effects on recovery beliefs, once again an effect that interacted significantly with contact. Implications of these findings for improving anti-stigma programs are discussed.

Friction laws at the nanoscale.

PubMed

Mo, Yifei; Turner, Kevin T; Szlufarska, Izabela

2009-02-26

Macroscopic laws of friction do not generally apply to nanoscale contacts. Although continuum mechanics models have been predicted to break down at the nanoscale, they continue to be applied for lack of a better theory. An understanding of how friction force depends on applied load and contact area at these scales is essential for the design of miniaturized devices with optimal mechanical performance. Here we use large-scale molecular dynamics simulations with realistic force fields to establish friction laws in dry nanoscale contacts. We show that friction force depends linearly on the number of atoms that chemically interact across the contact. By defining the contact area as being proportional to this number of interacting atoms, we show that the macroscopically observed linear relationship between friction force and contact area can be extended to the nanoscale. Our model predicts that as the adhesion between the contacting surfaces is reduced, a transition takes place from nonlinear to linear dependence of friction force on load. This transition is consistent with the results of several nanoscale friction experiments. We demonstrate that the breakdown of continuum mechanics can be understood as a result of the rough (multi-asperity) nature of the contact, and show that roughness theories of friction can be applied at the nanoscale.

Demography-based adaptive network model reproduces the spatial organization of human linguistic groups

NASA Astrophysics Data System (ADS)

Capitán, José A.; Manrubia, Susanna

2015-12-01

The distribution of human linguistic groups presents a number of interesting and nontrivial patterns. The distributions of the number of speakers per language and the area each group covers follow log-normal distributions, while population and area fulfill an allometric relationship. The topology of networks of spatial contacts between different linguistic groups has been recently characterized, showing atypical properties of the degree distribution and clustering, among others. Human demography, spatial conflicts, and the construction of networks of contacts between linguistic groups are mutually dependent processes. Here we introduce an adaptive network model that takes all of them into account and successfully reproduces, using only four model parameters, not only those features of linguistic groups already described in the literature, but also correlations between demographic and topological properties uncovered in this work. Besides their relevance when modeling and understanding processes related to human biogeography, our adaptive network model admits a number of generalizations that broaden its scope and make it suitable to represent interactions between agents based on population dynamics and competition for space.

Demography-based adaptive network model reproduces the spatial organization of human linguistic groups.

PubMed

Capitán, José A; Manrubia, Susanna

2015-12-01

The distribution of human linguistic groups presents a number of interesting and nontrivial patterns. The distributions of the number of speakers per language and the area each group covers follow log-normal distributions, while population and area fulfill an allometric relationship. The topology of networks of spatial contacts between different linguistic groups has been recently characterized, showing atypical properties of the degree distribution and clustering, among others. Human demography, spatial conflicts, and the construction of networks of contacts between linguistic groups are mutually dependent processes. Here we introduce an adaptive network model that takes all of them into account and successfully reproduces, using only four model parameters, not only those features of linguistic groups already described in the literature, but also correlations between demographic and topological properties uncovered in this work. Besides their relevance when modeling and understanding processes related to human biogeography, our adaptive network model admits a number of generalizations that broaden its scope and make it suitable to represent interactions between agents based on population dynamics and competition for space.

An Open-Source Toolbox for Surrogate Modeling of Joint Contact Mechanics

PubMed Central

Eskinazi, Ilan

2016-01-01

Goal Incorporation of elastic joint contact models into simulations of human movement could facilitate studying the interactions between muscles, ligaments, and bones. Unfortunately, elastic joint contact models are often too expensive computationally to be used within iterative simulation frameworks. This limitation can be overcome by using fast and accurate surrogate contact models that fit or interpolate input-output data sampled from existing elastic contact models. However, construction of surrogate contact models remains an arduous task. The aim of this paper is to introduce an open-source program called Surrogate Contact Modeling Toolbox (SCMT) that facilitates surrogate contact model creation, evaluation, and use. Methods SCMT interacts with the third party software FEBio to perform elastic contact analyses of finite element models and uses Matlab to train neural networks that fit the input-output contact data. SCMT features sample point generation for multiple domains, automated sampling, sample point filtering, and surrogate model training and testing. Results An overview of the software is presented along with two example applications. The first example demonstrates creation of surrogate contact models of artificial tibiofemoral and patellofemoral joints and evaluates their computational speed and accuracy, while the second demonstrates the use of surrogate contact models in a forward dynamic simulation of an open-chain leg extension-flexion motion. Conclusion SCMT facilitates the creation of computationally fast and accurate surrogate contact models. Additionally, it serves as a bridge between FEBio and OpenSim musculoskeletal modeling software. Significance Researchers may now create and deploy surrogate models of elastic joint contact with minimal effort. PMID:26186761

Skin cooling on contact with cold materials: the effect of blood flow during short-term exposures.

PubMed

Jay, Ollie; Havenith, George

2004-03-01

This study investigates the effect of blood flow upon the short-term (<180 s) skin contact cooling response in order to ascertain whether sufferers of circulatory disorders, such as the vasospastic disorder Raynaud's disease, are at a greater risk of cold injury than people with a normal rate of blood flow. Eight female volunteers participated, touching blocks of stainless steel and nylon with a finger contact force of 2.9 N at a surface temperature of -5 degrees C under occluded and vasodilated conditions. Contact temperature (Tc) of the finger pad was measured over time using a T-type thermocouple. Forearm blood flow was measured using strain gauge plethysmography. Contact cooling responses were analysed by fitting a modified Newtonian cooling curve. A significant difference was found between the starting skin temperatures for the two blood flow conditions (P<0.001). However, no effect of blood flow was found upon any of the derived cooling curve parameters characterizing the skin cooling response (P>0.05). It is hypothesized that the finger contact force used (2.9 N) and the resultant pressure upon the tissue of the contact finger pad restricted the blood supply to the contact area under both blood flow conditions; therefore, no effect of blood flow was found upon the parameters describing the contact cooling response. Whilst the findings of this study are sufficient to draw a conclusion for those in a working environment, i.e. contact forces below 2.9 N will seldom be encountered, a further study will be required to ascertain conclusively whether blood flow does affect the contact cooling response at a finger contact force low enough to allow unrestricted blood flow to the finger pad. Further protocol improvements are also recommended.

Direct generation of superhydrophobic microstructures in metals by UV laser sources in the nanosecond regime

NASA Astrophysics Data System (ADS)

Ocaña, Jose L.; Jagdheesh, R.; García-Ballesteros, J. J.

2016-02-01

The current availability of new advanced fiber and DPSS lasers with characteristic pulse lengths ranging from ns to fs has provided a unique frame in which the development of laser-generated microstructures has been made possible for very diverse kinds of materials and applications. At the same time, the development of the appropriate laser-processing workstations granting the appropriate precision and repeatability of the respective laser interaction processes in line with the characteristic dimension features required in the microstructured samples has definitively consolidated laser surface microstructuring as a reference domain, nowadays, unavoidable for the design and manufacturing of current use microsystem: MEMSs, fluidic devices, advanced sensors, biomedical devices and instruments, etc., are all among the most well-known developments of the micromanufacturing technology. Completing the broad spectrum of applications developed mostly involving the generation of geometrical features on a subtrate with specific functional purposes, a relatively new, emerging class of laser-microstructuring techniques is finding an important niche of application in the generation of physically structured surfaces (particularly of metallic materials) with specific contact, friction, and wear functionalities, for whose generation the concourse of different types of laser sources is being found as an appropriate tool. In this paper, the application of laser sources with emission in the UV and at ns time regime to the surface structuration of metal surfaces (specifically Al) for the modification of their wettability properties is described as an attractive application basis for the generation of self-cleaning properties of extended functional surfaces. Flat aluminum sheets of thickness 100 μm were laser machined with ultraviolet laser pulses of 30 ns with different laser parameters to optimize the process parameters. The samples produced at the optimum conditions with respect to contact angle measurement were subjected to microstructure and chemical analysis. The wetting properties were evaluated by static contact angle measurements on the laser-patterned surface. The laser-patterned microstructures exhibited superhydrophobicity with a maximum contact angle of 180° for the droplet volumes in the range of 8-12 μl.

Prediction of residue-residue contact matrix for protein-protein interaction with Fisher score features and deep learning.

PubMed

Du, Tianchuan; Liao, Li; Wu, Cathy H; Sun, Bilin

2016-11-01

Protein-protein interactions play essential roles in many biological processes. Acquiring knowledge of the residue-residue contact information of two interacting proteins is not only helpful in annotating functions for proteins, but also critical for structure-based drug design. The prediction of the protein residue-residue contact matrix of the interfacial regions is challenging. In this work, we introduced deep learning techniques (specifically, stacked autoencoders) to build deep neural network models to tackled the residue-residue contact prediction problem. In tandem with interaction profile Hidden Markov Models, which was used first to extract Fisher score features from protein sequences, stacked autoencoders were deployed to extract and learn hidden abstract features. The deep learning model showed significant improvement over the traditional machine learning model, Support Vector Machines (SVM), with the overall accuracy increased by 15% from 65.40% to 80.82%. We showed that the stacked autoencoders could extract novel features, which can be utilized by deep neural networks and other classifiers to enhance learning, out of the Fisher score features. It is further shown that deep neural networks have significant advantages over SVM in making use of the newly extracted features. Copyright © 2016. Published by Elsevier Inc.

Interface bonding in silicon oxide nanocontacts: interaction potentials and force measurements.

PubMed

Wierez-Kien, M; Craciun, A D; Pinon, A V; Roux, S Le; Gallani, J L; Rastei, M V

2018-04-01

The interface bonding between two silicon-oxide nanoscale surfaces has been studied as a function of atomic nature and size of contacting asperities. The binding forces obtained using various interaction potentials are compared with experimental force curves measured in vacuum with an atomic force microscope. In the limit of small nanocontacts (typically <10 3 nm 2 ) measured with sensitive probes the bonding is found to be influenced by thermal-induced fluctuations. Using interface interactions described by Morse, embedded atom model, or Lennard-Jones potential within reaction rate theory, we investigate three bonding types of covalent and van der Waals nature. The comparison of numerical and experimental results reveals that a Lennard-Jones-like potential originating from van der Waals interactions captures the binding characteristics of dry silicon oxide nanocontacts, and likely of other nanoscale materials adsorbed on silicon oxide surfaces. The analyses reveal the importance of the dispersive surface energy and of the effective contact area which is altered by stretching speeds. The mean unbinding force is found to decrease as the contact spends time in the attractive regime. This contact weakening is featured by a negative aging coefficient which broadens and shifts the thermal-induced force distribution at low stretching speeds.

Interface bonding in silicon oxide nanocontacts: interaction potentials and force measurements

NASA Astrophysics Data System (ADS)

Wierez-Kien, M.; Craciun, A. D.; Pinon, A. V.; Le Roux, S.; Gallani, J. L.; Rastei, M. V.

2018-04-01

The interface bonding between two silicon-oxide nanoscale surfaces has been studied as a function of atomic nature and size of contacting asperities. The binding forces obtained using various interaction potentials are compared with experimental force curves measured in vacuum with an atomic force microscope. In the limit of small nanocontacts (typically <103 nm2) measured with sensitive probes the bonding is found to be influenced by thermal-induced fluctuations. Using interface interactions described by Morse, embedded atom model, or Lennard-Jones potential within reaction rate theory, we investigate three bonding types of covalent and van der Waals nature. The comparison of numerical and experimental results reveals that a Lennard-Jones-like potential originating from van der Waals interactions captures the binding characteristics of dry silicon oxide nanocontacts, and likely of other nanoscale materials adsorbed on silicon oxide surfaces. The analyses reveal the importance of the dispersive surface energy and of the effective contact area which is altered by stretching speeds. The mean unbinding force is found to decrease as the contact spends time in the attractive regime. This contact weakening is featured by a negative aging coefficient which broadens and shifts the thermal-induced force distribution at low stretching speeds.

Cooperation of TOM and TIM23 complexes during translocation of proteins into mitochondria.

PubMed

Waegemann, Karin; Popov-Čeleketić, Dušan; Neupert, Walter; Azem, Abdussalam; Mokranjac, Dejana

2015-03-13

Translocation of the majority of mitochondrial proteins from the cytosol into mitochondria requires the cooperation of TOM and TIM23 complexes in the outer and inner mitochondrial membranes. The molecular mechanisms underlying this cooperation remain largely unknown. Here, we present biochemical and genetic evidence that at least two contacts from the side of the TIM23 complex play an important role in TOM-TIM23 cooperation in vivo. Tim50, likely through its very C-terminal segment, interacts with Tom22. This interaction is stimulated by translocating proteins and is independent of any other TOM-TIM23 contact known so far. Furthermore, the exposure of Tim23 on the mitochondrial surface depends not only on its interaction with Tim50 but also on the dynamics of the TOM complex. Destabilization of the individual contacts reduces the efficiency of import of proteins into mitochondria and destabilization of both contacts simultaneously is not tolerated by yeast cells. We conclude that an intricate and coordinated network of protein-protein interactions involving primarily Tim50 and also Tim23 is required for efficient translocation of proteins across both mitochondrial membranes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Direct TFIIA-TFIID Protein Contacts Drive Budding Yeast Ribosomal Protein Gene Transcription*

PubMed Central

Layer, Justin H.; Weil, P. Anthony

2013-01-01

We have previously shown that yeast TFIID provides coactivator function on the promoters of ribosomal protein-encoding genes (RPGs) by making direct contact with the transactivator repressor activator protein 1 (Rap1). Further, our structural studies of assemblies generated with purified Rap1, TFIID, and TFIIA on RPG enhancer-promoter DNA indicate that Rap1-TFIID interaction induces dramatic conformational rearrangements of enhancer-promoter DNA and TFIID-bound TFIIA. These data indicate a previously unknown yet critical role for yeast TFIIA in the integration of activator-TFIID contacts with promoter conformation and downstream preinitiation complex formation and/or function. Here we describe the use of systematic mutagenesis to define how specific TFIIA contacts contribute to these processes. We have verified that TFIIA is required for RPG transcription in vivo and in vitro, consistent with the existence of a critical Rap1-TFIIA-TFIID interaction network. We also identified essential points of contact for TFIIA and Rap1 within the Rap1 binding domain of the Taf4 subunit of TFIID. These data suggest a mechanism for how interactions between TFIID, TFIIA, and Rap1 contribute to the high rate of transcription initiation seen on RPGs in vivo. PMID:23814059

Skin friction under pressure. The role of micromechanics

NASA Astrophysics Data System (ADS)

Leyva-Mendivil, Maria F.; Lengiewicz, Jakub; Limbert, Georges

2018-03-01

The role of contact pressure on skin friction has been documented in multiple experimental studies. Skin friction significantly raises in the low-pressure regime as load increases while, after a critical pressure value is reached, the coefficient of friction of skin against an external surface becomes mostly insensitive to contact pressure. However, up to now, no study has elucidated the qualitative and quantitative nature of the interplay between contact pressure, the material and microstructural properties of the skin, the size of an indenting slider and the resulting measured macroscopic coefficient of friction. A mechanistic understanding of these aspects is essential for guiding the rational design of products intended to interact with the skin through optimally-tuned surface and/or microstructural properties. Here, an anatomically-realistic 2D multi-layer finite element model of the skin was embedded within a computational contact homogenisation procedure. The main objective was to investigate the sensitivity of macroscopic skin friction to the parameters discussed above, in addition to the local (i.e. microscopic) coefficient of friction defined at skin asperity level. This was accomplished via the design of a large-scale computational experiment featuring 312 analyses. Results confirmed the potentially major role of finite deformations of skin asperities on the resulting macroscopic friction. This effect was shown to be modulated by the level of contact pressure and relative size of skin surface asperities compared to those of a rigid slider. The numerical study also corroborated experimental observations concerning the existence of two contact pressure regimes where macroscopic friction steeply and non-linearly increases up to a critical value, and then remains approximately constant as pressure increases further. The proposed computational modelling platform offers attractive features which are beyond the reach of current analytical models of skin friction, namely, the ability to accommodate arbitrary kinematics, non-linear constitutive properties and the complex skin microstructure.

A simulation analysis to characterize the dynamics of vaccinating behaviour on contact networks.

PubMed

Perisic, Ana; Bauch, Chris T

2009-05-28

Human behavior influences infectious disease transmission, and numerous "prevalence-behavior" models have analyzed this interplay. These previous analyses assumed homogeneously mixing populations without spatial or social structure. However, spatial and social heterogeneity are known to significantly impact transmission dynamics and are particularly relevant for certain diseases. Previous work has demonstrated that social contact structure can change the individual incentive to vaccinate, thus enabling eradication of a disease under a voluntary vaccination policy when the corresponding homogeneous mixing model predicts that eradication is impossible due to free rider effects. Here, we extend this work and characterize the range of possible behavior-prevalence dynamics on a network. We simulate transmission of a vaccine-preventable infection through a random, static contact network. Individuals choose whether or not to vaccinate on any given day according to perceived risks of vaccination and infection. We find three possible outcomes for behavior-prevalence dynamics on this type of network: small final number vaccinated and final epidemic size (due to rapid control through voluntary ring vaccination); large final number vaccinated and significant final epidemic size (due to imperfect voluntary ring vaccination), and little or no vaccination and large final epidemic size (corresponding to little or no voluntary ring vaccination). We also show that the social contact structure enables eradication under a broad range of assumptions, except when vaccine risk is sufficiently high, the disease risk is sufficiently low, or individuals vaccinate too late for the vaccine to be effective. For populations where infection can spread only through social contact network, relatively small differences in parameter values relating to perceived risk or vaccination behavior at the individual level can translate into large differences in population-level outcomes such as final size and final number vaccinated. The qualitative outcome of rational, self interested behaviour under a voluntary vaccination policy can vary substantially depending on interactions between social contact structure, perceived vaccine and disease risks, and the way that individual vaccination decision-making is modelled.

A simulation analysis to characterize the dynamics of vaccinating behaviour on contact networks

PubMed Central

2009-01-01

Background Human behavior influences infectious disease transmission, and numerous "prevalence-behavior" models have analyzed this interplay. These previous analyses assumed homogeneously mixing populations without spatial or social structure. However, spatial and social heterogeneity are known to significantly impact transmission dynamics and are particularly relevant for certain diseases. Previous work has demonstrated that social contact structure can change the individual incentive to vaccinate, thus enabling eradication of a disease under a voluntary vaccination policy when the corresponding homogeneous mixing model predicts that eradication is impossible due to free rider effects. Here, we extend this work and characterize the range of possible behavior-prevalence dynamics on a network. Methods We simulate transmission of a vaccine-prevetable infection through a random, static contact network. Individuals choose whether or not to vaccinate on any given day according to perceived risks of vaccination and infection. Results We find three possible outcomes for behavior-prevalence dynamics on this type of network: small final number vaccinated and final epidemic size (due to rapid control through voluntary ring vaccination); large final number vaccinated and significant final epidemic size (due to imperfect voluntary ring vaccination), and little or no vaccination and large final epidemic size (corresponding to little or no voluntary ring vaccination). We also show that the social contact structure enables eradication under a broad range of assumptions, except when vaccine risk is sufficiently high, the disease risk is sufficiently low, or individuals vaccinate too late for the vaccine to be effective. Conclusion For populations where infection can spread only through social contact network, relatively small differences in parameter values relating to perceived risk or vaccination behavior at the individual level can translate into large differences in population-level outcomes such as final size and final number vaccinated. The qualitative outcome of rational, self interested behaviour under a voluntary vaccination policy can vary substantially depending on interactions between social contact structure, perceived vaccine and disease risks, and the way that individual vaccination decision-making is modelled. PMID:19476616

Contact printing of protein microarrays.

PubMed

Austin, John; Holway, Antonia H

2011-01-01

A review is provided of contact-printing technologies for the fabrication of planar protein microarrays. The key printing performance parameters for creating protein arrays are reviewed. Solid pin and quill pin technologies are described and their strengths and weaknesses compared.

Electrical properties of aluminum contacts deposited by DC sputtering method for photovoltaic applications

NASA Astrophysics Data System (ADS)

Krawczak, Ewelina; Gułkowski, Sławomir

2017-10-01

The use of aluminum contacts is common in the process of silicon solar cells production because of low contact resistivity. It has also a great importance in thin film technology for photovoltaics, especially in copper-indium-gallium-diselenide (CIGS) devices. The final stage of CIGS cell production is the top contact deposition of high conductivity layer for lateral current collection. Such material has to be highly optically transparent as well. In order to make a contact, metal is deposited onto TCO layer with minimum shadowing to allow as much light as possible into device. The metal grid contact is being made by deposition of few microns of aluminum. The resistivity of the deposited material as well as resistance between the metal grid and TCO layer plays a great role in high quality solar cell production. This paper presents the results of four point probe conductivity analysis of Al thin films deposited by direct current (DC) magnetron sputtering method. Influence of technological parameters of the Al deposition process on sheet resistance of deposited layers has been showed. In order to obtain the lowest resistivity of the thin contact layer, optimal set of sputtering parameters, i.e. power applied, deposition time and deposition pressure was found. The resistivity of the contact between two adjacent Al metal fingers deposited onto transparent conductive Al-doped zinc oxide film has been also examined.

Surface thermodynamics and adhesion forces governing bacterial transmission in contact lens related microbial keratitis.

PubMed

Qu, Wenwen; Busscher, Henk J; Hooymans, Johanna M M; van der Mei, Henny C

2011-06-15

Contact lens induced microbial keratitis results from bacterial transmission from one surface to another. We investigated the adhesion forces of Pseudomonas aeruginosa, Staphylococci and Serratia to different contact lenses, lens cases and corneal surfaces using AFM, and applied a Weibull analysis on these adhesion forces to calculate bacterial transmission probabilities from lens case to corneas with a contact lens as an intermediate. Also a new surface thermodynamic parameter was introduced, the interfacial free energy of transmission, which in essence compares the interfacial free energies of bacterial adhesion, calculated from measured contact angles with liquids on the donating and receiving surfaces in the transmission process. Bacterial adhesion forces were generally strongest among all eight strains for the lens case (-6.5 to -12.0 nN) and corneas (-3.5 to -11.5 nN), while contact lenses (-0.6 to -13.1 nN) exerted slightly smaller adhesion forces. Consequently, bacterial transmission from lens case to contact lens yielded a smaller contribution in the final transmission than from contact lens to cornea. Bacterial transmission probabilities as derived from force analyses were higher when the interfacial free energies of transmission were more negative, which is in line with surface thermodynamic principles. Therewith this parameter could provide useful in analyzing other bacterial transmission phenomena between donating and receiving surfaces as well. Copyright © 2011 Elsevier Inc. All rights reserved.

Thick-film materials for silicon photovoltaic cell manufacture

NASA Technical Reports Server (NTRS)

Field, M. B.

1977-01-01

Thick film technology is applicable to three areas of silicon solar cell fabrication; metallization, junction formation, and coating for protection of screened ohmic contacts, particularly wrap around contacts, interconnection and environmental protection. Both material and process parameters were investigated. Printed ohmic contacts on n- and p-type silicon are very sensitive to the processing parameters of firing time, temperature, and atmosphere. Wrap around contacts are easily achieved by first printing and firing a dielectric over the edge and subsequently applying a low firing temperature conductor. Interconnection of cells into arrays can be achieved by printing and cofiring thick film metal pastes, soldering, or with heat curing conductive epoxies on low cost substrates. Printed (thick) film vitreous protection coatings do not yet offer sufficient optical uniformity and transparency for use on silicon. A sprayed, heat curable SiO2 based resin shows promise of providing both optical matching and environmental protection.

Bio-knowledge based filters improve residue-residue contact prediction accuracy.

PubMed

Wozniak, P P; Pelc, J; Skrzypecki, M; Vriend, G; Kotulska, M

2018-05-29

Residue-residue contact prediction through direct coupling analysis has reached impressive accuracy, but yet higher accuracy will be needed to allow for routine modelling of protein structures. One way to improve the prediction accuracy is to filter predicted contacts using knowledge about the particular protein of interest or knowledge about protein structures in general. We focus on the latter and discuss a set of filters that can be used to remove false positive contact predictions. Each filter depends on one or a few cut-off parameters for which the filter performance was investigated. Combining all filters while using default parameters resulted for a test-set of 851 protein domains in the removal of 29% of the predictions of which 92% were indeed false positives. All data and scripts are available from http://comprec-lin.iiar.pwr.edu.pl/FPfilter/. malgorzata.kotulska@pwr.edu.pl. Supplementary data are available at Bioinformatics online.

Thermoplastic matrix composite processing model

NASA Technical Reports Server (NTRS)

Dara, P. H.; Loos, A. C.

1985-01-01

The effects the processing parameters pressure, temperature, and time have on the quality of continuous graphite fiber reinforced thermoplastic matrix composites were quantitatively accessed by defining the extent to which intimate contact and bond formation has occurred at successive ply interfaces. Two models are presented predicting the extents to which the ply interfaces have achieved intimate contact and cohesive strength. The models are based on experimental observation of compression molded laminates and neat resin conditions, respectively. Identified as the mechanism explaining the phenomenon by which the plies bond to themselves is the theory of autohesion (or self diffusion). Theoretical predictions from the Reptation Theory between autohesive strength and contact time are used to explain the effects of the processing parameters on the observed experimental strengths. The application of a time-temperature relationship for autohesive strength predictions is evaluated. A viscoelastic compression molding model of a tow was developed to explain the phenomenon by which the prepreg ply interfaces develop intimate contact.

Reduction technique for tire contact problems

NASA Technical Reports Server (NTRS)

Noor, Ahmed K.; Peters, Jeanne M.

1995-01-01

A reduction technique and a computational procedure are presented for predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of the reduction technique, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface.

Modelling of dynamic contact length in rail grinding process

NASA Astrophysics Data System (ADS)

Zhi, Shaodan; Li, Jianyong; Zarembski, A. M.

2014-09-01

Rails endure frequent dynamic loads from the passing trains for supporting trains and guiding wheels. The accumulated stress concentrations will cause the plastic deformation of rail towards generating corrugations, contact fatigue cracks and also other defects, resulting in more dangerous status even the derailment risks. So the rail grinding technology has been invented with rotating grinding stones pressed on the rail with defects removal. Such rail grinding works are directed by experiences rather than scientifically guidance, lacking of flexible and scientific operating methods. With grinding control unit holding the grinding stones, the rail grinding process has the characteristics not only the surface grinding but also the running railway vehicles. First of all, it's important to analyze the contact length between the grinding stone and the rail, because the contact length is a critical parameter to measure the grinding capabilities of stones. Moreover, it's needed to build up models of railway vehicle unit bonded with the grinding stone to represent the rail grinding car. Therefore the theoretical model for contact length is developed based on the geometrical analysis. And the calculating models are improved considering the grinding car's dynamic behaviors during the grinding process. Eventually, results are obtained based on the models by taking both the operation parameters and the structure parameters into the calculation, which are suitable for revealing the process of rail grinding by combining the grinding mechanism and the railway vehicle systems.

Integrating epigenomic data and 3D genomic structure with a new measure of chromatin assortativity.

PubMed

Pancaldi, Vera; Carrillo-de-Santa-Pau, Enrique; Javierre, Biola Maria; Juan, David; Fraser, Peter; Spivakov, Mikhail; Valencia, Alfonso; Rico, Daniel

2016-07-08

Network analysis is a powerful way of modeling chromatin interactions. Assortativity is a network property used in social sciences to identify factors affecting how people establish social ties. We propose a new approach, using chromatin assortativity, to integrate the epigenomic landscape of a specific cell type with its chromatin interaction network and thus investigate which proteins or chromatin marks mediate genomic contacts. We use high-resolution promoter capture Hi-C and Hi-Cap data as well as ChIA-PET data from mouse embryonic stem cells to investigate promoter-centered chromatin interaction networks and calculate the presence of specific epigenomic features in the chromatin fragments constituting the nodes of the network. We estimate the association of these features with the topology of four chromatin interaction networks and identify features localized in connected areas of the network. Polycomb group proteins and associated histone marks are the features with the highest chromatin assortativity in promoter-centered networks. We then ask which features distinguish contacts amongst promoters from contacts between promoters and other genomic elements. We observe higher chromatin assortativity of the actively elongating form of RNA polymerase 2 (RNAPII) compared with inactive forms only in interactions between promoters and other elements. Contacts among promoters and between promoters and other elements have different characteristic epigenomic features. We identify a possible role for the elongating form of RNAPII in mediating interactions among promoters, enhancers, and transcribed gene bodies. Our approach facilitates the study of multiple genome-wide epigenomic profiles, considering network topology and allowing the comparison of chromatin interaction networks.

A Measure of the Auditory-perceptual Quality of Strain from Electroglottographic Analysis of Continuous Dysphonic Speech: Application to Adductor Spasmodic Dysphonia.

PubMed

Somanath, Keerthan; Mau, Ted

2016-11-01

(1) To develop an automated algorithm to analyze electroglottographic (EGG) signal in continuous dysphonic speech, and (2) to identify EGG waveform parameters that correlate with the auditory-perceptual quality of strain in the speech of patients with adductor spasmodic dysphonia (ADSD). Software development with application in a prospective controlled study. EGG was recorded from 12 normal speakers and 12 subjects with ADSD reading excerpts from the Rainbow Passage. Data were processed by a new algorithm developed with the specific goal of analyzing continuous dysphonic speech. The contact quotient, pulse width, a new parameter peak skew, and various contact closing slope quotient and contact opening slope quotient measures were extracted. EGG parameters were compared between normal and ADSD speech. Within the ADSD group, intra-subject comparison was also made between perceptually strained syllables and unstrained syllables. The opening slope quotient SO7525 distinguished strained syllables from unstrained syllables in continuous speech within individual subjects with ADSD. The standard deviations, but not the means, of contact quotient, EGGW50, peak skew, and SO7525 were different between normal and ADSD speakers. The strain-stress pattern in continuous speech can be visualized as color gradients based on the variation of EGG parameter values. EGG parameters may provide a within-subject measure of vocal strain and serve as a marker for treatment response. The addition of EGG to multidimensional assessment may lead to improved characterization of the voice disturbance in ADSD. Copyright © 2016 The Voice Foundation. Published by Elsevier Inc. All rights reserved.

A new strategy for imaging biomolecular events through interactions between liquid crystals and oil-in-water emulsions.

PubMed

Hu, Qiong-Zheng; Jang, Chang-Hyun

2012-11-21

In this study, we demonstrate a new strategy to image biomolecular events through interactions between liquid crystals (LCs) and oil-in-water emulsions. The optical response had a dark appearance when a nematic LC, 4-cyano-4'-pentylbiphenyl (5CB), is in contact with emulsion droplets of glyceryl trioleate (GT). In contrast, the optical response had a bright appearance when 5CB is in contact with GT emulsions decorated with surfactants such as sodium oleate. Since lipase can hydrolyze GT and produce oleic acid, the optical response also displays a bright appearance after 5CB has been in contact with a mixture of lipase and GT emulsions. These results indicate the feasibility of monitoring biomolecular events through interactions between LCs and oil-in-water emulsions.

Tracking control of time-varying knee exoskeleton disturbed by interaction torque.

PubMed

Li, Zhan; Ma, Wenhao; Yin, Ziguang; Guo, Hongliang

2017-11-01

Knee exoskeletons have been increasingly applied as assistive devices to help lower-extremity impaired people to make their knee joints move through providing external movement compensation. Tracking control of knee exoskeletons guided by human intentions often encounters time-varying (time-dependent) issues and the disturbance interaction torque, which may dramatically put an influence up on their dynamic behaviors. Inertial and viscous parameters of knee exoskeletons can be estimated to be time-varying due to unexpected mechanical vibrations and contact interactions. Moreover, the interaction torque produced from knee joint of wearers has an evident disturbance effect on regular motions of knee exoskeleton. All of these points can increase difficultly of accurate control of knee exoskeletons to follow desired joint angle trajectories. This paper proposes a novel control strategy for controlling knee exoskeleton with time-varying inertial and viscous coefficients disturbed by interaction torque. Such designed controller is able to make the tracking error of joint angle of knee exoskeletons exponentially converge to zero. Meanwhile, the proposed approach is robust to guarantee the tracking error bounded when the interaction torque exists. Illustrative simulation and experiment results are presented to show efficiency of the proposed controller. Additionally, comparisons with gradient dynamic (GD) approach and other methods are also presented to demonstrate efficiency and superiority of the proposed control strategy for tracking joint angle of knee exoskeleton. Copyright © 2017 ISA. Published by Elsevier Ltd. All rights reserved.

Comparative analysis of methods for modeling the penetration and plane-parallel motion of conical projectiles in soil

NASA Astrophysics Data System (ADS)

Bazhenov, V. G.; Bragov, A. M.; Konstantinov, A. Yu.; Kotov, V. L.

2015-05-01

This paper presents an analysis of the accuracy of known and new modeling methods using the hypothesis of local and plane sections for solution of problems of the impact and plane-parallel motion of conical bodies at an angle to the free surface of the half-space occupied by elastoplastic soil. The parameters of the local interaction model that is quadratic in velocity are determined by solving the one-dimensional problem of the expansion of a spherical cavity. Axisymmetric problems for each of the meridional section are solved simultaneously neglecting mass and momentum transfer in the circumferential direction and using an approach based on the hypothesis of plane sections. The dynamic and kinematic parameters of oblique penetration obtained using modified models are compared with the results of computer simulation in a three-dimensional formulation. The results obtained with regard to the contact stress distribution along the generator of the pointed cone are in satisfactory agreement.

Analysis of the interaction of an electron beam with a solar cell. III - The effect of spacial variations of the number density of recombination centers on SEM measurements

NASA Technical Reports Server (NTRS)

Von Roos, O.

1979-01-01

By means of an exactly soluble model the short circuit current generated by a scanning electron microscope in a P-N junction has been determined in cases where the trap density is inhomogeneous. The diffusion length for minority carriers becomes then dependent on the spacial coordinates. It is shown that in this case the dependence of the Isc on characteristic parameters as cell thickness, distance of the beam excitation spot from ohmic contacts, etc., becomes very intricate. This fact precludes the determination of the local diffusion length in the usual manner. Although the model is somewhat simplified in order to make it amenable to exact solutions, it is nevertheless realistic enough to lead to the conclusion that SEM measurements of bulk transport parameters in inhomogeneous semiconductor material are impractical since they may lead to serious errors in the interpretation of the data by customary means.

Characteristics of activated carbon and carbon nanotubes as adsorbents to remove annatto (norbixin) in cheese whey.

PubMed

Zhang, Yue; Pan, Kang; Zhong, Qixin

2013-09-25

Removing annatto from cheese whey without bleaching has potential to improve whey protein quality. In this work, the potential of two activated carbon products and multiwalled carbon nanotubes (CNT) was studied for extracting annatto (norbixin) in aqueous solutions. Batch adsorption experiments were studied for the effects of solution pH, adsorbent mass, contact duration, and ionic strength. The equilibrium adsorption data were observed to fit both Langmuir and Freundlich isotherm models. The thermodynamic parameters estimated from adsorption isotherms demonstrated that the adsorption of norbixin on three adsorbents is exothermic, and the entropic contribution differs with adsorbent structure. The adsorption kinetics, with CNT showing a higher rate than activated carbon, followed the pseudo first order and second order rate expressions and demonstrated the significance of intraparticle diffusion. Electrostatic interactions were observed to be significant in the adsorption. The established adsorption parameters may be used in the dairy industry to decolorize cheese whey without applying bleaching agents.

Mechanical stress as a regulator of cell motility

NASA Astrophysics Data System (ADS)

Putelat, T.; Recho, P.; Truskinovsky, L.

2018-01-01

The motility of a cell can be triggered or inhibited not only by an applied force but also by a mechanically neutral force couple. This type of loading, represented by an applied stress and commonly interpreted as either squeezing or stretching, can originate from extrinsic interaction of a cell with its neighbors. To quantify the effect of applied stresses on cell motility we use an analytically transparent one-dimensional model accounting for active myosin contraction and induced actin turnover. We show that stretching can polarize static cells and initiate cell motility while squeezing can symmetrize and arrest moving cells. We show further that sufficiently strong squeezing can lead to the loss of cell integrity. The overall behavior of the system depends on the two dimensionless parameters characterizing internal driving (chemical activity) and external loading (applied stress). We construct a phase diagram in this parameter space distinguishing between static, motile, and collapsed states. The obtained results are relevant for the mechanical understanding of contact inhibition and the epithelial-to-mesenchymal transition.

Hydrodynamics of isotropic and liquid crystalline active polymer solutions.

PubMed

Ahmadi, Aphrodite; Marchetti, M C; Liverpool, T B

2006-12-01

We describe the large-scale collective behavior of solutions of polar biofilaments and stationary and mobile crosslinkers. Both mobile and stationary crosslinkers induce filament alignment promoting either polar or nematic order. In addition, mobile crosslinkers, such as clusters of motor proteins, exchange forces and torques among the filaments and render the homogeneous states unstable via filament bundling. We start from a Smoluchowski equation for rigid filaments in solutions, where pairwise crosslink-mediated interactions among the filaments yield translational and rotational currents. The large-scale properties of the system are described in terms of continuum equations for filament and motor densities, polarization, and alignment tensor obtained by coarse-graining the Smoluchovski equation. The possible homogeneous and inhomogeneous states of the systems are obtained as stable solutions of the dynamical equations and are characterized in terms of experimentally accessible parameters. We make contact with work by other authors and show that our model allows for an estimate of the various parameters in the hydrodynamic equations in terms of physical properties of the crosslinkers.

Elastohydrodynamics of elliptical contacts for materials of low elastic modulus

NASA Technical Reports Server (NTRS)

Hamrock, B. J.; Dowson, D.

1983-01-01

The influence of the ellipticity parameter k and the dimensionless speed U, load W, and materials G parameters on minimum film thickness for materials of low elastic modulus was investigated. The ellipticity parameter was varied from 1 (a ball-on-plane configuration) to 12 (a configuration approaching a line contact); U and W were each varied by one order of magnitude. Seventeen cases were used to generate the minimum- and central-film-thickness relations. The influence of lubricant starvation on minimum film thickness in starved elliptical, elastohydrodynamic configurations was also investigated for materials of low elastic modulus. Lubricant starvation was studied simply by moving the inlet boundary closer to the center of the conjunction in the numerical solutions. Contour plots of pressure and film thickness in and around the contact were presented for both fully flooded and starved lubrication conditions. It is evident from these figures that the inlet pressure contours become less circular and closer to the edge of the Hertzian contact zone and that the film thickness decreases substantially as the serverity of starvation increases. The results presented reveal the essential features of both fully flooded and starved, elliptical, elastohydrodynamic conjunctions for materials of low elastic modulus.

Characterization of chemical agent transport in paints.

PubMed

Willis, Matthew P; Gordon, Wesley; Lalain, Teri; Mantooth, Brent

2013-09-15

A combination of vacuum-based vapor emission measurements with a mass transport model was employed to determine the interaction of chemical warfare agents with various materials, including transport parameters of agents in paints. Accurate determination of mass transport parameters enables the simulation of the chemical agent distribution in a material for decontaminant performance modeling. The evaluation was performed with the chemical warfare agents bis(2-chloroethyl) sulfide (distilled mustard, known as the chemical warfare blister agent HD) and O-ethyl S-[2-(diisopropylamino)ethyl] methylphosphonothioate (VX), an organophosphate nerve agent, deposited on to two different types of polyurethane paint coatings. The results demonstrated alignment between the experimentally measured vapor emission flux and the predicted vapor flux. Mass transport modeling demonstrated rapid transport of VX into the coatings; VX penetrated through the aliphatic polyurethane-based coating (100 μm) within approximately 107 min. By comparison, while HD was more soluble in the coatings, the penetration depth in the coatings was approximately 2× lower than VX. Applications of mass transport parameters include the ability to predict agent uptake, and subsequent long-term vapor emission or contact transfer where the agent could present exposure risks. Additionally, these parameters and model enable the ability to perform decontamination modeling to predict how decontaminants remove agent from these materials. Published by Elsevier B.V.

A Procedure for Determining Tire-Road Friction Characteristics Using a Modification of the Magic Formula Based on Experimental Results

PubMed Central

Pérez, Javier; Velasco, Juan M.; Guerra, Antonio J.; Hernández, Pedro

2018-01-01

Knowledge of tire-road friction characteristics is essential for the proper performance of most relevant vehicle active safety systems. Therefore, its determination is necessary to improve the effectiveness of these systems and to avoid or reduce the consequences of traffic accidents. For this reason, there is a great deal of literature concerning methods and devices for measuring and modeling tire-road friction. Most of these methods have focused on determining the road friction resistance, taking only road composition and making measurements in wet conditions into account. However, friction forces are also dependent on the tire type, since the contact is established between the tire and the road in real driving conditions. Thus, the type and characteristics of the tire have to be considered in the study of the interaction between the vehicle and the road. The aim of this work is to unify the study of the friction coefficient, taking into consideration the two existing bodies involved in the contact, i.e., the tire and road and the main factors that influence the forces in the contact. To this end, a modification of the Pacejka Magic Formula is proposed to include the effects of the main parameters that influence the contact, such as road composition and its state, tire type, vehicle speed, and slip between the tire and the road. To do so, real tests have been conducted on several roads and with different operating conditions. As a result, a more accurate tire-road friction model has been obtained. PMID:29562623

A Procedure for Determining Tire-Road Friction Characteristics Using a Modification of the Magic Formula Based on Experimental Results.

PubMed

Cabrera, Juan A; Castillo, Juan J; Pérez, Javier; Velasco, Juan M; Guerra, Antonio J; Hernández, Pedro

2018-03-17

Knowledge of tire-road friction characteristics is essential for the proper performance of most relevant vehicle active safety systems. Therefore, its determination is necessary to improve the effectiveness of these systems and to avoid or reduce the consequences of traffic accidents. For this reason, there is a great deal of literature concerning methods and devices for measuring and modeling tire-road friction. Most of these methods have focused on determining the road friction resistance, taking only road composition and making measurements in wet conditions into account. However, friction forces are also dependent on the tire type, since the contact is established between the tire and the road in real driving conditions. Thus, the type and characteristics of the tire have to be considered in the study of the interaction between the vehicle and the road. The aim of this work is to unify the study of the friction coefficient, taking into consideration the two existing bodies involved in the contact, i.e., the tire and road and the main factors that influence the forces in the contact. To this end, a modification of the Pacejka Magic Formula is proposed to include the effects of the main parameters that influence the contact, such as road composition and its state, tire type, vehicle speed, and slip between the tire and the road. To do so, real tests have been conducted on several roads and with different operating conditions. As a result, a more accurate tire-road friction model has been obtained.

[Study of Interaction between Fluorinated Coating Glass and the Medicines].

PubMed

Kawano, Yayoi; Otsu, Saki; Bamba, Takao; Hanawa, Takehisa

2017-11-01

 The adsorption of active pharmaceutical ingredients on the surface of medical devices such as polyvinl chloride, ethylene-vinyl acetate copolymer and glass often prevent the acuurate dose of drug. At dispensing of pharmaceuticals, mètre glass (MG) has been widely used for dispensing syrup. When measuring the viscous syrup, it often takes long time to dispense the accurate volume due to their adhesiveness on the glass surface. In this study, we investigate the adhesion of various syrups to MG made with uncoated glass or glass with a strongly hydrophobic silicone or fluorinated coating in terms of the following formulation parameters: viscosity, surface tension, contact angle, and surface free energy. The contact angles for syrups on the coated glass surfaces were significantly higher than those on the uncoated glass surface. In addition, the relationship between surface tension and contact angle was examined. We found that the contact angle was independent of surface tension for the uncoated glass, while it increased with increasing surface tension for the coated glasses. These results can be explained as follows: the silicone or fluorinated coatings inhibit the hydrogen bonding that usually takes place between water and silanol and siloxane groups at glass surfaces. The coatings reduced the surface free energy and increased the hydrophobicity of the glass, reduced its wettability by the syrups, and thus reduced the adhesion loss for the syrups. It was considered that as for the hydrophobic action, properties of matter of sample influence the coated device by coating in order that it is reinforced.

Pattern formation and self-organization in plasmas interacting with surfaces

NASA Astrophysics Data System (ADS)

Trelles, Juan Pablo

2016-10-01

Pattern formation and self-organization are fascinating phenomena commonly observed in diverse types of biological, chemical and physical systems, including plasmas. These phenomena are often responsible for the occurrence of coherent structures found in nature, such as recirculation cells and spot arrangements; and their understanding and control can have important implications in technology, e.g. from determining the uniformity of plasma surface treatments to electrode erosion rates. This review comprises theoretical, computational and experimental investigations of the formation of spatiotemporal patterns that result from self-organization events due to the interaction of low-temperature plasmas in contact with confining or intervening surfaces, particularly electrodes. The basic definitions associated to pattern formation and self-organization are provided, as well as some of the characteristics of these phenomena within natural and technological contexts, especially those specific to plasmas. Phenomenological aspects of pattern formation include the competition between production/forcing and dissipation/transport processes, as well as nonequilibrium, stability, bifurcation and nonlinear interactions. The mathematical modeling of pattern formation in plasmas has encompassed from theoretical approaches and canonical models, such as reaction-diffusion systems, to drift-diffusion and nonequilibrium fluid flow models. The computational simulation of pattern formation phenomena imposes distinct challenges to numerical methods, such as high sensitivity to numerical approximations and the occurrence of multiple solutions. Representative experimental and numerical investigations of pattern formation and self-organization in diverse types of low-temperature electrical discharges (low and high pressure glow, dielectric barrier and arc discharges, etc) in contact with solid and liquid electrodes are reviewed. Notably, plasmas in contact with liquids, found in diverse emerging applications ranging from nanomaterial synthesis to medicine, show marked sensitivity to pattern formation and a broadened range of controlling parameters. The results related to the characteristics of the patterns, such as their geometric configuration and static or dynamic nature; as well as their controlling factors, including gas composition, driving voltage and current, electrode cooling, and imposed gas flow, are summarized and discussed. The article finalizes with an outlook of the research area, including theoretical, computational, and experimental needs to advance the field.

Response of jammed packings to thermal fluctuations

NASA Astrophysics Data System (ADS)

Wu, Qikai; Bertrand, Thibault; Shattuck, Mark D.; O'Hern, Corey S.

2017-12-01

We focus on the response of mechanically stable (MS) packings of frictionless, bidisperse disks to thermal fluctuations, with the aim of quantifying how nonlinearities affect system properties at finite temperature. In contrast, numerous prior studies characterized the structural and mechanical properties of MS packings of frictionless spherical particles at zero temperature. Packings of disks with purely repulsive contact interactions possess two main types of nonlinearities, one from the form of the interaction potential (e.g., either linear or Hertzian spring interactions) and one from the breaking (or forming) of interparticle contacts. To identify the temperature regime at which the contact-breaking nonlinearities begin to contribute, we first calculated the minimum temperatures Tc b required to break a single contact in the MS packing for both single- and multiple-eigenmode perturbations of the T =0 MS packing. We find that the temperature required to break a single contact for equal velocity-amplitude perturbations involving all eigenmodes approaches the minimum value obtained for a perturbation in the direction connecting disk pairs with the smallest overlap. We then studied deviations in the constant volume specific heat C¯V and deviations of the average disk positions Δ r from their T =0 values in the temperature regime TC ¯V100 for linear spring interactions is independent of system size. This result emphasizes that contact-breaking nonlinearities are dominant over form nonlinearities in the low-temperature range Tc b

Intermolecular Interactions and Electrostatic Properties of the [beta]-Hydroquinone Apohost: Implications for Supramolecular Chemistry

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

Clausen, Henrik F.; Chen, Yu-Sheng; Jayatilaka, Dylan

2012-02-07

The crystal structure of the {beta}-polymorph of hydroquinone ({beta}-HQ), the apohost of a large family of clathrates, is reported with a specific focus on intermolecular interactions and the electrostatic nature of its cavity. Hirshfeld surface analysis reveals subtle close contacts between two interconnecting HQ networks, and the local packing and related close contacts were examined by breakdown of the fingerprint plot. An experimental multipole model containing anisotropic thermal parameters for hydrogen atoms has been successfully refined against 15(2) K single microcrystal synchrotron X-ray diffraction data. The experimental electron density model has been compared with a theoretical electron density calculated withmore » the molecule embedded in its own crystal field. Hirshfeld charges, interaction energies and the electrostatic potential calculated for both models are qualitatively in good agreement, but small differences in the electrostatic potential persist due to charge transfer from all hydrogen atoms to the oxygen atoms in the theoretical model. The electrostatic potential in the center of the cavity is positive, very shallow and highly symmetric, suggesting that the inclusion of polar molecules in the void will involve a balance between opposing effects. The electric field is by symmetry zero in the center of the cavity, increasing to a value of 0.0185 e/{angstrom}{sup 2} (0.27 V/{angstrom}) 1 {angstrom} along the 3-fold axis and 0.0105 e/{angstrom}{sup 2} (0.15 V/{angstrom}) 1 {angstrom} along the perpendicular direction. While these values are substantial in a macroscopic context, they are quite small for a molecular cavity and are not expected to strongly polarize a guest molecule.« less

Social Contact and Loneliness in a University Population.

ERIC Educational Resources Information Center

Corty, Eric; Young, Richard David

To explore the relation between social contact and loneliness in a college student population, 40 male and 41 female undergraduates kept daily calendars of social contacts, recorded their activities for one week, and completed inventories on feelings and social interactions. A replication study involved 64 male undergraduates. The absolute level…

The plant pathogenic fungus Gaeumannomyces graminis var. tritici improves bacterial growth and triggers early gene regulations in the biocontrol strain Pseudomonas fluorescens Pf29Arp.

PubMed

Barret, M; Frey-Klett, P; Boutin, M; Guillerm-Erckelboudt, A-Y; Martin, F; Guillot, L; Sarniguet, A

2009-01-01

In soil, some antagonistic rhizobacteria contribute to reduce root diseases caused by phytopathogenic fungi. Direct modes of action of these bacteria have been largely explored; however, commensal interaction also takes place between these microorganisms and little is known about the influence of filamentous fungi on bacteria. An in vitro confrontation bioassay between the pathogenic fungus Gaeumannomyces graminis var. tritici (Ggt) and the biocontrol bacterial strain Pseudomonas fluorescens Pf29Arp was set up to analyse bacterial transcriptional changes induced by the fungal mycelium at three time-points of the interaction before cell contact and up until contact. For this, a Pf29Arp shotgun DNA microarray was constructed. Specifity of Ggt effect was assessed in comparison with one of two other filamentous fungi, Laccaria bicolor and Magnaporthe grisea. During a commensal interaction, Ggt increased the growth rate of Pf29Arp. Before contact, Ggt induced bacterial genes involved in mycelium colonization. At contact, genes encoding protein of stress response and a patatin-like protein were up-regulated. Among all the bacterial genes identified, xseB was specifically up-regulated at contact by Ggt but down-regulated by the other fungi. Data showed that the bacterium sensed the presence of the fungus early, but the main gene alteration occurred during bacterial-fungal cell contact.

Biosorption of Congo Red from aqueous solution onto burned root of Eichhornia crassipes biomass

NASA Astrophysics Data System (ADS)

Roy, Tapas Kumar; Mondal, Naba Kumar

2017-07-01

Biosorption is becoming a promising alternative to replace or supplement the present dye removal processes from dye containing waste water. In this work, adsorption of Congo Red (CR) from aqueous solution on burned root of Eichhornia crassipes ( BREC) biomass was investigated. A series of batch experiments were performed utilizing BREC biomass to remove CR dye from aqueous systems. Under optimized batch conditions, the BREC could remove up to 94.35 % of CR from waste water. The effects of operating parameters such as initial concentration, pH, adsorbent dose and contact time on the adsorption of CR were analyzed using response surface methodology. The proposed quadratic model for central composite design fitted very well to the experimental data. Response surface plots were used to determine the interaction effects of main factors and optimum conditions of the process. The optimum adsorption conditions were found to be initial CR concentration = 5 mg/L-1, pH = 7, adsorbent dose = 0.125 g and contact time = 45 min. The experimental isotherms data were analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich (D-R) isotherm equations and the results indicated that the Freundlich isotherm showed a better fit for CR adsorption. Thermodynamic parameters were calculated from Van't Hoff plot, confirming that the adsorption process was spontaneous and exothermic. The high CR adsorptive removal ability and regeneration efficiency of this adsorbent suggest its applicability in industrial/household systems and data generated would help in further upscaling of the adsorption process.

Multiscale modeling of the dynamics of multicellular systems

NASA Astrophysics Data System (ADS)

Kosztin, Ioan

2011-03-01

Describing the biomechanical properties of cellular systems, regarded as complex highly viscoelastic materials, is a difficult problem of great conceptual and practical value. Here we present a novel approach, referred to as the Cellular Particle Dynamics (CPD) method, for: (i) quantitatively relating biomechanical properties at the cell level to those at the multicellular and tissue level, and (ii) describing and predicting the time evolution of multicellular systems that undergo biomechanical relaxations. In CPD cells are modeled as an ensemble of cellular particles (CPs) that interact via short range contact interactions, characterized by an attractive (adhesive interaction) and a repulsive (excluded volume interaction) component. The time evolution of the spatial conformation of the multicellular system is determined by following the trajectories of all CPs through integration of their equations of motion. Cell and multicellular level biomechanical properties (e.g., viscosity, surface tension and shear modulus) are determined through the combined use of experiments and theory of continuum viscoelastic media. The same biomechanical properties are also ``measured'' computationally by employing the CPD method, the results being expressed in terms of CPD parameters. Once these parameters have been calibrated experimentally, the formalism provides a systematic framework to predict the time evolution of complex multicellular systems during shape-changing biomechanical transformations. By design, the CPD method is rather flexible and most suitable for multiscale modeling of multicellular system. The spatial level of detail of the system can be easily tuned by changing the number of CPs in a cell. Thus, CPD can be used equally well to describe both cell level processes (e.g., the adhesion of two cells) and tissue level processes (e.g., the formation of 3D constructs of millions of cells through bioprinting). Work supported by NSF [FIBR-0526854 and PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

The reachability of contagion in temporal contact networks: how disease latency can exploit the rhythm of human behavior.

PubMed

Colman, Ewan; Spies, Kristen; Bansal, Shweta

2018-05-15

The symptoms of many infectious diseases influence their host to withdraw from social activity limiting their potential to spread. Successful transmission therefore requires the onset of infectiousness to coincide with a time when the host is socially active. Since social activity and infectiousness are both temporal phenomena, we hypothesize that diseases are most pervasive when these two processes are synchronized. We consider disease dynamics that incorporate behavioral responses that effectively shorten the infectious period of the pathogen. Using data collected from face-to-face social interactions and synthetic contact networks constructed from empirical demographic data, we measure the reachability of this disease model and perform disease simulations over a range of latent period durations. We find that maximum transmission risk results when the disease latent period (and thus the generation time) are synchronized with human circadian rhythms of 24 h, and minimum transmission risk when latent periods are out of phase with circadian rhythms by 12 h. The effect of this synchronization is present for a range of disease models with realistic disease parameters and host behavioral responses. The reproductive potential of pathogens is linked inextricably to the host social behavior required for transmission. We propose that future work should consider contact periodicity in models of disease dynamics, and suggest the possibility that disease control strategies may be designed to optimize against the effects of synchronization.

Sequence walkers: a graphical method to display how binding proteins interact with DNA or RNA sequences | Center for Cancer Research

Cancer.gov

A graphical method is presented for displaying how binding proteins and other macromolecules interact with individual bases of nucleotide sequences. Characters representing the sequence are either oriented normally and placed above a line indicating favorable contact, or upside-down and placed below the line indicating unfavorable contact. The positive or negative height of

Contact interaction between a layered foundation and a system of annular punches with complex base shapes

NASA Astrophysics Data System (ADS)

Kazakov, K. E.; Kurdina, S. P.

2018-04-01

We study the contact interaction between a system of rigid annular punches and a viscoelastic two-layer foundation. The upper layer is thin compared with the punch width. We study the case where the punch shapes are described by a rapidly varying functions. We use special methods for constructing the solutions, because the standard methods are inefficient.

Experimental evidence of solitary wave interaction in Hertzian chains

NASA Astrophysics Data System (ADS)

Santibanez, Francisco; Munoz, Romina; Caussarieu, Aude; Job, Stéphane; Melo, Francisco

2011-08-01

We study experimentally the interaction between two solitary waves that approach one another in a linear chain of spheres interacting via the Hertz potential. When these counterpropagating waves collide, they cross each other and a phase shift in respect to the noninteracting waves is introduced as a result of the nonlinear interaction potential. This observation is well reproduced by our numerical simulations and is shown to be independent of viscoelastic dissipation at the bead contact. In addition, when the collision of equal amplitude and synchronized counterpropagating waves takes place, we observe that two secondary solitary waves emerge from the interacting region. The amplitude of the secondary solitary waves is proportional to the amplitude of incident waves. However, secondary solitary waves are stronger when the collision occurs at the middle contact in chains with an even number of beads. Although numerical simulations correctly predict the existence of these waves, experiments show that their respective amplitudes are significantly larger than predicted. We attribute this discrepancy to the rolling friction at the bead contact during solitary wave propagation.

Molecular charge distribution and dispersion of electronic states in the contact layer between pentacene and Cu(119) and beyond

NASA Astrophysics Data System (ADS)

Annese, E.; Fujii, J.; Baldacchini, C.; Zhou, B.; Viol, C. E.; Vobornik, I.; Betti, M. G.; Rossi, G.

2008-05-01

The interaction of pentacene molecules in contact with the Cu(119) stepped surface has been directly imaged by scanning tunneling microscopy and analyzed by angle resolved photoemission spectroscopy. Interacting molecules, which are in contact with copper, generate dispersive electronic states associated with a perturbed electron charge density distribution of the molecular orbitals. In contrast, the electron charge density of molecules of the pentacene on top of the first layer, which is not in direct contact with the Cu surface, shows an intramolecular structure very similar to that of the free molecule. Our results indicate that the delocalization of the molecular states in the pentacene/Cu system is confined to the very first molecular layer at the interface.

Experimental Study on the Interaction Between Contacting Barrier Materials for Containment of Radioactive Wastes

NASA Astrophysics Data System (ADS)

Huang, W. H.; Chang, H. C.

2017-12-01

The disposal of low- and intermediate-level radioactive wastes requires use of multi-barriers for isolation of the wastes from the biosphere. Typically, the engineered barriers are composed of a concrete vault, buffer and backfill materials. Zhishin clay and Black Hill bentonite were used as raw clay material in making buffer and backfill materials in this study. These clays were compacted to make buffer material, or mixed with Taitung area argillite to produce backfill material for potential application as barriers for the disposal of low- and intermediate-level radioactive wastes. The interaction between concrete barrier and the buffer/backfill material is simulated by an accelerated migration test to investigate the effect of contacting concrete on the expected functions of buffer/backfill material. The results show buffer material close to the contact with concrete exhibits significant change in the ratio of calcium/sodium exchange capacity, due to the move of calcium ions released from the concrete. The shorter the distance from the contacting interface, the ratio of the calcium/sodium concentration in buffer/backfill materials increases. The longer the distance from the interface, the effect of the contact on alteration in clays become less significant. Also, some decreases in swelling capacity in the buffer/backfill material near the concrete-backfill interface are noted. Finally, a comparison is made between Zhisin clay and Balck Hill bentonite on the interaction between concrete and the two clays. Black Hill bentonite was found to be influenced more by the interaction, because of the higher content of montmorillonite. On the other hand, being a mixture of clay and sand, backfill material is less affected by the decalsification of concrete at the contact than buffer material.

Analysis of hand contact areas and interaction capabilities during manipulation and exploration.

PubMed

Gonzalez, Franck; Gosselin, Florian; Bachta, Wael

2014-01-01

Manual human-computer interfaces for virtual reality are designed to allow an operator interacting with a computer simulation as naturally as possible. Dexterous haptic interfaces are the best suited for this goal. They give intuitive and efficient control on the environment with haptic and tactile feedback. This paper is aimed at helping in the choice of the interaction areas to be taken into account in the design of such interfaces. The literature dealing with hand interactions is first reviewed in order to point out the contact areas involved in exploration and manipulation tasks. Their frequencies of use are then extracted from existing recordings. The results are gathered in an original graphical interaction map allowing for a simple visualization of the way the hand is used, and compared with a map of mechanoreceptors densities. Then an interaction tree, mapping the relative amount of actions made available through the use of a given contact area, is built and correlated with the losses of hand function induced by amputations. A rating of some existing haptic interfaces and guidelines for their design are finally achieved to illustrate a possible use of the developed graphical tools.

Cryptic effects of habitat declines: coral-associated fishes avoid coral-seaweed interactions due to visual and chemical cues.

PubMed

Brooker, Rohan M; Brandl, Simon J; Dixson, Danielle L

2016-01-04

Seaweed-dominated coral reefs are becoming increasingly common as environmental conditions shift away from those required by corals and toward those ideal for rampant seaweed growth. How coral-associated organisms respond to seaweed will not only impact their fate following environmental change but potentially also the trajectories of the coral communities on which they rely. However, behavioral responses by coral-associated organisms to seaweeds are poorly understood. This study examined interactions between a guild of obligate and opportunistic coral-feeding butterflyfishes (Chaetodontidae) and scleractinian corals to determine whether fishes continue to interact with corals in contact with seaweed or if they are avoided. Under natural conditions, all species interacted almost exclusively with seaweed-free corals. In a controlled patch reef experiment, fishes avoided corals in physical contact with seaweed, irrespective of dietary preferences. When visual seaweed cues were removed, butterflyfish continued to avoid corals that had been in contact with the allelopathic Galaxaura filamentosa, suggesting that chemical cues produced by coral-seaweed interactions are repellent. These findings suggest that, due to deleterious visual and chemical cues produced by coral-seaweed interactions, coral-associated organisms may struggle to locate resources as seaweed-free corals decline in abundance.

Influence of Contact Angle Boundary Condition on CFD Simulation of T-Junction

NASA Astrophysics Data System (ADS)

Arias, S.; Montlaur, A.

2018-03-01

In this work, we study the influence of the contact angle boundary condition on 3D CFD simulations of the bubble generation process occurring in a capillary T-junction. Numerical simulations have been performed with the commercial Computational Fluid Dynamics solver ANSYS Fluent v15.0.7. Experimental results serve as a reference to validate numerical results for four independent parameters: the bubble generation frequency, volume, velocity and length. CFD simulations accurately reproduce experimental results both from qualitative and quantitative points of view. Numerical results are very sensitive to the gas-liquid-wall contact angle boundary conditions, confirming that this is a fundamental parameter to obtain accurate CFD results for simulations of this kind of problems.

Single-chip microcomputer for image processing in the photonic measuring system

NASA Astrophysics Data System (ADS)

Smoleva, Olga S.; Ljul, Natalia Y.

2002-04-01

The non-contact measuring system has been designed for rail- track parameters control on the Moscow Metro. It detects some significant parameters: rail-track width, rail-track height, gage, rail-slums, crosslevel, pickets, and car speed. The system consists of three subsystems: non-contact system of rail-track width, height, and gage inspection, non-contact system of rail-slums inspection and subsystem for crosslevel, speed, and pickets detection. Data from subsystems is transferred to pre-processing unit. In order to process data received from subsystems, the single-chip signal processor ADSP-2185 must be used due to providing required processing speed. After data will be processed, it is send to PC, which processes it and outputs it in the readable form.

RNA polymerase II conserved protein domains as platforms for protein-protein interactions

PubMed Central

García-López, M Carmen

2011-01-01

RNA polymerase II establishes many protein-protein interactions with transcriptional regulators to coordinate gene expression, but little is known about protein domains involved in the contact with them. We use a new approach to look for conserved regions of the RNA pol II of S. cerevisiae located at the surface of the structure of the complex, hypothesizing that they might be involved in the interaction with transcriptional regulators. We defined five different conserved domains and demonstrate that all of them make contact with transcriptional regulators. PMID:21922063

Elastohydrodynamic lubrication in point contact on the surfaces of particle-reinforced composite

NASA Astrophysics Data System (ADS)

Chen, Keying; Zeng, Liangcai; Wu, Zhenpeng; Zheng, Feilong

2018-04-01

Appreciable friction and serious wear are common challenges in the operation of advanced manufacturing equipment, and friction pairs may be susceptible to damage even with oil lubrication when point contact exists. In this study, a type of particle-reinforced composite material is introduced for one of the components of a heavy-load contact pair, and the performance improvement of elastohydrodynamic lubrication (EHL) is analyzed considering the rheological properties of non-Newtonian fluids. The Ree-Eyring EHL model is used considering the surface of the particle-reinforced composite, in which the film thickness includes the particle-induced elastic deformation. The problem of inclusions with different eigenstrains is solved by using Galerkin vectors. The influences of particle properties, size, burial depth, and interparticle distance on point-contact EHL are investigated. Furthermore, using several cases, the structural parameters of the particles in the composites are optimized, and an appropriate parameter range is obtained with the goal of reducing friction. Finally, the results for the EHL traction coefficient demonstrate that appropriate particle properties, size, burial depth, and interparticle distance can effectively reduce the traction coefficient in heavy-load contact.

The first multi-color photometric study of the short-period contact Eclipsing Binary DE Lyn

NASA Astrophysics Data System (ADS)

Hashimoto, Amanda; Zhang, Liyun; Han, Xianming L.; Hongpeng, Lu; Wang, Daimei

2016-01-01

We observed the contact eclipsing binary of DE Lyn using SARA 0.9 meter telescope at Kitt Peak National Observatory on February 9, 11, and 27, 2015. In this study, we obtained the first full phase coverage BVRI CCD light curves, analyzed the orbital period variation, and extracted the orbital parameters. We calculated the linear and quadratic ephemeris, and thereby found that DE Lyn has a decreasing orbital period rate of -5.1(±0.4)×10-7 days/year. We believe this decreasing trend is the result of the more massive component (secondary) transferring mass to the less massive component (primary), and we obtained a mass transfer rate of dm/dt = 7.06×10-7M⊙/year. By using the updated Wilson & Devinney program, we found the orbital parameters of DE Lyn, which, in turn, enabled us to calculate the low degree of contact factor as f = 9.02(± 0.01)%. Its degree of contact will continue to increase and will evolve into an over-contact system.

The first multi-color photometric study of the short-period contact eclipsing binary DE Lyn

NASA Astrophysics Data System (ADS)

Hashimoto, Amanda; Zhang, Liyun; Han, Xianming L.; Lu, Hongpeng; Wang, Daimei

2016-05-01

We observed the contact eclipsing binary of DE Lyn using SARA 0.9 m telescope at Kitt Peak National Observatory on February 9, 11, and 27, 2015. In this study, we obtained the first full phase coverage BVRI CCD light curves, analyzed the orbital period variation, and extracted the orbital parameters. We calculated the linear and quadratic ephemeris, and thereby found that DE Lyn has a decreasing orbital period rate of - 5.1(± 0.4) × 10-7 days/year. We assume this decreasing trend is the result of the more massive component (secondary) transferring mass to the less massive component (primary), and we obtained a mass transfer rate of dm / dt = 7.06 ×10-7M⊙ /year . By using the updated Wilson & Devinney program, we found the orbital parameters of DE Lyn, which, in turn, enabled us to calculate the low degree of contact factor as f = 9.02(± 0.01)%. In the future, its degree of contact will continue to increase and will evolve into an over-contact system.

Modeling viscous dissipation during vocal fold contact: the influence of tissue viscosity and thickness with implications for hydration.

PubMed

Erath, Byron D; Zañartu, Matías; Peterson, Sean D

2017-06-01

The mechanics of vocal fold contact during phonation is known to play a crucial role in both normal and pathological speech production, though the underlying physics is not well understood. Herein, a viscoelastic model of the stresses during vocal fold contact is developed. This model assumes the cover to be a poroelastic structure wherein interstitial fluid translocates in response to mechanical squeezing. The maximum interstitial fluid pressure is found to generally increase with decreasing viscous dissipation and/or decreasing tissue elasticity. A global minimum in the total contact stress, comprising interstitial fluid pressure and elastic stress in the tissue, is observed over the studied dimensionless parameter range. Interestingly, physiologically reasonable estimates for the governing parameters fall within this global minimum region. The model is validated against prior experimental and computational work, wherein the predicted contact stress magnitude and impact duration agree well with published results. Lastly, observations of the potential relationship between vocal fold hydration and increased risk of tissue damage are discussed based upon model predictions of stress as functions of cover layer thickness and viscosity.

Electric-field control of local ferromagnetism using a magnetoelectric multiferroic.

PubMed

Chu, Ying-Hao; Martin, Lane W; Holcomb, Mikel B; Gajek, Martin; Han, Shu-Jen; He, Qing; Balke, Nina; Yang, Chan-Ho; Lee, Donkoun; Hu, Wei; Zhan, Qian; Yang, Pei-Ling; Fraile-Rodríguez, Arantxa; Scholl, Andreas; Wang, Shan X; Ramesh, R

2008-06-01

Multiferroics are of interest for memory and logic device applications, as the coupling between ferroelectric and magnetic properties enables the dynamic interaction between these order parameters. Here, we report an approach to control and switch local ferromagnetism with an electric field using multiferroics. We use two types of electromagnetic coupling phenomenon that are manifested in heterostructures consisting of a ferromagnet in intimate contact with the multiferroic BiFeO(3). The first is an internal, magnetoelectric coupling between antiferromagnetism and ferroelectricity in the BiFeO(3) film that leads to electric-field control of the antiferromagnetic order. The second is based on exchange interactions at the interface between a ferromagnet (Co(0.9)Fe(0.1)) and the antiferromagnet. We have discovered a one-to-one mapping of the ferroelectric and ferromagnetic domains, mediated by the colinear coupling between the magnetization in the ferromagnet and the projection of the antiferromagnetic order in the multiferroic. Our preliminary experiments reveal the possibility to locally control ferromagnetism with an electric field.

Electric-field control of local ferromagnetism using a magnetoelectric multiferroic

NASA Astrophysics Data System (ADS)

Chu, Ying-Hao; Martin, Lane W.; Holcomb, Mikel B.; Gajek, Martin; Han, Shu-Jen; He, Qing; Balke, Nina; Yang, Chan-Ho; Lee, Donkoun; Hu, Wei; Zhan, Qian; Yang, Pei-Ling; Fraile-Rodríguez, Arantxa; Scholl, Andreas; Wang, Shan X.; Ramesh, R.

2008-06-01

Multiferroics are of interest for memory and logic device applications, as the coupling between ferroelectric and magnetic properties enables the dynamic interaction between these order parameters. Here, we report an approach to control and switch local ferromagnetism with an electric field using multiferroics. We use two types of electromagnetic coupling phenomenon that are manifested in heterostructures consisting of a ferromagnet in intimate contact with the multiferroic BiFeO3. The first is an internal, magnetoelectric coupling between antiferromagnetism and ferroelectricity in the BiFeO3 film that leads to electric-field control of the antiferromagnetic order. The second is based on exchange interactions at the interface between a ferromagnet (Co0.9Fe0.1) and the antiferromagnet. We have discovered a one-to-one mapping of the ferroelectric and ferromagnetic domains, mediated by the colinear coupling between the magnetization in the ferromagnet and the projection of the antiferromagnetic order in the multiferroic. Our preliminary experiments reveal the possibility to locally control ferromagnetism with an electric field.

Self-assembly of triangular particles via capillary interactions

NASA Astrophysics Data System (ADS)

Bedi, Deshpreet; Zhou, Shangnan; Ferrar, Joseph; Solomon, Michael; Mao, Xiaoming

Colloidal particles adsorbed to a fluid interface deform the interface around them, resulting in either attractive or repulsive forces mediated by the interface. In particular, particle shape and surface roughness can produce an undulating contact line, such that the particles will assume energetically-favorable relative orientations and inter-particle distances to minimize the excess interfacial surface area. By expediently selecting specific particle shapes and associated design parameters, capillary interactions can be utilized to promote self-assembly of these particles into extended regular open structures, such as the kagome lattice, which have novel mechanical properties. We present the results of numerical simulations of equilateral triangle microprisms at an interface, including individually and in pairs. We show how particle bowing can yield two distinct binding events and connect it to theory in terms of a capillary multipole expansion and also to experiment, as presented in an accompanying talk. We also discuss and suggest design principles that can be used to create desirable open structures.

A Study of the Use of Contact Loading to Simulate Low Velocity Impact

NASA Technical Reports Server (NTRS)

Highsmith, Alton L.

1997-01-01

Although numerous studies on the impact response of laminated composites have been conducted, there is as yet no agreement within the composites community on what parameter or parameters are adequate for quantifying the severity of an impact event. One of the more interesting approaches that has been proposed uses the maximum contact force during impact to "quantify" the severity of the impact event, provided that the impact velocity is sufficiently low. A significant advantage of this approach, should it prove to be reliable, is that quasi-static contact loading could be used to simulate low velocity impact. In principle, a single specimen, loaded quasi-statically to successively increasing contact loads could be used to map the entire spectrum of damage as a function of maximum contact force. The present study had as its objective assessing whether or not the maximum contact force during impact is a suitable parameter for characterizing an impact. The response of [+/-60/0(sub 4)/+/-60/0(sub 2)](sub s) laminates fabricated from Fiberite T300/934 graphite epoxy and subjected to quasi-static contact loading and to low velocity impact was studied. Three quasi-static contact load levels - 525 lb., 600 lb., and 675 lb. - were selected. Three impact energy levels - 1.14 ft.-lb., 2.0 ft.-lb., and 2.60 ft.-lb. - were chosen in an effort to produce impact events in which the maximum contact forces during the impact events were 525 lb., 600 lb., and 625 lb., respectively. Damage development was documented using dye-penetrant enhanced x-ray radiography. A digital image processing technique was used to obtain quantitative information about the damage zone. Although it was intended that the impact load levels produce maximum contact forces equal to those used in the quasi-static contact experiments, larger contact forces were developed during impact loading. In spite of this, the damage zones developed in impacted specimens were smaller than the damage zones developed in specimens subjected to the corresponding quasi-static contact loading. The impacted specimens may have a greater tendency to develop fiber fracture, but, at present, a quantitative assessment of fiber fracture is not available. In addressing whether or not contact force is an adequate metric for describing the severity of an impact event, the results of this study suggest that it is not. In cases where the quasi-static load level and the maximum contact force during impact were comparable, the quasi-statically loaded specimens consistently developed larger damage zones. It should be noted, however, that using quasi-static damage data to forecast the behavior of impacted material may give conservative estimates of the residual strength of impacted composites.

A parameters optimization method for planar joint clearance model and its application for dynamics simulation of reciprocating compressor

NASA Astrophysics Data System (ADS)

Hai-yang, Zhao; Min-qiang, Xu; Jin-dong, Wang; Yong-bo, Li

2015-05-01

In order to improve the accuracy of dynamics response simulation for mechanism with joint clearance, a parameter optimization method for planar joint clearance contact force model was presented in this paper, and the optimized parameters were applied to the dynamics response simulation for mechanism with oversized joint clearance fault. By studying the effect of increased clearance on the parameters of joint clearance contact force model, the relation of model parameters between different clearances was concluded. Then the dynamic equation of a two-stage reciprocating compressor with four joint clearances was developed using Lagrange method, and a multi-body dynamic model built in ADAMS software was used to solve this equation. To obtain a simulated dynamic response much closer to that of experimental tests, the parameters of joint clearance model, instead of using the designed values, were optimized by genetic algorithms approach. Finally, the optimized parameters were applied to simulate the dynamics response of model with oversized joint clearance fault according to the concluded parameter relation. The dynamics response of experimental test verified the effectiveness of this application.

Change of nonlinear acoustics in ASME grade 122 steel welded joint during creep

NASA Astrophysics Data System (ADS)

Ohtani, Toshihiro; Honma, Takumi; Ishii, Yutaka; Tabuchi, Masaaki; Hongo, Hiromichi; Hirao, Masahiko

2016-02-01

In this paper, we described the changes of two nonlinear acoustic characterizations; resonant frequency shift and three-wave interaction, with electromagnetic acoustic resonance (EMAR) throughout the creep life in the welded joints of ASME Grade 122, one of high Cr ferritic heat resisting steels. EMAR was a combination of the resonant acoustic technique with a non-contact electromagnetic acoustic transducer (EMAT). These nonlinear acoustic parameters decreased from the start to 50% of creep life. After slightly increased, they rapidly increased from 80% of creep life to rupture. We interpreted these phenomena in terms of dislocation recovery, recrystallization, and restructuring related to the initiation and growth of creep void, with support from the SEM and TEM observation.

Magnetically tunable 1D Coulomb drag: Theory

NASA Astrophysics Data System (ADS)

Tylan-Tyler, Anthony; Tang, Yuhe; Levy, Jeremy

In this work, we examine the Coulomb drag effect in 1D nanowires in close proximity, focusing on experimental parameters relevant to complex-oxide nanostructures. Previous work on this problem examined Coulomb drag through quantum point contacts, where effective capacitive coupling between the 2D leads of the system generates the drag voltage. In our case, the entire system is composed of 1D components and thus a more careful treatment of the Coulomb interactions is required. This more complex environment then leads to the ability to switch the drag voltage by an applied magnetic field without altering the current supplied to the drive system. We gratefully acknowledge financial support from ONR N00014-15-1-2847 and DOE DE-SC0014417.

Computer-aided molecular modeling techniques for predicting the stability of drug cyclodextrin inclusion complexes in aqueous solutions

NASA Astrophysics Data System (ADS)

Faucci, Maria Teresa; Melani, Fabrizio; Mura, Paola

2002-06-01

Molecular modeling was used to investigate factors influencing complex formation between cyclodextrins and guest molecules and predict their stability through a theoretical model based on the search for a correlation between experimental stability constants ( Ks) and some theoretical parameters describing complexation (docking energy, host-guest contact surfaces, intermolecular interaction fields) calculated from complex structures at a minimum conformational energy, obtained through stochastic methods based on molecular dynamic simulations. Naproxen, ibuprofen, ketoprofen and ibuproxam were used as model drug molecules. Multiple Regression Analysis allowed identification of the significant factors for the complex stability. A mathematical model ( r=0.897) related log Ks with complex docking energy and lipophilic molecular fields of cyclodextrin and drug.