The exchange interaction effects on magnetic properties of the nanostructured CoPt particles

NASA Astrophysics Data System (ADS)

Komogortsev, S. V.; Iskhakov, R. S.; Zimin, A. A.; Filatov, E. Yu.; Korenev, S. V.; Shubin, Yu. V.; Chizhik, N. A.; Yurkin, G. Yu.; Eremin, E. V.

2016-03-01

Various manifestations of the exchange interaction effects in magnetization curves of the CoPt nanostructured particles are demonstrated and discussed. The inter-grain exchange constant A in the sponge-like agglomerates of crystallites is estimated as A=(7±1) pJ/m from the approach magnetization to saturation curves that is in good agreement with A=(6.6±0.5) pJ/m obtained from Bloch T 3/2 law. The fractal dimensionality of the exchange coupled crystallite system in the porous media of the disordered CoPt alloy d=(2.60±0.18) was estimated from the approach magnetization to saturation curve. Coercive force decreases with temperature as Hc T 3/2 which is assumed to be a consequence of the magnetic anisotropy energy reduction due to the thermal spin wave excitations in the investigated CoPt particles.

Diffusion of multiple species with excluded-volume effects.

PubMed

Bruna, Maria; Chapman, S Jonathan

2012-11-28

Stochastic models of diffusion with excluded-volume effects are used to model many biological and physical systems at a discrete level. The average properties of the population may be described by a continuum model based on partial differential equations. In this paper we consider multiple interacting subpopulations/species and study how the inter-species competition emerges at the population level. Each individual is described as a finite-size hard core interacting particle undergoing brownian motion. The link between the discrete stochastic equations of motion and the continuum model is considered systematically using the method of matched asymptotic expansions. The system for two species leads to a nonlinear cross-diffusion system for each subpopulation, which captures the enhancement of the effective diffusion rate due to excluded-volume interactions between particles of the same species, and the diminishment due to particles of the other species. This model can explain two alternative notions of the diffusion coefficient that are often confounded, namely collective diffusion and self-diffusion. Simulations of the discrete system show good agreement with the analytic results.

Tunable interactions between paramagnetic colloidal particles driven in a modulated ratchet potential.

PubMed

Straube, Arthur V; Tierno, Pietro

2014-06-14

We study experimentally and theoretically the interactions between paramagnetic particles dispersed in water and driven above the surface of a stripe patterned magnetic garnet film. An external rotating magnetic field modulates the stray field of the garnet film and generates a translating potential landscape which induces directed particle motion. By varying the ellipticity of the rotating field, we tune the inter-particle interactions from net repulsive to net attractive. For attractive interactions, we show that pairs of particles can approach each other and form stable doublets which afterwards travel along the modulated landscape at a constant mean speed. We measure the strength of the attractive force between the moving particles and propose an analytically tractable model that explains the observations and is in quantitative agreement with experiment.

IMPETUS - Interactive MultiPhysics Environment for Unified Simulations.

PubMed

Ha, Vi Q; Lykotrafitis, George

2016-12-08

We introduce IMPETUS - Interactive MultiPhysics Environment for Unified Simulations, an object oriented, easy-to-use, high performance, C++ program for three-dimensional simulations of complex physical systems that can benefit a large variety of research areas, especially in cell mechanics. The program implements cross-communication between locally interacting particles and continuum models residing in the same physical space while a network facilitates long-range particle interactions. Message Passing Interface is used for inter-processor communication for all simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

Arrangement at the nanoscale: Effect on magnetic particle hyperthermia

NASA Astrophysics Data System (ADS)

Myrovali, E.; Maniotis, N.; Makridis, A.; Terzopoulou, A.; Ntomprougkidis, V.; Simeonidis, K.; Sakellari, D.; Kalogirou, O.; Samaras, T.; Salikhov, R.; Spasova, M.; Farle, M.; Wiedwald, U.; Angelakeris, M.

2016-11-01

In this work, we present the arrangement of Fe3O4 magnetic nanoparticles into 3D linear chains and its effect on magnetic particle hyperthermia efficiency. The alignment has been performed under a 40 mT magnetic field in an agarose gel matrix. Two different sizes of magnetite nanoparticles, 10 and 40 nm, have been examined, exhibiting room temperature superparamagnetic and ferromagnetic behavior, in terms of DC magnetic field, respectively. The chain formation is experimentally visualized by scanning electron microscopy images. A molecular Dynamics anisotropic diffusion model that outlines the role of intrinsic particle properties and inter-particle distances on dipolar interactions has been used to simulate the chain formation process. The anisotropic character of the aligned samples is also reflected to ferromagnetic resonance and static magnetometry measurements. Compared to the non-aligned samples, magnetically aligned ones present enhanced heating efficiency increasing specific loss power value by a factor of two. Dipolar interactions are responsible for the chain formation of controllable density and thickness inducing shape anisotropy, which in turn enhances magnetic particle hyperthermia efficiency.

Sedimentation field-flow fractionation for characterization of citric acid-modified Hβ zeolite particles: Effect of particle dispersion and carrier composition.

PubMed

Dou, Haiyang; Bai, Guoyi; Ding, Liang; Li, Yueqiu; Lee, Seungho

2015-11-27

In this study, sedimentation field-flow fractionation (SdFFF) was, for the first time, applied for determination of size distribution of Hβ zeolite particles modified by citric acid (CA-Hβ). Effects of the particle dispersion and the carrier liquid composition (type of dispersing reagent (surfactant) and salt added in the carrier liquid, ionic strength, and pH) on SdFFF elution behavior of CA-Hβ zeolite particles were systematically investigated. Also the SdFFF separation efficiency of the particles was discussed in terms of the forces such as van der Waals, hydrophobic, and induced-dipole interactions. Results reveal that the type of salt and pH of the carrier liquid significantly affect the SdFFF separation efficiency of the zeolite particles. It was found that addition of a salt (NaN3) into the carrier liquid affects the characteristic of the SdFFF channel surface. It was found that the use of an acidic medium (pH 3.2) leads to a particle-channel interaction, while the use of a basic medium (pH 10.6) promotes an inter-particle hydrophobic interaction. Result from SdFFF was compared with those from scanning electron microscopy (SEM) and dynamic light scattering (DLS). It seems that, once the experimental conditions are optimized, SdFFF becomes a valuable tool for size characterization of the zeolite particles. Copyright © 2015 Elsevier B.V. All rights reserved.

Modeling of particle agglomeration in nanofluids

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

Krishna, K. Hari; Neti, S.; Oztekin, A.

2015-03-07

Agglomeration strongly influences the stability or shelf life of nanofluid. The present computational and experimental study investigates the rate of agglomeration quantitatively. Agglomeration in nanofluids is attributed to the net effect of various inter-particle interaction forces. For the nanofluid considered here, a net inter-particle force depends on the particle size, volume fraction, pH, and electrolyte concentration. A solution of the discretized and coupled population balance equations can yield particle sizes as a function of time. Nanofluid prepared here consists of alumina nanoparticles with the average particle size of 150 nm dispersed in de-ionized water. As the pH of the colloid wasmore » moved towards the isoelectric point of alumina nanofluids, the rate of increase of average particle size increased with time due to lower net positive charge on particles. The rate at which the average particle size is increased is predicted and measured for different electrolyte concentration and volume fraction. The higher rate of agglomeration is attributed to the decrease in the electrostatic double layer repulsion forces. The rate of agglomeration decreases due to increase in the size of nano-particle clusters thus approaching zero rate of agglomeration when all the clusters are nearly uniform in size. Predicted rates of agglomeration agree adequate enough with the measured values; validating the mathematical model and numerical approach is employed.« less

A Radiation Chemistry Code Based on the Greens Functions of the Diffusion Equation

NASA Technical Reports Server (NTRS)

Plante, Ianik; Wu, Honglu

2014-01-01

Ionizing radiation produces several radiolytic species such as.OH, e-aq, and H. when interacting with biological matter. Following their creation, radiolytic species diffuse and chemically react with biological molecules such as DNA. Despite years of research, many questions on the DNA damage by ionizing radiation remains, notably on the indirect effect, i.e. the damage resulting from the reactions of the radiolytic species with DNA. To simulate DNA damage by ionizing radiation, we are developing a step-by-step radiation chemistry code that is based on the Green's functions of the diffusion equation (GFDE), which is able to follow the trajectories of all particles and their reactions with time. In the recent years, simulations based on the GFDE have been used extensively in biochemistry, notably to simulate biochemical networks in time and space and are often used as the "gold standard" to validate diffusion-reaction theories. The exact GFDE for partially diffusion-controlled reactions is difficult to use because of its complex form. Therefore, the radial Green's function, which is much simpler, is often used. Hence, much effort has been devoted to the sampling of the radial Green's functions, for which we have developed a sampling algorithm This algorithm only yields the inter-particle distance vector length after a time step; the sampling of the deviation angle of the inter-particle vector is not taken into consideration. In this work, we show that the radial distribution is predicted by the exact radial Green's function. We also use a technique developed by Clifford et al. to generate the inter-particle vector deviation angles, knowing the inter-particle vector length before and after a time step. The results are compared with those predicted by the exact GFDE and by the analytical angular functions for free diffusion. This first step in the creation of the radiation chemistry code should help the understanding of the contribution of the indirect effect in the formation of DNA damage and double-strand breaks.

Self-organized magnetic particles to tune the mechanical behavior of a granular system

NASA Astrophysics Data System (ADS)

Cox, Meredith; Wang, Dong; Barés, Jonathan; Behringer, Robert P.

2016-09-01

Above a certain density a granular material jams. This property can be controlled by either tuning a global property, such as the packing fraction or by applying shear strain, or at the micro-scale by tuning grain shape, inter-particle friction or externally controlled organization. Here, we introduce a novel way to change a local granular property by adding a weak anisotropic magnetic interaction between particles. We measure the evolution of the pressure, P, and coordination number, Z, for a packing of 2D photo-elastic disks, subject to uniaxial compression. A fraction R m of the particles have embedded cuboidal magnets. The strength of the magnetic interactions between particles is too weak to have a strong direct effect on P or Z when the system is jammed. However, the magnetic interactions play an important role in the evolution of latent force networks when systems containing a large enough fraction of the particles with magnets are driven through unjammed to jammed states. In this case, a statistically stable network of magnetic chains self-organizes before jamming and overlaps with force chains once jamming occurs, strengthening the granular medium. This property opens a novel way to control mechanical properties of granular materials.

Hydrodynamic entrainment in micro-confined suspensions and its implications for two-point microrheology

NASA Astrophysics Data System (ADS)

Aponte-Rivera, Christian; Zia, Roseanna N.

2017-11-01

We study hydrodynamic entrainment in spherically confined colloidal suspensions of hydrodynamically interacting particles as a model system for intracellular and other micro-confined biophysical transport. Modeling of transport and rheology in such materials requires an accurate description of the microscopic forces driving particle motion and of particle interactions with nearby boundaries. We carry out dynamic simulations of concentrated, spherically confined colloids as a model system to study the effect of 3D confinement on entrainment and rheology. We show that entrainment between two tracer particles exhibits qualitatively different functional dependence on inter-particle separation as compared to an unbound suspension, and develop a scaling theory that collapses the concentrated mobility of spherically confined suspensions for all volume fractions and particle to cavity size ratios onto a master curve. For widely separated particles, the master curve can be predicted via a Green's function, which suggests a framework with which to conduct two-point microrheology measurements near confining boundaries. The implications of these results for experiments in micro-confined biophysical systems, such as the interior of eukaryotic cells, are discussed.

Inter-plume aerodynamics for gasoline spray collapse

DOE PAGES

Sphicas, Panos; Pickett, Lyle M.; Skeen, Scott A.; ...

2017-11-10

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel–air mixing. But, the mechanisms of spray collapse are not fully understood and are difficult to predict. The purpose of this work is to study the aerodynamics in the inter-spray region, which can potentially lead to plume collapse. High-speed (100 kHz) particle image velocimetry is applied along a plane between plumes to observe the full temporal evolution of plume interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtainedmore » using simultaneous diffused back illumination and Mie-scatter techniques. Experiments are performed under simulated engine conditions using a symmetric eight-hole injector in a high-temperature, high-pressure vessel at the “Spray G” operating conditions of the engine combustion network. Indicators of plume interaction and collapse include changes in counter-flow recirculation of ambient gas toward the injector along the axis of the injector or in the inter-plume region between plumes. Furthermore, the effect of ambient temperature and gas density on the inter-plume aerodynamics and the subsequent plume collapse are assessed. Increasing ambient temperature or density, with enhanced vaporization and momentum exchange, accelerates the plume interaction. Plume direction progressively shifts toward the injector axis with time, demonstrating that the plume interaction and collapse are inherently transient.« less

Inter-plume aerodynamics for gasoline spray collapse

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

Sphicas, Panos; Pickett, Lyle M.; Skeen, Scott A.

The collapse or merging of individual plumes of direct-injection gasoline injectors is of fundamental importance to engine performance because of its impact on fuel–air mixing. But, the mechanisms of spray collapse are not fully understood and are difficult to predict. The purpose of this work is to study the aerodynamics in the inter-spray region, which can potentially lead to plume collapse. High-speed (100 kHz) particle image velocimetry is applied along a plane between plumes to observe the full temporal evolution of plume interaction and potential collapse, resolved for individual injection events. Supporting information along a line of sight is obtainedmore » using simultaneous diffused back illumination and Mie-scatter techniques. Experiments are performed under simulated engine conditions using a symmetric eight-hole injector in a high-temperature, high-pressure vessel at the “Spray G” operating conditions of the engine combustion network. Indicators of plume interaction and collapse include changes in counter-flow recirculation of ambient gas toward the injector along the axis of the injector or in the inter-plume region between plumes. Furthermore, the effect of ambient temperature and gas density on the inter-plume aerodynamics and the subsequent plume collapse are assessed. Increasing ambient temperature or density, with enhanced vaporization and momentum exchange, accelerates the plume interaction. Plume direction progressively shifts toward the injector axis with time, demonstrating that the plume interaction and collapse are inherently transient.« less

Photo-ionization and modification of nanoparticles on transparent substrates by ultrashort laser pulses

NASA Astrophysics Data System (ADS)

Gruzdev, Vitaly; Komolov, Vladimir; Li, Hao; Yu, Qingsong; Przhibel'skii, Sergey; Smirnov, Dmitry

2011-02-01

The objective of this combined experimental and theoretical research is to study the dynamics and mechanisms of nanoparticle interaction with ultrashort laser pulses and related modifications of substrate surface. For the experimental effort, metal (gold), dielectric (SiO2) and dielectric with metal coating (about 30 nm thick) spherical nanoparticles deposited on glass substrate are utilized. Size of the particles varies from 20 to 200 nm. Density of the particles varies from low (mean inter-particle distance 100 nm) to high (mean inter-particle distance less than 1 nm). The nanoparticle assemblies and the corresponding empty substrate surfaces are irradiated with single 130-fs laser pulses at wavelength 775 nm and different levels of laser fluence. Large diameter of laser spot (0.5-2 mm) provides gradient variations of laser intensity over the spot and allows observing different laser-nanoparticle interactions. The interactions vary from total removal of the nanoparticles in the center of laser spot to gentle modification of their size and shape and totally non-destructive interaction. The removed particles frequently form specific sub-micrometer-size pits on the substrate surface at their locations. The experimental effort is supported by simulations of the nanoparticle interactions with high-intensity ultrashort laser pulse. The simulation employs specific modification of the molecular dynamics approach applied to model the processes of non-thermal particle ablation following laser-induced electron emission. This technique delivers various characteristics of the ablation plume from a single nanoparticle including energy and speed distribution of emitted ions, variations of particle size and overall dynamics of its ablation. The considered geometry includes single isolated particle as well a single particle on a flat substrate that corresponds to the experimental conditions. The simulations confirm existence of the different regimes of laser-nanoparticle interactions depending on laser intensity and wavelength. In particular, implantation of ions departing from the nanoparticles towards the substrate is predicted.

Rearrangements and Yielding in Concentrated Suspensions of Hard and Soft Colloids

NASA Astrophysics Data System (ADS)

Petekidis, Georgios; Carrier, Vincent; Vlassoppoulos, Dimitris; Pusey, Peter; Ballauff, Matthias

2004-03-01

The rheology and microscopic particle rearrangements of concentrated colloidal suspensions were studied by a combination of conventional rheology and Light Scattering under shear (LS Echo). In particular we studied the rheological response and the microscopic particle dynamics under shear near and above the glass transitions concentration. Measurements were done in model hard and soft sphere particles (sterically stabilized PMMA and PS-PNIPA microgels respectively) to assess the effect of inter-particle interactions. Creep and recovery measurements and dynamic strain sweeps showed that glasses of hard particles can tolerate surprisingly large strains, up to at least 15probes the extent of irreversible particle rearrangement under oscillatory shear, verified that within their cage particles move reversibly at least up to such a strain. Such a behavior was attributed to 'cage elasticity', the ability of a particle and its neighbors to retain their relative positions within the cage under quite large distortion [1]. The onset of irreversible rearrangements measured by LS echo decreased with decreasing frequency revealing an interplay between shear and Brownian forces. The effects of interparticle interactions were studied using soft thermoreversible migrogel particles where a glass state may be reached either increasing the particle concentration or decreasing the temperature. Here, although particle rearrangements appear to be reversible up to strains as high as 100sweep is observed at much lower strains. [1] G. Petekidis, D. Vlassopoulos and P.N. Pusey, Faraday Discuss., 123, 287 (2003)

Thickness Dependence of Magnetic Blocking in Granular Metallic Thin Films

NASA Astrophysics Data System (ADS)

Wang, J.-Q.; Zhao, Z.-D.; Whittenburg, S. L.

2002-03-01

Inter-particle interaction among single domain nano-size magnetic particles embedded in nonmagnetic matrix was studied. Attention was paid to concentrated Cu-Co granular thin films with a fixed magnetic volume fraction. By analyzing theoretical models and comparing with experimental results, we studied a dimensional constraint on the magnetic properties and found that as the film thickness reduces toward thin limit the inter-particle interaction plays important roles in modifying magnetic behavior. Experimental evidence showed that the peak temperature of the susceptibility for Cu80Co20 granular thin films strongly depends on the film thickness in the range of 0 120 nm (1). It was also observed that the spontaneous magnetization of the Co phase varies with the thickness though particle size remains constant. We calculated the dipolar interaction energy among magnetic particles including far-neighbor interaction for films with different thickness values. The calculation revealed that the interaction energy varies across the film from edge to edge and the average interaction energy is strongly dependent on film thickness. Good quantitative agreement of the calculated energy curve with the experimental blocking curve was achieved after taking the magnetization variation into account. In the calculation it is assumed the existence of 100 nm sized domain structures in granular film as demonstrate (2) by previous studies. *supported by DoD/DARPA grant No. MDA972-97-1-003. (1) L. M. Malkinski, J.-Q. Wang, et al, Appl. Phys. Lett. 75, 844 (1999). (2) A. Gavrin, et al, Appl. Phys. Lett. 66, 1683 (1995); Y. J. Chen, et al, Appl. Phys. Lett. 72, 2472 (1998).

Dynamic forces on agglomerated particles caused by high-intensity ultrasound.

PubMed

Knoop, Claas; Fritsching, Udo

2014-03-01

In this paper the acoustic forces on particles and agglomerates caused by high-intensity ultrasound in gaseous atmosphere are derived by means of computational fluid dynamics (CFD). Sound induced forces cause an oscillating stress scenario where the primary particles of an agglomerate are alternatingly pressed together and torn apart with the frequency of the applied wave. A comparison of the calculated acoustic forces with respect to the inter particle adhesion forces from Van-der-Waals and liquid bridge interactions reveals that the separation forces may reach the same order of magnitude for 80 μm sized SiO2-particles. Hence, with finite probability acoustically agitated gases may de-agglomerate/disperse solid agglomerate structures. This effect is confirmed by dispersion experiments in an acoustic particle levitation setup. Copyright © 2013 Elsevier B.V. All rights reserved.

Use of Two-Body Correlated Basis Functions with van der Waals Interaction to Study the Shape-Independent Approximation for a Large Number of Trapped Interacting Bosons

NASA Astrophysics Data System (ADS)

Lekala, M. L.; Chakrabarti, B.; Das, T. K.; Rampho, G. J.; Sofianos, S. A.; Adam, R. M.; Haldar, S. K.

2017-05-01

We study the ground-state and the low-lying excitations of a trapped Bose gas in an isotropic harmonic potential for very small (˜ 3) to very large (˜ 10^7) particle numbers. We use the two-body correlated basis functions and the shape-dependent van der Waals interaction in our many-body calculations. We present an exhaustive study of the effect of inter-atomic correlations and the accuracy of the mean-field equations considering a wide range of particle numbers. We calculate the ground-state energy and the one-body density for different values of the van der Waals parameter C6. We compare our results with those of the modified Gross-Pitaevskii results, the correlated Hartree hypernetted-chain equations (which also utilize the two-body correlated basis functions), as well as of the diffusion Monte Carlo for hard sphere interactions. We observe the effect of the attractive tail of the van der Waals potential in the calculations of the one-body density over the truly repulsive zero-range potential as used in the Gross-Pitaevskii equation and discuss the finite-size effects. We also present the low-lying collective excitations which are well described by a hydrodynamic model in the large particle limit.

Dilatancy and compaction effects on the submerged granular column collapse

NASA Astrophysics Data System (ADS)

Wang, Chun; Wang, Yongqi; Peng, Chong; Meng, Xiannan

2017-10-01

The effects of dilatancy on the collapse dynamics of granular materials in air or in a liquid are studied experimentally and numerically. Experiments show that dilatancy has a critical effect on the collapse of granular columns in the presence of an ambient fluid. Two regimes of the collapse, one being quick and the other being slow, are observed from the experiments and the underlying reasons are analyzed. A two-fluid smoothed particle hydrodynamics model, based on the granular-fluid mixture theory and the critical state theory, is employed to investigate the complex interactions between the solid particles and the ambient water. It is found that dilatancy, resulting in large effective stress and large frictional coefficient between solid particles, helps form the slow regime. Small permeability, representing large inter-phase drag force, also retards the collapse significantly. The proposed numerical model is capable of reproducing these effects qualitatively.

Zonal methods for the parallel execution of range-limited N-body simulations

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

Bowers, Kevin J.; Dror, Ron O.; Shaw, David E.

2007-01-20

Particle simulations in fields ranging from biochemistry to astrophysics require the evaluation of interactions between all pairs of particles separated by less than some fixed interaction radius. The applicability of such simulations is often limited by the time required for calculation, but the use of massive parallelism to accelerate these computations is typically limited by inter-processor communication requirements. Recently, Snir [M. Snir, A note on N-body computations with cutoffs, Theor. Comput. Syst. 37 (2004) 295-318] and Shaw [D.E. Shaw, A fast, scalable method for the parallel evaluation of distance-limited pairwise particle interactions, J. Comput. Chem. 26 (2005) 1318-1328] independently introducedmore » two distinct methods that offer asymptotic reductions in the amount of data transferred between processors. In the present paper, we show that these schemes represent special cases of a more general class of methods, and introduce several new algorithms in this class that offer practical advantages over all previously described methods for a wide range of problem parameters. We also show that several of these algorithms approach an approximate lower bound on inter-processor data transfer.« less

A study on the distribution of adsorbed nanoparticles

NASA Astrophysics Data System (ADS)

Li, Ding

2008-02-01

We use Monte Carlo simulation to calculate the distributions of particles under adsorption force near planar and cylindrical surfaces, respectively. Both hard sphere interaction and repulsive Yukawa (screened coulomb) interaction are employed in our simulations. We study the influence of the inter-particle potentials. The difference between the MC simulation results and the analytical results of ideal gas model shows that the interaction between particles plays an important role in the density distribution under external fields. Moreover, the 2-dimensional constructions of particles close to the surface are studied and show relations of the interaction between particles. These results may indicate us how to improve the methods of building nanoparticle coatings and nano-scale patterns. Supported by 100 Persons Project of Chinese Academy of Sciences, National Natural Science Foundation of China (10474109, 10674146) and Major State Research Development Programme of China (2006CB933000, 2006CB708612)

An on-chip colloidal magneto-optical grating

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

Prikockis, M.; Wijesinghe, H.; Chen, A.

2016-04-18

Interacting nano- and micro-particles provide opportunities to create a wide range of useful colloidal and soft matter constructs. In this letter, we examine interacting superparamagnetic polymeric particles residing on designed permalloy (Ni{sub 0.8} Fe{sub 0.2}) shapes that are subject to weak time-orbiting magnetic fields. The precessing field and magnetic barriers that ensue along the outer perimeter of the shapes allow for containment concurrent with independent field-tunable ordering of the dipole-coupled particles. These remotely activated arrays with inter-particle spacing comparable to the wavelength of light yield microscopic on-chip surface gratings for beam steering and magnetically regulated light diffraction applications.

Selective encapsulation by Janus particles

NASA Astrophysics Data System (ADS)

Li, Wei; Ruth, Donovan; Gunton, James D.; Rickman, Jeffrey M.

2015-06-01

We employ Monte Carlo simulation to examine encapsulation in a system comprising Janus oblate spheroids and isotropic spheres. More specifically, the impact of variations in temperature, particle size, inter-particle interaction range, and strength is examined for a system in which the spheroids act as the encapsulating agents and the spheres as the encapsulated guests. In this picture, particle interactions are described by a quasi-square-well patch model. This study highlights the environmental adaptation and selectivity of the encapsulation system to changes in temperature and guest particle size, respectively. Moreover, we identify an important range in parameter space where encapsulation is favored, as summarized by an encapsulation map. Finally, we discuss the generalization of our results to systems having a wide range of particle geometries.

Role of Interactions and Correlations on Collective Dynamics of Molecular Motors Along Parallel Filaments

NASA Astrophysics Data System (ADS)

Midha, Tripti; Gupta, Arvind Kumar

2017-11-01

Cytoskeletal motors known as motor proteins are molecules that drive cellular transport along several parallel cytoskeletal filaments and support many biological processes. Experimental evidences suggest that they interact with the nearest molecules of their filament while performing any mechanical work. These interactions modify the microscopic level properties of motor proteins. In this work, a new version of two-channel totally asymmetric simple exclusion process, that incorporates the intra-channel interactions in a thermodynamically consistent way, is proposed. As the existing approaches for multi-channel systems deviate from analyzing the combined effect of inter and intra-channel interactions, a new approach known as modified vertical cluster mean field is developed. The approach along with Monte Carlo simulations successfully encounters some correlations and computes the complex dynamic properties of the system. Role of symmetry of interactions and inter-channel coupling is observed on the phase diagrams, maximal particle current and its corresponding optimal interaction strength. Surprisingly, for all values of coupling rate and most of the interaction splittings, the optimal interaction strength corresponding to maximal current belongs to the case of weak repulsive interactions. Moreover, for weak interaction splittings and with an increase in the coupling rate, the optimal interaction strength tends towards the known experimental results. The effect of coupling as well as interaction energy is also measured for correlations. They are found to be short-range and weaker for repulsive and weak attractive interactions while they are long-range and stronger for large attractions.

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

PubMed

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

2017-02-01

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

Shock Interaction of Metal Particles in Condensed Explosive Detonation

NASA Astrophysics Data System (ADS)

Ripley, Robert; Zhang, Fan; Lien, Fue-Sang

2005-07-01

For detonation propagation in a condensed explosive with metal particles, a macro-scale physical model describing the momentum transfer between the explosive and particles has yet to be completely established. Previous 1D and 2D meso-scale modeling studies indicated that significant momentum transfer from the explosive to the particles occurs as the leading shock front crosses the particles, thus influencing the initiation and detonation structure. In this work, 3D meso-scale modeling is conducted to further study the two-phase momentum transfer during the shock diffraction and subsequent detonation in liquid nitromethane containing packed metal particles. Detonation of the condensed explosive is computed using an Arrhenius reaction model and a hybrid EOS model that combines the Mie-Gruneisen equation for reactants and the JWL equation for products. The compressible particles are modeled using the Tait EOS, where the material strength is negligible. The effect of particle packing configuration and inter-particle spacing is shown by parametric studies. Finally, a physical description of the momentum transfer is discussed.

Oleate-based hydrothermal preparation of CoFe2O4 nanoparticles, and their magnetic properties with respect to particle size and surface coating

NASA Astrophysics Data System (ADS)

Repko, Anton; Vejpravová, Jana; Vacková, Taťana; Zákutná, Dominika; Nižňanský, Daniel

2015-09-01

We present a facile and high-yield synthesis of cobalt ferrite nanoparticles by hydrothermal hydrolysis of Co-Fe oleate in the presence of pentanol/octanol/toluene and water at 180 or 220 °C. The particle size (6-10 nm) was controlled by the composition of the organic solvent and temperature. Magnetic properties were then investigated with respect to the particle size and surface modification with citric acid or titanium dioxide (leading to hydrophilic particles). The as-prepared hydrophobic nanoparticles (coated by oleic acid) had a minimum inter-particle distance of 2.5 nm. Their apparent blocking temperature (estimated as a maximum of the zero-field-cooled magnetization) was 180 K, 280 K and 330 K for the particles with size of 6, 9 and 10.5 nm, respectively. Replacement of oleic acid on the surface by citric acid decreased inter-particle distance to less than 1 nm, and increased blocking temperature by ca. 10 K. On the other hand, coating with titanium dioxide, supported by nitrilotri(methylphosphonic acid), caused increase of the particle spacing, and lowering of the blocking temperature by ca. 20 K. The CoFe2O4@TiO2 nanoparticles were sufficiently stable in water, methanol and ethanol. The particles were also investigated by Mössbauer spectroscopy and alternating-current (AC) susceptibility measurements, and their analysis with Vögel-Fulcher and power law. Effect of different particle coating and dipolar interactions on the magnetic properties is discussed.

Turbulent Mixing and Afterburn in Post-Detonation Flow with Dense Particle Clouds

NASA Astrophysics Data System (ADS)

Menon, Suresh

2015-06-01

Reactive metal particles are used as additives in most explosives to enhance afterburn and augment the impact of the explosive. The afterburn is highly dependent on the particle dispersal and mixing in the post-detonation flow. The post-detonation flow is generally characterized by hydrodynamic instabilities emanating from the interaction of the blast waves with the detonation product gases and the ambient air. Further, influenced by the particles, the flow evolves and develops turbulent structures, which play vital role in determining mixing and combustion. Past studies in the field in open literature are reviewed along with some recent studies conducted using three dimensional numerical simulations of particle dispersal and combustion in the post-detonation flow. Spherical nitromethane charges enveloped by particle shells of varying thickness are considered along with dense loading effects. In dense flows, the particles block the flow of the gases and therefore, the role of the inter-particle interactions on particle dispersal cannot be ignored. Thus, both dense and dilute effects must be modeled simultaneously to simulate the post-detonation flow. A hybrid equation of state is employed to study the evolution of flow from detonation initiation till the late time mixing and afterburn. The particle dispersal pattern in each case is compared with the available experimental results. The burn rate and the energy release in each case is quantified and the effect of total mass of the particles and the particle size is analyzed in detail. Strengths and limitations of the various methods used for such studies as well as the uncertainties in the modeling strategies are also highlighted. Supported by Defense Threat Reduction Agency.

Selective encapsulation by Janus particles

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

Li, Wei, E-mail: wel208@mrl.ucsb.edu; Ruth, Donovan; Gunton, James D.

2015-06-28

We employ Monte Carlo simulation to examine encapsulation in a system comprising Janus oblate spheroids and isotropic spheres. More specifically, the impact of variations in temperature, particle size, inter-particle interaction range, and strength is examined for a system in which the spheroids act as the encapsulating agents and the spheres as the encapsulated guests. In this picture, particle interactions are described by a quasi-square-well patch model. This study highlights the environmental adaptation and selectivity of the encapsulation system to changes in temperature and guest particle size, respectively. Moreover, we identify an important range in parameter space where encapsulation is favored,more » as summarized by an encapsulation map. Finally, we discuss the generalization of our results to systems having a wide range of particle geometries.« less

Solvable Model of a Generic Trapped Mixture of Interacting Bosons: Many-Body and Mean-Field Properties

NASA Astrophysics Data System (ADS)

Klaiman, S.; Streltsov, A. I.; Alon, O. E.

2018-04-01

A solvable model of a generic trapped bosonic mixture, N 1 bosons of mass m 1 and N 2 bosons of mass m 2 trapped in an harmonic potential of frequency ω and interacting by harmonic inter-particle interactions of strengths λ 1, λ 2, and λ 12, is discussed. It has recently been shown for the ground state [J. Phys. A 50, 295002 (2017)] that in the infinite-particle limit, when the interaction parameters λ 1(N 1 ‑ 1), λ 2(N 2 ‑ 1), λ 12 N 1, λ 12 N 2 are held fixed, each of the species is 100% condensed and its density per particle as well as the total energy per particle are given by the solution of the coupled Gross-Pitaevskii equations of the mixture. In the present work we investigate properties of the trapped generic mixture at the infinite-particle limit, and find differences between the many-body and mean-field descriptions of the mixture, despite each species being 100%. We compute analytically and analyze, both for the mixture and for each species, the center-of-mass position and momentum variances, their uncertainty product, the angular-momentum variance, as well as the overlap of the exact and Gross-Pitaevskii wavefunctions of the mixture. The results obtained in this work can be considered as a step forward in characterizing how important are many-body effects in a fully condensed trapped bosonic mixture at the infinite-particle limit.

Effective Field Theory of Surface-mediated Forces in Soft Matter

NASA Astrophysics Data System (ADS)

Yolcu, Cem

We propose a field theoretic formalism for describing soft surfaces modified by the presence of inclusions. Examples include particles trapped at a fluid-fluid interface, proteins attached to (or embedded in) a biological membrane, etc. We derive the energy functional for near-flat surfaces by an effective field theory approach. The two disparate length scales, particle sizes and inter-particle separations, afford the expansion parameters for controlling the accuracy of the effective theory, which is arbitrary in principle. We consider the following two surface types: (i) one where tension determines the behavior, such as a fluid-fluid interface (referred to as a film), and (ii) one where bending-elasticity dominates (referred to as a membrane). We also restrict to rigid inclusions with a circular footprint, and discuss generalizations briefly. As a result of the localized constraints imposed on the surface by the inclusions, the free energy of the system depends on their spatial arrangement, i.e. forces arise between them. Such surface-mediated interactions are believed to play an important role in the aggregation behavior of colloidal particles at interfaces and proteins on membranes. The interaction free energy consists of two parts: (i) the ground-state of the surface determined by possible deformations imposed by the particles, and (ii) the fluctuation correction. The former is analogous to classical electrostatics with the height profile of the surface playing the role of the electrostatic potential, while the latter is analogous to the Casimir effect and originates from the mere presence of constraints. We compute both interactions in truncated expansions. The efficiency of the formalism allows us to predict, with remarkable ease, quite a few orders of subleading corrections to existing results which are only valid when the inclusions are infinitely far apart. We also found that the few previous studies on finite distance corrections were incomplete. In addition to pairwise additive interactions, we compute the leading behavior of several many-body interactions, as well as subleading corrections where the leading contribution was previously calculated.

On the role of adhesion in single-file dynamics

NASA Astrophysics Data System (ADS)

Fouad, Ahmed M.; Noel, John A.

2017-08-01

For a one-dimensional interacting system of Brownian particles with hard-core interactions (a single-file model), we study the effect of adhesion on both the collective diffusion (diffusion of the entire system with respect to its center of mass) and the tracer diffusion (diffusion of the individual tagged particles). For the case with no adhesion, all properties of these particle systems that are independent of particle labeling (symmetric in all particle coordinates and velocities) are identical to those of non-interacting particles (Lebowitz and Percus, 1967). We clarify this last fact twice. First, we derive our analytical predictions that show that the probability-density functions of single-file (ρsf) and ordinary (ρord) diffusion are identical, ρsf =ρord, predicting a nonanomalous (ordinary) behavior for the collective single-file diffusion, where the average second moment with respect to the center of mass, < x(t) 2 > , is calculated from ρ for both diffusion processes. Second, for single-file diffusion, we show, both analytically and through large-scale simulations, that < x(t) 2 > grows linearly with time, confirming the nonanomalous behavior. This nonanomalous collective behavior comes in contrast to the well-known anomalous sub-diffusion behavior of the individual tagged particles (Harris, 1965). We introduce adhesion to single-file dynamics as a second inter-particle interaction rule and, interestingly, we show that adding adhesion does reduce the magnitudes of both < x(t) 2 > and the mean square displacement per particle Δx2; but the diffusion behavior remains intact independent of adhesion in both cases. Moreover, we study the dependence of both the collective diffusion constant D and the tracer diffusion constant DT on the adhesion coefficient α.

Discrete Element Model for Suppression of Coffee-Ring Effect

NASA Astrophysics Data System (ADS)

Xu, Ting; Lam, Miu Ling; Chen, Ting-Hsuan

2017-02-01

When a sessile droplet evaporates, coffee-ring effect drives the suspended particulate matters to the droplet edge, eventually forming a ring-shaped deposition. Because it causes a non-uniform distribution of solid contents, which is undesired in many applications, attempts have been made to eliminate the coffee-ring effect. Recent reports indicated that the coffee-ring effect can be suppressed by a mixture of spherical and non-spherical particles with enhanced particle-particle interaction at air-water interface. However, a model to comprehend the inter-particulate activities has been lacking. Here, we report a discrete element model (particle system) to investigate the phenomenon. The modeled dynamics included particle traveling following the capillary flow with Brownian motion, and its resultant 3D hexagonal close packing of particles along the contact line. For particles being adsorbed by air-water interface, we modeled cluster growth, cluster deformation, and cluster combination. We found that the suppression of coffee-ring effect does not require a circulatory flow driven by an inward Marangoni flow at air-water interface. Instead, the number of new cluster formation, which can be enhanced by increasing the ratio of non-spherical particles and the overall number of microspheres, is more dominant in the suppression process. Together, this model provides a useful platform elucidating insights for suppressing coffee-ring effect for practical applications in the future.

Ion mediated targeting of cells with nanoparticles

NASA Astrophysics Data System (ADS)

Maheshwari, Vivek; Fu, Jinlong

2010-03-01

In eukaryotic cells, Ca^2+ ions are necessary for intracellular signaling, in activity of mitochondria and a variety of other cellular process that have been linked to cell apoptosis, proteins synthesis and cell-cycle regulation. Here we show that Ca^2+ ions, serving as the bio-compatible interface can be used to target Saccharomyces cerevisiae (SaC, baker's yeast), a model eukaryotic cell, with Au nanoparticles (10 nm). The Ca^2+ ions bind to the carboxylic acid groups in the citrate functionalized Au nanoparticles. This transforms the nanoparticles into micron long 1-D branched chain assemblies due to inter-particle dipole-dipole interaction and inter-particle bonding due to the divalent nature of the Ca^2+ ion. A similar transformation is observed with the use of divalent ions Mg^2+, Cd^2+ and Fe^2+. The 1-D assembly aids the interfacing of ion-nanoparticles on the cell by providing multiple contact points. Further monovalent ions such as Na^+ are also effective for the targeting of the cell with nanoparticles. However Na-Au nanoparticles are limited in their deposition as they exist in solution as single particles. The cells remain alive after the deposition process and their vitality is unaffected by the interfacing with ion-nanoparticles.

Nonlinear waves in repulsive media supported by spatially localized parity-time-symmetric potentials

NASA Astrophysics Data System (ADS)

Devassy, Lini; Jisha, Chandroth P.; Alberucci, Alessandro; Kuriakose, V. C.

2017-06-01

We study the existence, stability and dynamics of solitons in a PT-symmetric potential in the presence of a local defocusing nonlinearity. For the sake of concreteness, we refer to Bose-Einstein condensates, where defocusing nonlinearity stems from a repulsive inter-particle interaction. Two kinds of transverse profiles for the gain-loss mechanism, i.e., the imaginary part of the potential, are considered. Differently from the attractive inter-particle interaction, solitons exist only inside a narrow band of chemical potential and particle number. The existence region shrinks as the magnitude of the gain-loss is increased, with the soliton ceasing to exist above the linear exceptional point, that is, the point at which PT symmetry is broken. Using linear stability analysis together with full numerical simulations of the Gross-Pitaevskii equation, we show that solitons survive on temporal scales much longer than the diffusion time. For magnitude of gain-loss close to the exceptional point, stability depends on the transverse profile of the gain-loss mechanism and the magnitude of the nonlinear excitation.

Parametric excitation and squeezing in a many-body spinor condensate

PubMed Central

Hoang, T. M.; Anquez, M.; Robbins, B. A.; Yang, X. Y.; Land, B. J.; Hamley, C. D.; Chapman, M. S.

2016-01-01

Atomic spins are usually manipulated using radio frequency or microwave fields to excite Rabi oscillations between different spin states. These are single-particle quantum control techniques that perform ideally with individual particles or non-interacting ensembles. In many-body systems, inter-particle interactions are unavoidable; however, interactions can be used to realize new control schemes unique to interacting systems. Here we demonstrate a many-body control scheme to coherently excite and control the quantum spin states of an atomic Bose gas that realizes parametric excitation of many-body collective spin states by time varying the relative strength of the Zeeman and spin-dependent collisional interaction energies at multiples of the natural frequency of the system. Although parametric excitation of a classical system is ineffective from the ground state, we show that in our experiment, parametric excitation from the quantum ground state leads to the generation of quantum squeezed states. PMID:27044675

Parametric excitation and squeezing in a many-body spinor condensate

NASA Astrophysics Data System (ADS)

Hoang, T. M.; Anquez, M.; Robbins, B. A.; Yang, X. Y.; Land, B. J.; Hamley, C. D.; Chapman, M. S.

2016-04-01

Atomic spins are usually manipulated using radio frequency or microwave fields to excite Rabi oscillations between different spin states. These are single-particle quantum control techniques that perform ideally with individual particles or non-interacting ensembles. In many-body systems, inter-particle interactions are unavoidable; however, interactions can be used to realize new control schemes unique to interacting systems. Here we demonstrate a many-body control scheme to coherently excite and control the quantum spin states of an atomic Bose gas that realizes parametric excitation of many-body collective spin states by time varying the relative strength of the Zeeman and spin-dependent collisional interaction energies at multiples of the natural frequency of the system. Although parametric excitation of a classical system is ineffective from the ground state, we show that in our experiment, parametric excitation from the quantum ground state leads to the generation of quantum squeezed states.

Quasi-molecular bosonic complexes-a pathway to SQUID with controlled sensitivity

NASA Astrophysics Data System (ADS)

Safavi-Naini, Arghavan; Capogrosso-Sansone, Barbara; Kuklov, Anatoly; Penna, Vittorio

2016-02-01

Recent experimental advances in realizing degenerate quantum dipolar gases in optical lattices and the flexibility of experimental setups in attaining various geometries offer the opportunity to explore exotic quantum many-body phases stabilized by anisotropic, long-range dipolar interaction. Moreover, the unprecedented control over the various physical properties of these systems, ranging from the quantum statistics of the particles, to the inter-particle interactions, allow one to engineer novel devices. In this paper, we consider dipolar bosons trapped in a stack of one-dimensional optical lattice layers, previously studied in (Safavi-Naini et al 2014 Phys. Rev. A 90 043604). Building on our prior results, we provide a description of the quantum phases stabilized in this system which include composite superfluids (CSFs), solids, and supercounterfluids, most of which are found to be threshold-less with respect to the dipolar interaction strength. We also demonstrate the effect of enhanced sensitivity to rotations of a SQUID-type device made of two CSF trapped in a ring-shaped optical lattice layer with weak links.

Lipid membrane-assisted condensation and assembly of amphiphilic Janus particles

DOE PAGES

Chambers, Mariah; Mallory, Stewart Anthony; Malone, Heather; ...

2016-01-01

Amphiphilic Janus particles self-assemble into complex metastructures, but little is known about how their assembly might be modified by weak interactions with a nearby biological membrane surface. Here, we report an integrated experimental and molecular dynamics simulation study to investigate the self-assembly of amphiphilic Janus particles on a lipid membrane. We created an experimental system in which Janus particles are allowed to self-assemble in the same medium where zwitterionic lipids form giant unilamellar vesicles (GUVs). Janus particles spontaneously concentrated on the inner leaflet of the GUVs. They exhibited biased orientation and heterogeneous rotational dynamics as revealed by single particle rotationalmore » tracking. The combined experimental and simulation results show that Janus particles concentrate on the lipid membranes due to weak particle–lipid attraction, whereas the biased orientation of particles is driven predominantly by inter-particle interactions. Furthermore, this study demonstrates the potential of using lipid membranes to influence the self-assembly of Janus particles.« less

Introduction to photon traditional Chinese medicine

NASA Astrophysics Data System (ADS)

Liu, Songhao; Liu, Timon C.; Li, Yan; Meng, Yao-Yong

2000-10-01

Photon traditional Chinese medicine (PTCM), and inter- discipline of photonics and traditional Chinese medicine (TCM), studies TCM, such as the diagnostics, therapeutics, indistinct disease theory, rehabilitation, health care and so forth, by using photonics. IN this paper, we will give an introduction of PTCM and review its progress in the collective interaction of low intensity laser irradiation with biological systems, the propagation of low intensity laser irradiation through tissue, the biophotonics representation of acupoint, low intensity laser therapy, TCM laser hemotherapy, laser acupuncture. In this paper, the concept of biological unit was put forward for acupoint and cell membrane receptors to be considered as an identical particle model. The interaction of identical particles was studied by quantum chemistry, as well as the response of the system interacting with physical factors by the time quantum theory on radiation-matter interaction. It was shown that the identical particles from coherent states, the response rate of the super-change state is a linear function of N2 and N3 (N is the particle number), and the one of the sub-change state is zero. Its application led to the explanation of the contribution of biological unit number of acupoint to acupoint specificity and the contribution of cell membrane receptors to low in tensity laser irradiation. The comparative research of acupoint effect and cell function with biophoton emission showed that acupoint states and the membrane receptor state are related to body diseases.

Directed assembly of colloidal particles for micro/nano photonics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Zheng, Yuebing

2017-02-01

Bottom-up fabrication of complex structures with chemically synthesized colloidal particles as building blocks pave an efficient and cost-effective way towards micro/nano photonics with unprecedented functionality and tunability. Novel properties can arise from quantum effects of colloidal particles, as well as inter-particle interactions and spatial arrangement in particle assemblies. Herein, I discuss our recent developments and applications of three types of techniques for directed assembly of colloidal particles: moiré nanosphere lithography (MNSL), bubble-pen lithography (BPL), and optothermal tweezers (OTTs). Specifically, MNSL provides an efficient approach towards creating moiré metasurface with tunable and multiband optical responses from visible to mid-infrared regime. Au moiré metasurfaces have been applied for surface-enhanced infrared spectroscopy, optical capture and patterning of bacteria, and photothermal denaturation of proteins. BPL is developed to pattern a variety of colloidal particles on plasmonic substrates and two-dimensional atomic-layer materials in an arbitrary manner. The laser-directed microbubble captures and immobilizes nanoparticles through coordinated actions of Marangoni convection, surface tension, gas pressure, and substrate adhesion. OTTs are developed to create dynamic nanoparticle assemblies at low optical power. Such nanoparticle assemblies have been used for surface-enhanced Raman spectroscopy for molecular analysis in their native environments.

Determination of the Secondary Bjerknes Force in Acoustic Resonators on Ground and in Microgravity Conditions

NASA Astrophysics Data System (ADS)

Castro, Luz Angelica; Hoyos, Mauricio

2016-04-01

We propose an experimental methodology to determine the secondary Bjerknes force between rigid particles. Measurements done for different particles sizes showed acoustical inter particles interactions. We use and extend the methodology presented in a previous work. The determination of this force will lead us a better understanding of the aggregation process in acoustic resonators. We report in this work, the results of two parabolic flights campaigns performed at the Airbus A300 ZERO-G (Novespace, France).

Precise colloids with tunable interactions for confocal microscopy

PubMed Central

Kodger, Thomas E.; Guerra, Rodrigo E.; Sprakel, Joris

2015-01-01

Model colloidal systems studied with confocal microscopy have led to numerous insights into the physics of condensed matter. Though confocal microscopy is an extremely powerful tool, it requires a careful choice and preparation of the colloid. Uncontrolled or unknown variations in the size, density, and composition of the individual particles and interactions between particles, often influenced by the synthetic route taken to form them, lead to difficulties in interpreting the behavior of the dispersion. Here we describe the straightforward synthesis of copolymer particles which can be refractive index- and density-matched simultaneously to a non-plasticizing mixture of high dielectric solvents. The interactions between particles are accurately tuned by surface grafting of polymer brushes using Atom Transfer Radical Polymerization (ATRP), from hard-sphere-like to long-ranged electrostatic repulsion or mixed charge attraction. We also modify the buoyant density of the particles by altering the copolymer ratio while maintaining their refractive index match to the suspending solution resulting in well controlled sedimentation. The tunability of the inter-particle interactions, the low volatility of the solvents, and the capacity to simultaneously match both the refractive index and density of the particles to the fluid opens up new possibilities for exploring the physics of colloidal systems. PMID:26420044

Numerical simulation and analysis of the flow in a two-staged axial fan

NASA Astrophysics Data System (ADS)

Xu, J. Q.; Dou, H. S.; Jia, H. X.; Chen, X. P.; Wei, Y. K.; Dong, M. W.

2016-05-01

In this paper, numerical simulation was performed for the internal three-dimensional turbulent flow field in the two-stage axial fan using steady three-dimensional in-compressible Navier-Stokes equations coupled with the Realizable turbulent model. The numerical simulation results of the steady analysis were combined with the flow characteristics of two- staged axial fan, the influence of the mutual effect between the blade and the vane on the flow of the two inter-stages was analyzed emphatically. This paper studied how the flow field distribution in inter-stage is influenced by the wake interaction and potential flow interaction of mutual effect in the impeller-vane inter-stage and the vane-impeller inter-stage. The results showed that: Relatively, wake interaction has an advantage over potential flow interaction in the impeller-vane inter-stage; potential flow interaction has an advantage over wake interaction in the vane-impeller inter-stage. In other words, distribution of flow field in the two interstages is determined by the rotating component.

3D Numerical Prediction of Gas-Solid Flow Behavior in CFB Risers for Geldart A and B Particles

NASA Astrophysics Data System (ADS)

Özel, A.; Fede, P.; Simonin, O.

In this study, mono-disperse flows in squared risers conducted with A and B-type particles were simulated by Eulerian n-fluid 3D unsteady code. Two transport equations developed in the frame of kinetic theory of granular media supplemented by the interstitial fluid effect and the interaction with the turbulence (Balzer et al., 1996) are resolved to model the effect of velocity fluctuations and inter-particle collisions on the dispersed phase hydrodynamic. The studied flow geometries are three-dimensional vertical cold channels excluding cyclone, tampon and returning pipe of a typical circulating fluidized bed. For both type of particles, parametric studies were carried out to determine influences of boundary conditions, physical parameters and turbulence modeling. The grid dependency was analyzed with mesh refinement in horizontal and axial directions. For B-type particles, the results are in good qualitative agreement with the experiments and numerical predictions are slightly improved by the mesh refinement. On the contrary, the simulations with A-type particles show a less satisfactory agreement with available measurements and are highly sensitive to mesh refinement. Further studies are carried out to improve the A-type particles by modeling subgrid-scale effects in the frame of large-eddy simulation approach.

Longitudinal domain wall formation in elongated assemblies of ferromagnetic nanoparticles

PubMed Central

Varón, Miriam; Beleggia, Marco; Jordanovic, Jelena; Schiøtz, Jakob; Kasama, Takeshi; Puntes, Victor F.; Frandsen, Cathrine

2015-01-01

Through evaporation of dense colloids of ferromagnetic ~13 nm ε-Co particles onto carbon substrates, anisotropic magnetic dipolar interactions can support formation of elongated particle structures with aggregate thicknesses of 100–400 nm and lengths of up to some hundred microns. Lorenz microscopy and electron holography reveal collective magnetic ordering in these structures. However, in contrast to continuous ferromagnetic thin films of comparable dimensions, domain walls appear preferentially as longitudinal, i.e., oriented parallel to the long axis of the nanoparticle assemblies. We explain this unusual domain structure as the result of dipolar interactions and shape anisotropy, in the absence of inter-particle exchange coupling. PMID:26416297

Software-type Wave-Particle Interaction Analyzer (SWPIA) by RPWI for JUICE

NASA Astrophysics Data System (ADS)

Katoh, Y.; Kojima, H.; Asamura, K.; Kasaba, Y.; Tsuchiya, F.; Kasahara, Y.; Ishisaka, S.; Kimura, T.; Miyoshi, Y.; Santolik, O.; Bergman, J.; Puccio, W.; Gill, R.; Wieser, M.; Schmidt, W.; Barabash, S.; Wahlund, J.-E.

2017-09-01

Software-type Wave-Particle Interaction Analyzer (SWPIA) will be realized as a software function of Low-Frequency receiver (LF) running on the DPU of RPWI (Radio and Plasma Waves Investigation) for the ESA JUICE mission. SWPIA conducts onboard computations of physical quantities indicating the energy exchange between plasma waves and energetic ions. Onboard inter-instruments communications are necessary to realize SWPIA, which will be implemented by efforts of RPWI, PEP (Particle Environment Package) and J-MAG (JUICE Magnetometer). By providing the direct evidence of ion energization processes by plasma waves around Jovian satellites, SWPIA contributes scientific output of JUICE as much as possible with keeping its impact on the telemetry data size to a minimum.

EFFECT OF BODY SIZE ON BREATHING PATTERN AND FINE PARTICLE DEPOSITION IN CHILDREN

EPA Science Inventory

Inter-child variability in breathing patterns may contribute to variability in fine particle, lung deposition and morbidity in children associated with those particles. Fractional deposition (DF) of fine particles (2um monodisperse, carnauba wax particles) was measured in healthy...

Trapping and patterning of large particles and cells in a 1D ultrasonic standing wave.

PubMed

Habibi, Ruhollah; Devendran, Citsabehsan; Neild, Adrian

2017-09-26

The use of ultrasound for trapping and patterning particles or cells in microfluidic systems is usually confined to particles which are considerably smaller than the acoustic wavelength. In this regime, the primary forces result in particle clustering at certain locations in the sound field, whilst secondary forces, those arising due to particle-particle interaction forces, assist this clustering process. Using a wavelength closer to the size of the particles allows one particle to be held at each primary force minimum. However, to achieve this, the influence of secondary forces needs to be carefully studied, as inter-particle attraction is highly undesirable. Here, we study the effect of particle size and material properties on both the primary and secondary acoustic forces as the particle diameter is increased towards the wavelength of the 1-dimensional axisymmetric ultrasonic field. We show that the resonance frequencies of the solid sphere have an important role in the resulting secondary forces which leads to a narrow band of frequencies that allow the patterning of large particles in a 1-D array. Knowledge regarding the naturally existent secondary forces would allow for system designs enabling single cell studies to be conducted in a biologically safe manner.

Entropic depletion in colloidal suspensions and polymer liquids: Role of nanoparticle surface topography

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

Banerjee, Debapriya; Yang, Jian; Schweizer, Kenneth S.

2015-01-01

Here, we employ a hybrid Monte Carlo plus integral equation theory approach to study how dense fluids of small nanoparticles or polymer chains mediate entropic depletion interactions between topographically rough particles where all interaction potentials are hard core repulsion. The corrugated particle surfaces are composed of densely packed beads which present variable degrees of controlled topographic roughness and free volume associated with their geometric crevices. This pure entropy problem is characterized by competing ideal translational and (favorable and unfavorable) excess entropic contributions. Surface roughness generically reduces particle depletion aggregation relative to the smooth hard sphere case. However, the competition betweenmore » ideal and excess packing entropy effects in the bulk, near the particle surface and in the crevices, results in a non-monotonic variation of the particle-monomer packing correlation function as a function of the two dimensionless length scale ratios that quantify the effective surface roughness. As a result, the inter-particle potential of mean force (PMF), second virial coefficient, and spinodal miscibility volume fraction vary non-monotonically with the surface bead to monomer diameter and particle core to surface bead diameter ratios. A miscibility window is predicted corresponding to an optimum degree of surface roughness that completely destroys depletion attraction resulting in a repulsive PMF. Variation of the (dense) matrix packing fraction can enhance or suppress particle miscibility depending upon the amount of surface roughness. Connecting the monomers into polymer chains destabilizes the system via enhanced contact depletion attraction, but the non-monotonic variations with surface roughness metrics persist.« less

Simulations of electrically induced particle structuring on spherical drop surface

NASA Astrophysics Data System (ADS)

Hu, Yi; Vlahovska, Petia; Miksis, Michael

2016-11-01

Recent experiments (Ouriemi and Vlahovska, 2014) show intriguing surface patterns when a uniform electric field is applied to a droplet covered with colloidal particles. Depending on the particle properties and the electrical field intensity, particles organize into an equatorial belt, pole-to-pole chains, or dynamic vortices. Here we present a model to simulate the collective particle dynamics, which accounts for the electrohydrodynamic flow and particle dielectrophoresis due to the non-uniformity of local electrical field. In stronger electric fields, particles are expected to undergo Quincke rotation, inducing rotating clusters through inter-particle hydrodynamical interaction. We discuss how the field intensity influences the width, orientation and periodicity of the particle clusters. Our results provide insight into the various particle assembles discovered in the experiments.

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.

Modelling study on the three-dimensional neutron depolarisation response of the evolving ferrite particle size distribution during the austenite-ferrite phase transformation in steels

NASA Astrophysics Data System (ADS)

Fang, H.; van der Zwaag, S.; van Dijk, N. H.

2018-07-01

The magnetic configuration of a ferromagnetic system with mono-disperse and poly-disperse distribution of magnetic particles with inter-particle interactions has been computed. The analysis is general in nature and applies to all systems containing magnetically interacting particles in a non-magnetic matrix, but has been applied to steel microstructures, consisting of a paramagnetic austenite phase and a ferromagnetic ferrite phase, as formed during the austenite-to-ferrite phase transformation in low-alloyed steels. The characteristics of the computational microstructures are linked to the correlation function and determinant of depolarisation matrix, which can be experimentally obtained in three-dimensional neutron depolarisation (3DND). By tuning the parameters in the model used to generate the microstructure, we studied the effect of the (magnetic) particle size distribution on the 3DND parameters. It is found that the magnetic particle size derived from 3DND data matches the microstructural grain size over a wide range of volume fractions and grain size distributions. A relationship between the correlation function and the relative width of the particle size distribution was proposed to accurately account for the width of the size distribution. This evaluation shows that 3DND experiments can provide unique in situ information on the austenite-to-ferrite phase transformation in steels.

Microscopy of the interacting Harper-Hofstadter model in the few-body limit

NASA Astrophysics Data System (ADS)

Tai, M. Eric; Lukin, Alexander; Rispoli, Matthew; Schittko, Robert; Menke, Tim; Borgnia, Dan; Preiss, Philipp; Grusdt, Fabian; Kaufman, Adam; Greiner, Markus

2017-04-01

The interplay of magnetic fields and interacting particles can lead to exotic phases of matter exhibiting topological order and high degrees of spatial entanglement. While these phases were discovered in a solid-state setting, recent techniques have enabled the realization of gauge fields in systems of ultracold neutral atoms, offering a new experimental paradigm for studying these novel states of matter. This complementary platform holds promise for exploring exotic physics in fractional quantum Hall systems due to the microscopic manipulation and precision possible in cold atom systems. However, these experiments thus far have mostly explored the regime of weak interactions. Here, we show how strong interactions can modify the propagation of particles in a 2 × N , real-space ladder governed by the Harper-Hofstadter model. We observe inter-particle interactions affect the populating of chiral bands, giving rise to chiral dynamics whose multi-particle correlations indicate both bound and free-particle character. The novel form of interaction-induced chirality observed in these experiments demonstrates the essential ingredients for future investigations of highly entangled topological phases of many-body systems. We are supported by Grants from the National Science Foundation, Gordon and Betty Moore Foundation's EPiQS Initiative, an Air Force Office of Scientific Research MURI program, an Army Research Office MURI program, and the NSF GRFP (MNR).

"Hypothetical" Heavy Particles Dynamics in LES of Turbulent Dispersed Two-Phase Channel Flow

NASA Technical Reports Server (NTRS)

Gorokhovski, M.; Chtab, A.

2003-01-01

The extensive experimental study of dispersed two-phase turbulent flow in a vertical channel has been performed in Eaton's research group in the Mechanical Engineering Department at Stanford University. In Wang & Squires (1996), this study motivated the validation of LES approach with Lagrangian tracking of round particles governed by drag forces. While the computed velocity of the flow have been predicted relatively well, the computed particle velocity differed strongly from the measured one. Using Monte Carlo simulation of inter-particle collisions, the computation of Yamamoto et al. (2001) was specifically performed to model Eaton's experiment. The results of Yamamoto et al. (2001) improved the particle velocity distribution. At the same time, Vance & Squires (2002) mentioned that the stochastic simualtion of inter-particle collisions is too expensive, requiring significantly more CPU resources than one needs for the gas flow computation. Therefore, the need comes to account for the inter-particle collisions in a simpler and still effective way. To present such a model in the framework of LES/Lagrangian particle approach, and to compare the calculated results with Eaton's measurement and modeling of Yamamoto is the main objective of the present paper.

Thermodynamic properties of water in confined environments: a Monte Carlo study

NASA Astrophysics Data System (ADS)

Gladovic, Martin; Bren, Urban; Urbic, Tomaž

2018-05-01

Monte Carlo simulations of Mercedes-Benz water in a crowded environment were performed. The simulated systems are representative of both composite, porous or sintered materials and living cells with typical matrix packings. We studied the influence of overall temperature as well as the density and size of matrix particles on water density, particle distributions, hydrogen bond formation and thermodynamic quantities. Interestingly, temperature and space occupancy of matrix exhibit a similar effect on water properties following the competition between the kinetic and the potential energy of the system, whereby temperature increases the kinetic and matrix packing decreases the potential contribution. A novel thermodynamic decomposition approach was applied to gain insight into individual contributions of different types of inter-particle interactions. This decomposition proved to be useful and in good agreement with the total thermodynamic quantities especially at higher temperatures and matrix packings, where higher-order potential-energy mixing terms lose their importance.

Melting of 2D colloidal crystals

NASA Astrophysics Data System (ADS)

Maret, G.; Eisenmann, C.; Gasser, U.; Vongruenberg, H. H.; Keim, P.; Zahn, K.

2004-11-01

We study melting of 2D crystals of super-paramagnetic colloidal particles confined by gravity to a flat air-water interface. The effective system temperature is given by the strength of the dipolar inter-particle interaction controlled by an external magnetic field B. Particle positions are obtained by video-microscopy. In vertical B-field crystals are hexagonal and we find all features of the 2-step melting scenario predicted by KTHNY-theory. In particular, quantitative agreement is found for the translational and orientational order parameters related to bound and isolated dislocations and disclinations. From particle position fluctuations wave-vector (q) dependent normal-mode spring constants are obtained in agreement with phonon band structure calculations. The elastic constants (q=0 limit) soften near melting in quantitative agreement with KTHNY. By tilting B away from vertical anisotropic 2D crystals are generated; at small tilting angles they melt through a quasi-hexatic phase, while at higher tilts a centered rectangular phase is found which melts into a 2D smectic-like phase through orientation-dependent dislocations.

X-ray computed tomography uncovers root-root interactions: quantifying spatial relationships between interacting root systems in three dimensions.

PubMed

Paya, Alexander M; Silverberg, Jesse L; Padgett, Jennifer; Bauerle, Taryn L

2015-01-01

Research in the field of plant biology has recently demonstrated that inter- and intra-specific interactions belowground can dramatically alter root growth. Our aim was to answer questions related to the effect of inter- vs. intra-specific interactions on the growth and utilization of undisturbed space by fine roots within three dimensions (3D) using micro X-ray computed tomography. To achieve this, Populus tremuloides (quaking aspen) and Picea mariana (black spruce) seedlings were planted into containers as either solitary individuals, or inter-/intra-specific pairs, allowed to grow for 2 months, and 3D metrics developed in order to quantify their use of belowground space. In both aspen and spruce, inter-specific root interactions produced a shift in the vertical distribution of the root system volume, and deepened the average position of root tips when compared to intra-specifically growing seedlings. Inter-specific interactions also increased the minimum distance between root tips belonging to the same root system. There was no effect of belowground interactions on the radial distribution of roots, or the directionality of lateral root growth for either species. In conclusion, we found that significant differences were observed more often when comparing controls (solitary individuals) and paired seedlings (inter- or intra-specific), than when comparing inter- and intra-specifically growing seedlings. This would indicate that competition between neighboring seedlings was more responsible for shifting fine root growth in both species than was neighbor identity. However, significant inter- vs. intra-specific differences were observed, which further emphasizes the importance of biological interactions in competition studies.

Excitonic Order and Superconductivity in the Two-Orbital Hubbard Model: Variational Cluster Approach

NASA Astrophysics Data System (ADS)

Fujiuchi, Ryo; Sugimoto, Koudai; Ohta, Yukinori

2018-06-01

Using the variational cluster approach based on the self-energy functional theory, we study the possible occurrence of excitonic order and superconductivity in the two-orbital Hubbard model with intra- and inter-orbital Coulomb interactions. It is known that an antiferromagnetic Mott insulator state appears in the regime of strong intra-orbital interaction, a band insulator state appears in the regime of strong inter-orbital interaction, and an excitonic insulator state appears between them. In addition to these states, we find that the s±-wave superconducting state appears in the small-correlation regime, and the dx2 - y2-wave superconducting state appears on the boundary of the antiferromagnetic Mott insulator state. We calculate the single-particle spectral function of the model and compare the band gap formation due to the superconducting and excitonic orders.

Novel forms of colloidal self-organization in temporally and spatially varying external fields: from low-density network-forming fluids to spincoated crystals

NASA Astrophysics Data System (ADS)

Yethiraj, Anand

2010-03-01

External fields affect self-organization in Brownian colloidal suspensions in many different ways [1]. High-frequency time varying a.c. electric fields can induce effectively quasi-static dipolar inter-particle interactions. While dipolar interactions can provide access to multiple open equilibrium crystal structures [2] whose origin is now reasonably well understood, they can also give rise to competing interactions on short and long length scales that produce unexpected low-density ordered phases [3]. Farther from equilibrium, competing external fields are active in colloid spincoating. Drying colloidal suspensions on a spinning substrate produces a ``perfect polycrystal'' - tiny polycrystalline domains that exhibit long-range inter-domain orientational order [4] with resultant spectacular optical effects that are decoupled from single-crystallinity. High-speed movies of drying crystals yield insights into mechanisms of structure formation. Phenomena arising from multiple spatially- and temporally-varying external fields can give rise to further control of order and disorder, with potential application as patterned (photonic and magnetic) materials. [4pt] [1] A. Yethiraj, Soft Matter 3, 1099 (2007). [2] A. Yethiraj, A. van Blaaderen, Nature 421, 513 (2003). [3] A.K. Agarwal, A. Yethiraj, Phys. Rev. Lett ,102, 198301 (2009). [4] C. Arcos, K. Kumar, W. Gonz'alez-Viñas, R. Sirera, K. Poduska, A. Yethiraj, Phys. Rev. E ,77, 050402(R) (2008).

In-situ USAXS/SAXS Investigation of Tunable Structural Color in Amorphous Photonic Crystals During Electrophoretic Deposition

NASA Astrophysics Data System (ADS)

Bukosky, Scott; Hammons, Joshua; Han, Jinkyu; Freyman, Megan; Lee, Elaine; Cook, Caitlyn; Kuntz, Joshua; Worsley, Marcus; Han, Thomas Yong; Ristenpart, William; Pascall, Andrew

2017-11-01

Amorphous photonic crystals (APCs) formed via electrophoretic deposition (EPD) exhibit non-iridescent, angle-independent, structural colors believed to arise from changes in the particle-particle interactions and inter-particle spacing, representing a potential new paradigm for display technologies. However, particle dynamics on nanometer length scales that govern the displayed color, crystallinity, and other characteristics of the photonic structures, are not well understood. In this work, in-situ USAXS/SAXS studies of three-dimensional colloidal particle arrays were performed in order to identify their structural response to applied external electric fields. These results were compared to simultaneously acquired UV-Vis spectra to tie the overall electrically induced structure of the APCs directly to the observed changes in visible color. The structural evolution of the APCs provides new information regarding the correlation between nano-scale particle-particle interactions and the corresponding optical response. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-736068.

Anisotropic properties of phase separation in two-component dipolar Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Wang, Wei; Li, Jinbin

2018-03-01

Using Crank-Nicolson method, we calculate ground state wave functions of two-component dipolar Bose-Einstein condensates (BECs) and show that, due to dipole-dipole interaction (DDI), the condensate mixture displays anisotropic phase separation. The effects of DDI, inter-component s-wave scattering, strength of trap potential and particle numbers on the density profiles are investigated. Three types of two-component profiles are present, first cigar, along z-axis and concentric torus, second pancake (or blood cell), in xy-plane, and two non-uniform ellipsoid, separated by the pancake and third two dumbbell shapes.

Role of ligand-ligand vs. core-core interactions in gold nanoclusters.

PubMed

Milowska, Karolina Z; Stolarczyk, Jacek K

2016-05-14

The controlled assembly of ligand-coated gold nanoclusters (NCs) into larger structures paves the way for new applications ranging from electronics to nanomedicine. Here, we demonstrate through rigorous density functional theory (DFT) calculations employing novel functionals accounting for van der Waals forces that the ligand-ligand interactions determine whether stable assemblies can be formed. The study of NCs with different core sizes, symmetry forms, ligand lengths, mutual crystal orientations, and in the presence of a solvent suggests that core-to-core van der Waals interactions play a lesser role in the assembly. The dominant interactions originate from combination of steric effects, augmented by ligand bundling on NC facets, and related to them changes in electronic properties induced by neighbouring NCs. We also show that, in contrast to standard colloidal theory approach, DFT correctly reproduces the surprising experimental trends in the strength of the inter-particle interaction observed when varying the length of the ligands. The results underpin the importance of understanding NC interactions in designing gold NCs for a specific function.

Effect of contact angle and contact angle hysteresis on the floatability of spheres at the air-water interface.

PubMed

Feng, Dong-Xia; Nguyen, Anh V

2017-10-01

The floatability of solid particles on the water surface governs many natural phenomena and industrial processes including film flotation and froth flotation separation of coal and valuable minerals. For many years, the contact angle (CA) has been postulated as the key factor in determining the particle floatability. Indeed, the maximum force (tenacity) supporting the flotation of fine spheres was conjectured to occur when the apical angle of the contact circle is equal to the contact angle. In this paper, the model predictions are reviewed and compared with experimental results. It is shown that CA can be affected by many physical and chemical factors such as surface roughness and chemical heterogeneity and can have a range of values known as the CA hysteresis. This multiple-valued CA invalidates the available theories on the floatability of spheres. Even the intuitive replacement of CA by the advancing (maximum) CA in the classical theories can be wrong. A few new examples are also reviewed and analyzed to demonstrate the significance of CA variation in controlling the particle floatability. They include the pinning of the contact line at the sharp edge, known as the Gibbs inequality condition, and the nearby interaction among floating particles, known as lateral inter-particle interaction. It is concluded that our quantitative understanding of the floatability of real particles being irregular and heterogeneous both morphologically and chemically is still far from being satisfactory. Copyright © 2017 Elsevier B.V. All rights reserved.

Four-way coupled simulations of small particles in turbulent channel flow: The effects of particle shape and Stokes number

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

Zhao, F.; Wachem, B. G. M. van, E-mail: berend.van.wachem@gmail.com; George, W. K.

2015-08-15

This paper investigates the effects of particle shape and Stokes number on the behaviour of non-spherical particles in turbulent channel flow. Although there are a number of studies concerning spherical particles in turbulent flows, most important applications occurring in process, energy, and pharmaceutical industries deal with non-spherical particles. The computation employs a unique and novel four-way coupling with the Lagrangian point-particle approach. The fluid phase at low Reynolds number (Re{sub τ} = 150) is modelled by direct numerical simulation, while particles are tracked individually. Inter-particle and particle-wall collisions are also taken into account. To explore the effects of particles onmore » the flow turbulence, the statistics of the fluid flow such as the fluid velocity, the terms in the turbulence kinetic energy equation, the slip velocity between the two phases and velocity correlations are analysed considering ellipsoidal particles with different inertia and aspect ratio. The results of the simulations show that the turbulence is considerably attenuated, even in the very dilute regime. The reduction of the turbulence intensity is predominant near the turbulence kinetic energy peak in the near wall region, where particles preferentially accumulate. Moreover, the elongated shape of ellipsoids strengthens the turbulence attenuation. In simulations with ellipsoidal particles, the fluid-particle interactions strongly depend on the orientation of the ellipsoids. In the near wall region, ellipsoids tend to align predominantly within the streamwise (x) and wall-normal (y) planes and perpendicular to the span-wise direction, whereas no preferential orientation in the central region of the channel is observed. Important conclusions from this work include the effective viscosity of the flow is not affected, the direct dissipation by the particles is negligible, and the primary mechanism by which the particles affect the flow is by altering the turbulence structure around the turbulence kinetic energy peak.« less

Investigating the settling dynamics of cohesive silt particles with particle-resolving simulations

NASA Astrophysics Data System (ADS)

Sun, Rui; Xiao, Heng; Sun, Honglei

2018-01-01

The settling of cohesive sediment is ubiquitous in aquatic environments, and the study of the settling process is important for both engineering and environmental reasons. In the settling process, the silt particles show behaviors that are different from non-cohesive particles due to the influence of inter-particle cohesive force. For instance, the flocs formed in the settling process of cohesive silt can loosen the packing, and thus the structural densities of cohesive silt beds are much smaller than that of non-cohesive sand beds. While there is a consensus that cohesive behaviors depend on the characteristics of sediment particles (e.g., Bond number, particle size distribution), little is known about the exact influence of these characteristics on the cohesive behaviors. In addition, since the cohesive behaviors of the silt are caused by the inter-particle cohesive forces, the motions of and the contacts among silt particles should be resolved to study these cohesive behaviors in the settling process. However, studies of the cohesive behaviors of silt particles in the settling process based on particle-resolving approach are still lacking. In the present work, three-dimensional settling process is investigated numerically by using CFD-DEM (Computational Fluid Dynamics-Discrete Element Method). The inter-particle collision force, the van der Waals force, and the fluid-particle interaction forces are considered. The numerical model is used to simulate the hindered settling process of silt based on the experimental setup in the literature. The results obtained in the simulations, including the structural densities of the beds, the characteristic lines, and the particle terminal velocity, are in good agreement with the experimental observations in the literature. To the authors' knowledge, this is the first time that the influences of non-dimensional Bond number and particle polydispersity on the structural densities of silt beds have been investigated separately. The results demonstrate that the cohesive behavior of silt in the settling process is attributed to both the cohesion among silt particles themselves and the particle polydispersity. To guide to the macro-scale modeling of cohesive silt sedimentation, the collision frequency functions obtained in the numerical simulations are also presented based on the micromechanics of particles. The results obtained by using CFD-DEM indicate that the binary collision theory over-estimated the particle collision frequency in the flocculation process at high solid volume fraction.

The effect of spherical nanoparticles on rheological properties of bi-dispersed magnetorheological fluids

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

Kannappan, K. Thiruppathi, E-mail: thiruppathi.ka@gmail.com; Laherisheth, Zarana; Parekh, Kinnari

2015-06-24

In the present investigation, the rheological properties of bi-dispersed magnetorheological (MR) fluid based on Fe{sub 3}O{sub 4} nanosphere and microsphere of iron particles are experimentally investigated. The MR fluid is prepared by substituting nanosphere of 40nm Fe{sub 3}O{sub 4} particles in MR fluids having microsphere iron particles (7-8 μm). Three different weight fractions (0%, 1% and 3%) of nanosphere-microsphere MR fluids are synthesized. In the absence of the magnetic field, substitution of magnetic nanosphere decreases the viscosity lower than without substituted sample at high as well as low shear rate. Upon the application of the magnetic field, the particles alignmore » along the direction of the field, which promotes the yield stress. Here too the yield stress value decreases with magnetic nanosphere substitution. This behaviour is explain based on the inter-particle interaction as well as formation of nanosphere cloud around the magnetic microsphere, which effectively reduces the viscosity and works as weak point when chains are formed. Variation of dynamic yield stress with magnetic field is explained using microscopic model. In any event such fluid does not sediment and is not abrasive so it could be useful if not too high yield stress is needed.« less

Self-Supporting Nanodiamond Gels: Elucidating Colloidal Interactions Through Rheology_

NASA Astrophysics Data System (ADS)

Adhikari, Prajesh; Tripathi, Anurodh; Vogel, Nancy A.; Rojas, Orlando J.; Raghavan, Sriunivasa R.; Khan, Saad A.

This work investigates the colloidal interactions and rheological behavior of nanodiamond (ND) dispersions. While ND represents a promising class of nanofiller due to its high surface area, superior mechanical strength, tailorable surface functionality and biocompatibility, much remains unknown about the behavior of ND dispersions. We hypothesize that controlling interactions in ND dispersions will lead to highly functional systems with tunable modulus and shear response. Steady and dynamic rheology techniques are thus employed to systematically investigate nanodiamonds dispersed in model polar and non-polar media. We find that low concentrations of ND form gels almost instantaneously in a non-polar media. In contrast, ND's in polar media show a time-dependent behavior with the modulus increasing with time. We attribute the difference in behavior to variations in inter-particle interactions as well as the interaction of the ND with the media. Large steady and oscillatory strains are applied to ND colloidal gels to investigate the role of shear in gel microstructure breakdown and recovery. For colloidal gels in non-polar medium, the incomplete recovery of elastic modulus at high strain amplitudes indicates dominance of particle-particle interactions; however, in polar media the complete recovery of elastic modulus even at high strain amplitudes indicates dominance of particle-solvent interactions. These results taken together provide a platform to develop self-supporting gels with tunable properties in terms of ND concentration, and solvent type.

Dynamic simulations of the inhomogeneous sedimentation of rigid fibres

NASA Astrophysics Data System (ADS)

Butler, Jason E.; Shaqfeh, Eric S. G.

2002-10-01

We have simulated the dynamics of suspensions of fibres sedimenting in the limit of zero Reynolds number. In these simulations, the dominant inter-particle force arises from hydrodynamic interactions between the rigid, non-Brownian fibres. The simulation algorithm uses slender-body theory to model the linear and rotational velocities of each fibre. To include far-field interactions between the fibres, the line distribution of force on each fibre is approximated by making a Legendre polynomial expansion of the disturbance velocity on the fibre, where only the first two terms of the expansion are retained in the calculation. Thus, the resulting linear force distribution can be specified completely by a centre-of-mass force, a couple, and a stresslet. Short-range interactions between particles are included using a lubrication approximation, and an infinite suspension is simulated by using periodic boundary conditions. Our numerical results confirm that the sedimentation of these non-spherical, orientable particles differs qualitatively from the sedimentation of spherical particles. The simulations demonstrate that an initially homogeneous, settling suspension develops clusters, or streamers, which are particle rich surrounded by clarified fluid. The instability which causes the heterogeneous structure arises solely from hydrodynamic interactions which couple the particle orientation and the sedimentation rate in particle clusters. Depending upon the concentration and aspect ratio, the formation of clusters of particles can enhance the sedimentation rate of the suspension to a value in excess of the maximum settling speed of an isolated particle. The suspension of fibres tends to orient with gravity during the sedimentation process. The average velocities and orientations, as well as their distributions, compare favourably with previous experimental measurements.

Small-angle neutron scattering study of the short-range organization of dispersed CsNi[Cr(CN){sub 6}] nanoparticles

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

Ridier, Karl; Gillon, Béatrice; André, Gilles

2015-09-21

Prussian blue analogues magnetic nanoparticles (of radius R{sub 0} = 2.4–8.6 nm) embedded in PVP (polyvinylpyrrolidone) or CTA{sup +} (cetyltrimethylammonium) matrices have been studied using neutron diffraction and small angle neutron scattering (SANS) at several concentrations. For the most diluted particles in neutral PVP, the SANS signal is fully accounted for by a “single-particle” spherical form factor with no structural correlations between the nanoparticles and with radii comparable to those inferred from neutron diffraction. For higher concentration in PVP, structural correlations modify the SANS signal with the appearance of a structure factor peak, which is described using an effective “mean-field” model. A newmore » length scale R{sup * }≈ 3R{sub 0}, corresponding to an effective repulsive interaction radius, is evidenced in PVP samples. In CTA{sup +}, electrostatic interactions play a crucial role and lead to a dense layer of CTA{sup +} around the nanoparticles, which considerably alter the SANS patterns as compared to PVP. The SANS data of nanoparticles in CTA{sup +} are best described by a core-shell model without visible inter-particle structure factor.« less

Nonharmonicity in vibrated granular solids

NASA Astrophysics Data System (ADS)

Schreck, Carl

2012-02-01

We have shown that granular packings composed of frictionless particles with repulsive contact interactions are strongly nonharmonic. When infinitesimally perturbed along linear response eigenmodes of the static packing, energy leaks from the original mode of vibration to a continuum of frequencies due solely to contact breaking even when the system is under significant compression. Further, vibrated packings possess well-defined equilibrium positions that are different than those of the unperturbed packing. The vibrational density of states obtained using the displacement matrix and velocity autocorrelation function methods exhibit an increase in the number of low-frequency modes over that obtained from linear response of the static packing. The form of the density of states in vibrated granular packings is reminiscent of the low-frequency behavior of the vibrational density of states in fluid systems. We also investigate the effects of inter-particle friction, dissipation, particle shape, and degree of positional order on the density of states and thermal transport properties in driven granular packings.

Empirical solvent-mediated potentials hold for both intra-molecular and inter-molecular inter-residue interactions.

PubMed Central

Keskin, O.; Bahar, I.; Badretdinov, A. Y.; Ptitsyn, O. B.; Jernigan, R. L.

1998-01-01

Whether knowledge-based intra-molecular inter-residue potentials are valid to represent inter-molecular interactions taking place at protein-protein interfaces has been questioned in several studies. Differences in the chain connectivity effect and in residue packing geometry between interfaces and single chain monomers have been pointed out as possible sources of distinct energetics for the two cases. In the present study, the interfacial regions of protein-protein complexes are examined to extract inter-molecular inter-residue potentials, using the same statistical methods as those previously adopted for intra-molecular residue pairs. Two sets of energy parameters are derived, corresponding to solvent-mediation and "average residue" mediation. The former set is shown to be highly correlated (correlation coefficient 0.89) with that previously obtained for inter-residue interactions within single chain monomers, while the latter exhibits a weaker correlation (0.69) with its intra-molecular counterpart. In addition to the close similarity of intra- and inter-molecular solvent-mediated potentials, they are shown to be significantly more residue-specific and thereby discriminative compared to the residue-mediated ones, indicating that solvent-mediation plays a major role in controlling the effective inter-residue interactions, either at interfaces, or within single monomers. Based on this observation, a reduced set of energy parameters comprising 20 one-body and 3 two-body terms is proposed (as opposed to the 20 x 20 tables of inter-residue potentials), which reproduces the conventional 20 x 20 tables with a correlation coefficient of 0.99. PMID:9865952

Dependence of average inter-particle distance upon the temperature of neutrals in dusty plasma crystals

NASA Astrophysics Data System (ADS)

Nikolaev, V. S.; Timofeev, A. V.

2018-01-01

It is often suggested that inter-particle distance in stable dusty plasma structures decreases with cooling as a square root of neutral gas temperature. Deviations from this dependence (up to the increase at cryogenic temperatures) found in the experimental results for the pressures range 0.1-8.0 mbar and for the currents range 0.1-1.0 mA are given. Inter-particle distance dependences on the charge of particles, parameter of the trap and the screening length in surrounding plasma are obtained for different conditions from molecular dynamics simulations. They are well approximated by power functions in the mentioned range of parameters. It is found that under certain assumptions thermophoretical force is responsible for inter-particle distance increase at cryogenic temperatures.

Normal stresses in shear thickening granular suspensions.

PubMed

Pan, Zhongcheng; de Cagny, Henri; Habibi, Mehdi; Bonn, Daniel

2017-05-24

When subjected to shear, granular suspensions exhibit normal stresses perpendicular to the shear plane but the magnitude and sign of the different components of the normal stresses are still under debate. By performing both oscillatory and rotational rheology measurements on shear thickening granular suspensions and systematically varying the particle diameters and the gap sizes between two parallel-plates, we show that a transition from a positive to a negative normal stress can be observed. We find that frictional interactions which determine the shear thickening behavior of suspensions contribute to the positive normal stresses. Increasing the particle diameters or decreasing the gap sizes leads to a growing importance of hydrodynamic interactions, which results in negative normal stresses. We determine a relaxation time for the system, set by both the pore and the gap sizes, that governs the fluid flow through the inter-particle space. Finally, using a two-fluid model we determine the relative contributions from the particle phase and the liquid phase.

Plasma Inter-Particle and Particle-Wall Interactions

NASA Astrophysics Data System (ADS)

Patino, Marlene Idy

An improved understanding of plasma inter-particle and particle-wall interactions is critical to the advancement of plasma devices used for space electric propulsion, fusion, high-power communications, and next-generation energy systems. Two interactions of particular importance are (1) ion-atom collisions in the plasma bulk and (2) secondary electron emission from plasma-facing materials. For ion-atom collisions, interactions between fast ions and slow atoms are commonly dominated by charge-exchange and momentum-exchange collisions that are important to understanding the performance and behavior of many plasma devices. To investigate this behavior, this work developed a simple, well-characterized experiment that accurately measures the effects of high energy xenon ions incident on a background of xenon neutral atoms. By comparing these results to both analytical and computational models of ion-atom interactions, we discovered the importance of (1) accurately treating the differential cross-sections for momentum-exchange and charge-exchange collisions over all neutral background pressures, and (2) commonly overlooked interactions, including ion-induced electron emission and neutral-neutral ionization collisions, at high pressures. Data provide vital information on the angular scattering distributions of charge-exchange and momentum-exchange ions at 1.5 keV relevant for ion thrusters, and serve as canonical data for validation of plasma models. This work also investigates electron-induced secondary electron emission behavior relevant to materials commonly considered for plasma thrusters, fusion systems, and many other plasma devices. For such applications, secondary electron emission can alter the sheath potential, which can significantly affect device performance and life. Secondary electron emission properties were measured for materials that are critical to the efficient operation of many plasma devices, including: graphite (for tokamaks, ion thrusters, and traveling wave tubes), lithium (for tokamak walls), tungsten (the most promising material for future tokamaks such as ITER), and nickel (for plasma-enhanced chemistry). Measurements were made for incident electron energies up to 1.5 keV and angles between 0 and 78°. The most significant results from these measurements are as follows: (1) first-ever measurements of naturally-forming tungsten fuzz show a more than 40% reduction in secondary electron emission and an independence on incidence angle; (2) original measurements of lithium oxide show a 2x and 6x increase in secondary electron emission for 17% and 100% oxidation; and (3) unique measurements of Ni(110) single crystal show extrema in secondary electron emission when incidence angle is varied and an up to 36% increase at 0° over polycrystalline nickel. Each of these results are important discoveries for improving plasma devices. For example, from (1), the growth of tungsten fuzz in tokamaks is desirable for minimizing adverse secondary electron emission effects. From (2), the opposite is true for tokamaks with lithium coatings which are oxidized by typical residual gases. From (3), secondary electron emission from Ni(110) catalysts in plasma-enhanced chemistry may facilitate further reactions.

The pursuit of dark matter at colliders—an overview

NASA Astrophysics Data System (ADS)

Penning, Björn

2018-06-01

Dark matter is one of the main puzzles in fundamental physics and the goal of a diverse, multi-pronged research programme. Underground and astrophysical searches look for dark matter particles in the cosmos, either by interacting directly or by searching for dark matter annihilation. Particle colliders, in contrast, might produce dark matter in the laboratory and are able to probe most basic dark-matter–matter interactions. They are sensitive to low dark matter masses, provide complementary information at higher masses and are subject to different systematic uncertainties. Collider searches are therefore an important part of an inter-disciplinary dark matter search strategy. This article highlights the experimental and phenomenological development in collider dark matter searches of recent years and their connection with the wider field.

A multilevel-skin neighbor list algorithm for molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Chenglong; Zhao, Mingcan; Hou, Chaofeng; Ge, Wei

2018-01-01

Searching of the interaction pairs and organization of the interaction processes are important steps in molecular dynamics (MD) algorithms and are critical to the overall efficiency of the simulation. Neighbor lists are widely used for these steps, where thicker skin can reduce the frequency of list updating but is discounted by more computation in distance check for the particle pairs. In this paper, we propose a new neighbor-list-based algorithm with a precisely designed multilevel skin which can reduce unnecessary computation on inter-particle distances. The performance advantages over traditional methods are then analyzed against the main simulation parameters on Intel CPUs and MICs (many integrated cores), and are clearly demonstrated. The algorithm can be generalized for various discrete simulations using neighbor lists.

Simulation of Orientation in Injection Molding of High Aspect Ratio Particle Thermoplastic Composites

NASA Astrophysics Data System (ADS)

Vélez-García, Gregorio M.; Ortman, Kevin C.; Eberle, Aaron P. R.; Wapperom, Peter; Baird, Donald G.

2008-07-01

A 2D coupled Hele-Shaw flow approximation for predicting the flow-induced orientation of high aspect ratio particles in injection molded composite parts is presented. For a highly concentrated short glass fiber PBT suspension, the impact of inter-particle interactions and the orientation at the gate is investigated for a center-gated disk using material parameters determined from rheometry. Experimental orientation is determined from confocal laser micrographs using the methods of ellipses. The constitutive equations are discretized using discontinuous Galerkin Finite Elements. Model predictions are significantly improved by using a localized orientation measured experimentally at the gate region instead of random or averaged gapwise measured orientation assumed in previous studies. The predicted profile in different radial positions can be related to the layered structure along the gapwise direction. Model modifications including interactions have lower impact than the initial conditions.

The standard mean-field treatment of inter-particle attraction in classical DFT is better than one might expect

NASA Astrophysics Data System (ADS)

Archer, Andrew J.; Chacko, Blesson; Evans, Robert

2017-07-01

In classical density functional theory (DFT), the part of the Helmholtz free energy functional arising from attractive inter-particle interactions is often treated in a mean-field or van der Waals approximation. On the face of it, this is a somewhat crude treatment as the resulting functional generates the simple random phase approximation (RPA) for the bulk fluid pair direct correlation function. We explain why using standard mean-field DFT to describe inhomogeneous fluid structure and thermodynamics is more accurate than one might expect based on this observation. By considering the pair correlation function g(x) and structure factor S(k) of a one-dimensional model fluid, for which exact results are available, we show that the mean-field DFT, employed within the test-particle procedure, yields results much superior to those from the RPA closure of the bulk Ornstein-Zernike equation. We argue that one should not judge the quality of a DFT based solely on the approximation it generates for the bulk pair direct correlation function.

Hemodynamic (fNIRS) and EEG (N200) correlates of emotional inter-species interactions modulated by visual and auditory stimulation

PubMed Central

Balconi, Michela; Vanutelli, Maria Elide

2016-01-01

The brain activity, considered in its hemodynamic (optical imaging: functional Near-Infrared Spectroscopy, fNIRS) and electrophysiological components (event-related potentials, ERPs, N200) was monitored when subjects observed (visual stimulation, V) or observed and heard (visual + auditory stimulation, VU) situations which represented inter-species (human-animal) interactions, with an emotional positive (cooperative) or negative (uncooperative) content. In addition, the cortical lateralization effect (more left or right dorsolateral prefrontal cortex, DLPFC) was explored. Both ERP and fNIRS showed significant effects due to emotional interactions which were discussed at light of cross-modal integration effects. The significance of inter-species effect for the emotional behavior was considered. In addition, hemodynamic and EEG consonant results and their value as integrated measures were discussed at light of valence effect. PMID:26976052

Volatiles in Inter-Specific Bacterial Interactions

PubMed Central

Tyc, Olaf; Zweers, Hans; de Boer, Wietse; Garbeva, Paolina

2015-01-01

The importance of volatile organic compounds for functioning of microbes is receiving increased research attention. However, to date very little is known on how inter-specific bacterial interactions effect volatiles production as most studies have been focused on volatiles produced by monocultures of well-described bacterial genera. In this study we aimed to understand how inter-specific bacterial interactions affect the composition, production and activity of volatiles. Four phylogenetically different bacterial species namely: Chryseobacterium, Dyella, Janthinobacterium, and Tsukamurella were selected. Earlier results had shown that pairwise combinations of these bacteria induced antimicrobial activity in agar media whereas this was not the case for monocultures. In the current study, we examined if these observations were also reflected by the production of antimicrobial volatiles. Thus, the identity and antimicrobial activity of volatiles produced by the bacteria were determined in monoculture as well in pairwise combinations. Antimicrobial activity of the volatiles was assessed against fungal, oomycetal, and bacterial model organisms. Our results revealed that inter-specific bacterial interactions affected volatiles blend composition. Fungi and oomycetes showed high sensitivity to bacterial volatiles whereas the effect of volatiles on bacteria varied between no effects, growth inhibition to growth promotion depending on the volatile blend composition. In total 35 volatile compounds were detected most of which were sulfur-containing compounds. Two commonly produced sulfur-containing volatile compounds (dimethyl disulfide and dimethyl trisulfide) were tested for their effect on three target bacteria. Here, we display the importance of inter-specific interactions on bacterial volatiles production and their antimicrobial activities. PMID:26733959

Effect of the relationship between particle size, inter-particle distance, and metal loading of carbon supported fuel cell catalysts on their catalytic activity

NASA Astrophysics Data System (ADS)

Corradini, Patricia Gon; Pires, Felipe I.; Paganin, Valdecir A.; Perez, Joelma; Antolini, Ermete

2012-09-01

The effect of the relationship between particle size ( d), inter-particle distance ( x i ), and metal loading ( y) of carbon supported fuel cell Pt or PtRu catalysts on their catalytic activity, based on the optimum d (2.5-3 nm) and x i / d (>5) values, was evaluated. It was found that for y < 30 wt%, the optimum values of both d and x i / d can be always obtained. For y ≥ 30 wt%, instead, the positive effect of a thinner catalyst layer of the fuel cell electrode than that using catalysts with y < 30 wt% is concomitant to a decrease of the effective catalyst surface area due to an increase of d and/or a decrease of x i / d compared to their optimum values, with in turns gives rise to a decrease in the catalytic activity. The effect of the x i / d ratio has been successfully verified by experimental results on ethanol oxidation on PtRu/C catalysts with same particle size and same degree of alloying but different metal loading. Tests in direct ethanol fuel cells showed that, compared to 20 wt% PtRu/C, the negative effect of the lower x i / d on the catalytic activity of 30 and 40 wt% PtRu/C catalysts was superior to the positive effect of the thinner catalyst layer.

Molecular modeling studies of interactions between sodium polyacrylate polymer and calcite surface

NASA Astrophysics Data System (ADS)

Ylikantola, A.; Linnanto, J.; Knuutinen, J.; Oravilahti, A.; Toivakka, M.

2013-07-01

The interactions between calcite pigment and sodium polyacrylate dispersing agent, widely used in papermaking as paper coating components, were investigated using classical force field and quantum chemical approaches. The objective was to understand interactions between the calcite surface and sodium polyacrylate polymer at 300 K using molecular dynamics simulations. A quantum mechanical ab initio Hartree-Fock method was also used to obtain detailed information about the sodium polyacrylate polymer structure. The effect of water molecules (moisture) on the interactions was also examined. Calculations showed that molecular weight, branching and the orientation of sodium polyacrylate polymers influence the interactions between the calcite surface and the polymer. The force field applied, and also water molecules, were found to have an impact on all systems studied. Ab initio Hartree-Fock calculations indicated that there are two types of coordination between sodium atoms and carboxylate groups of the sodium polyacrylate polymer, inter- and intra-carboxylate group coordination. In addition, ab initio Hartree-Fock calculations of the structure of the sodium polyacrylate polymer produced important information regarding interactions between the polymers and carboxylated styrene-butadiene latex particles.

Gene-diet interactions with polymorphisms of the MGLL gene on plasma low-density lipoprotein cholesterol and size following an omega-3 polyunsaturated fatty acid supplementation: a clinical trial.

PubMed

Ouellette, Catherine; Rudkowska, Iwona; Lemieux, Simone; Lamarche, Benoit; Couture, Patrick; Vohl, Marie-Claude

2014-05-24

Omega-3 (n-3) polyunsaturated fatty acid (PUFA) consumption increases low-density lipoprotein (LDL) cholesterol (C) concentrations and particle size. Studies showed that individuals with large, buoyant LDL particles have decreased risk of cardiovascular diseases. However, a large inter-individual variability is observed in LDL particle size. Genetic factors may explain the variability of LDL-C concentrations and particle size after an n-3 PUFA supplementation. The monoglyceride lipase (MGLL) enzyme, encoded by the MGLL gene, plays an important role in lipid metabolism, especially lipoprotein metabolism. The aim of this study was to investigate if polymorphisms (SNPs) of the MGLL gene influence the variability of LDL-C and LDL particle size in response to an n-3 PUFA supplementation. 210 subjects completed the study. They consumed 5 g/d of a fish oil supplement (1.9-2.2 g eicosapentaenoic acid and 1.1 g docosaexaenoic acid) during 6 weeks. Plasma lipids were measured before and after the supplementation period and 18 SNPs of the MGLL gene, covering 100% of common genetic variations (minor allele frequency ≥0.05), have been genotyped using TaqMan technology (Life Technologies Inc., Burlington, ON, CA). Following the n-3 PUFA supplementation, 55% of subjects increased their LDL-C levels. In a model including the supplementation, genotype and supplementation*genotype effects, gene-diet interaction effects on LDL-C concentrations (rs782440, rs6776142, rs555183, rs6780384, rs6787155 and rs1466571) and LDL particle size (rs9877819 and rs13076593) were observed for the MGLL gene SNPs (p < 0.05). SNPs within the MGLL gene may modulate plasma LDL-C levels and particle size following an n-3 PUFA supplementation. This trial was registered at clinicaltrials.gov as NCT01343342.

Kinetic instability of electrostatic ion cyclotron waves in inter-penetrating plasmas

NASA Astrophysics Data System (ADS)

Bashir, M. F.; Ilie, R.; Murtaza, G.

2018-05-01

The Electrostatic Ion Cyclotron (EIC) instability that includes the effect of wave-particle interaction is studied owing to the free energy source through the flowing velocity of the inter-penetrating plasmas. It is shown that the origin of this current-less instability is different from the classical current driven EIC instability. The threshold conditions applicable to a wide range of plasma parameters and the estimate of the growth rate are determined as a function of the normalized flowing velocity ( u0/vt f e ), the temperature ( Tf/Ts ) and the density ratios ( nf 0/ns 0 ) of flowing component to static one. The EIC instability is driven by either flowing electrons or flowing ions, depending upon the different Doppler shifted frequency domains. It is found that the growth rate for electron-driven instability is higher than the ion-driven one. However, in both cases, the denser (hotter) is the flowing plasma, the lesser (greater) is the growth rate. The possible applications related to the terrestrial solar plasma environment are also discussed.

Liquid Crystal Phase Behaviour of Attractive Disc-Like Particles

PubMed Central

Wu, Liang; Jackson, George; Müller, Erich A.

2013-01-01

We employ a generalized van der Waals-Onsager perturbation theory to construct a free energy functional capable of describing the thermodynamic properties and orientational order of the isotropic and nematic phases of attractive disc particles. The model mesogen is a hard (purely repulsive) cylindrical disc particle decorated with an anisotropic square-well attractive potential placed at the centre of mass. Even for isotropic attractive interactions, the resulting overall inter-particle potential is anisotropic, due to the orientation-dependent excluded volume of the underlying hard core. An algebraic equation of state for attractive disc particles is developed by adopting the Onsager trial function to characterize the orientational order in the nematic phase. The theory is then used to represent the fluid-phase behaviour (vapour-liquid, isotropic-nematic, and nematic-nematic) of the oblate attractive particles for varying values of the molecular aspect ratio and parameters of the attractive potential. When compared to the phase diagram of their athermal analogues, it is seen that the addition of an attractive interaction facilitates the formation of orientationally-ordered phases. Most interestingly, for certain aspect ratios, a coexistence between two anisotropic nematic phases is exhibited by the attractive disc-like fluids. PMID:23965962

Liquid crystal phase behaviour of attractive disc-like particles.

PubMed

Wu, Liang; Jackson, George; Müller, Erich A

2013-08-08

We employ a generalized van der Waals-Onsager perturbation theory to construct a free energy functional capable of describing the thermodynamic properties and orientational order of the isotropic and nematic phases of attractive disc particles. The model mesogen is a hard (purely repulsive) cylindrical disc particle decorated with an anisotropic square-well attractive potential placed at the centre of mass. Even for isotropic attractive interactions, the resulting overall inter-particle potential is anisotropic, due to the orientation-dependent excluded volume of the underlying hard core. An algebraic equation of state for attractive disc particles is developed by adopting the Onsager trial function to characterize the orientational order in the nematic phase. The theory is then used to represent the fluid-phase behaviour (vapour-liquid, isotropic-nematic, and nematic-nematic) of the oblate attractive particles for varying values of the molecular aspect ratio and parameters of the attractive potential. When compared to the phase diagram of their athermal analogues, it is seen that the addition of an attractive interaction facilitates the formation of orientationally-ordered phases. Most interestingly, for certain aspect ratios, a coexistence between two anisotropic nematic phases is exhibited by the attractive disc-like fluids.

Building Collaborative Learning Opportunities between Future Veterinary and Design Professionals

ERIC Educational Resources Information Center

Magallanes, Fernando; Stoskopf, Michael K.; Royal, Kenneth D.

2015-01-01

Positive inter-professional collaborations and interactions facilitate the effectiveness of veterinarians working on professional teams addressing a wide range of societal challenges. The need for these interactions extend far beyond the different medical professions, which is the limit of many discussions of inter-professional relations for…

Cooper-pair size and binding energy for unconventional superconducting systems

NASA Astrophysics Data System (ADS)

Dinóla Neto, F.; Neto, Minos A.; Salmon, Octavio D. Rodriguez

2018-06-01

The main proposal of this paper is to analyze the size of the Cooper pairs composed by unbalanced mass fermions from different electronic bands along the BCS-BEC crossover and study the binding energy of the pairs. We are considering an interaction between fermions with different masses leading to an inter-band pairing. In addiction to the attractive interaction we have an hybridization term to couple both bands, which in general acts unfavorable for the pairing between the electrons. We get first order phase transitions as the hybridization breaks the Cooper pairs for the s-wave symmetry of the gap amplitude. The results show the dependence of the Cooper-pair size as a function of the hybridization for T = 0 . We also propose the structure of the binding energy of the inter-band system as a function of the two-bands quasi-particle energies.

Computational techniques for flows with finite-rate condensation

NASA Technical Reports Server (NTRS)

Candler, Graham V.

1993-01-01

A computational method to simulate the inviscid two-dimensional flow of a two-phase fluid was developed. This computational technique treats the gas phase and each of a prescribed number of particle sizes as separate fluids which are allowed to interact with one another. Thus, each particle-size class is allowed to move through the fluid at its own velocity at each point in the flow field. Mass, momentum, and energy are exchanged between each particle class and the gas phase. It is assumed that the particles do not collide with one another, so that there is no inter-particle exchange of momentum and energy. However, the particles are allowed to grow, and therefore, they may change from one size class to another. Appropriate rates of mass, momentum, and energy exchange between the gas and particle phases and between the different particle classes were developed. A numerical method was developed for use with this equation set. Several test cases were computed and show qualitative agreement with previous calculations.

Effective temperatures and the breakdown of the Stokes-Einstein relation for particle suspensions.

PubMed

Mendoza, Carlos I; Santamaría-Holek, I; Pérez-Madrid, A

2015-09-14

The short- and long-time breakdown of the classical Stokes-Einstein relation for colloidal suspensions at arbitrary volume fractions is explained here by examining the role that confinement and attractive interactions play in the intra- and inter-cage dynamics executed by the colloidal particles. We show that the measured short-time diffusion coefficient is larger than the one predicted by the classical Stokes-Einstein relation due to a non-equilibrated energy transfer between kinetic and configuration degrees of freedom. This transfer can be incorporated in an effective kinetic temperature that is higher than the temperature of the heat bath. We propose a Generalized Stokes-Einstein relation (GSER) in which the effective temperature replaces the temperature of the heat bath. This relation then allows to obtain the diffusion coefficient once the viscosity and the effective temperature are known. On the other hand, the temporary cluster formation induced by confinement and attractive interactions of hydrodynamic nature makes the long-time diffusion coefficient to be smaller than the corresponding one obtained from the classical Stokes-Einstein relation. Then, the use of the GSER allows to obtain an effective temperature that is smaller than the temperature of the heat bath. Additionally, we provide a simple expression based on a differential effective medium theory that allows to calculate the diffusion coefficient at short and long times. Comparison of our results with experiments and simulations for suspensions of hard and porous spheres shows an excellent agreement in all cases.

Understanding Radionuclide Interactions with Layered Materials

NASA Astrophysics Data System (ADS)

Wang, Y.

2015-12-01

Layered materials play an important role in nuclear waste management and environmental cleanup. Better understanding of radionuclide interactions with those materials is critical for engineering high-performance materials for various applications. This presentation will provide an overview on radionuclide interactions with two general categories of layered materials - cationic clays and anionic clays - from a perspective of nanopore confinement. Nanopores are widely present in layered materials, either as the interlayers or as inter-particle space. Nanopore confinement can significantly modify chemical reactions in those materials. This effect may cause the preferential enrichment of radionuclides in nanopores and therefore directly impact the mobility of the radionuclides. This effect also implies that conventional sorption measurements using disaggregated samples may not represent chemical conditions in actual systems. The control of material structures on ion exchange, surface complexation, and diffusion in layered materials will be systematically examined, and the related modeling approaches will be discussed. This work was performed at Sandia National Laboratories, which is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the DOE under contract DE-AC04-94AL8500.

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.

Many-body physics using cold atoms

NASA Astrophysics Data System (ADS)

Sundar, Bhuvanesh

Advances in experiments on dilute ultracold atomic gases have given us access to highly tunable quantum systems. In particular, there have been substantial improvements in achieving different kinds of interaction between atoms. As a result, utracold atomic gases oer an ideal platform to simulate many-body phenomena in condensed matter physics, and engineer other novel phenomena that are a result of the exotic interactions produced between atoms. In this dissertation, I present a series of studies that explore the physics of dilute ultracold atomic gases in different settings. In each setting, I explore a different form of the inter-particle interaction. Motivated by experiments which induce artificial spin-orbit coupling for cold fermions, I explore this system in my first project. In this project, I propose a method to perform universal quantum computation using the excitations of interacting spin-orbit coupled fermions, in which effective p-wave interactions lead to the formation of a topological superfluid. Motivated by experiments which explore the physics of exotic interactions between atoms trapped inside optical cavities, I explore this system in a second project. I calculate the phase diagram of lattice bosons trapped in an optical cavity, where the cavity modes mediates effective global range checkerboard interactions between the atoms. I compare this phase diagram with one that was recently measured experimentally. In two other projects, I explore quantum simulation of condensed matter phenomena due to spin-dependent interactions between particles. I propose a method to produce tunable spin-dependent interactions between atoms, using an optical Feshbach resonance. In one project, I use these spin-dependent interactions in an ultracold Bose-Fermi system, and propose a method to produce the Kondo model. I propose an experiment to directly observe the Kondo effect in this system. In another project, I propose using lattice bosons with a large hyperfine spin, which have Feshbach-induced spin-dependent interactions, to produce a quantum dimer model. I propose an experiment to detect the ground state in this system. In a final project, I develop tools to simulate the dynamics of fermionic superfluids in which fermions interact via a short-range interaction.

Rehearsing for real life: the impact of the InterACT Sexual Assault Prevention Program on self-reported likelihood of engaging in bystander interventions.

PubMed

Ahrens, Courtney E; Rich, Marc D; Ullman, Jodie B

2011-06-01

The interACT Sexual Assault Prevention Program is an interactive, skill-building performance based on the pedagogy of Augusto Boal's Theatre of the Oppressed. A longitudinal evaluation of this program compared pretest, posttest, and 3-month follow-up data from 509 university student participants. Results suggested that the interACT performance was successful in increasing participants' beliefs about the effectiveness of bystander interventions and the self-rated likelihood that participants would engage in bystander interventions in the future. Differences in both overall ratings and rates of change were noted. Implications of these results for research and practice are discussed.

Morphology of clusters of attractive dry and wet self-propelled spherical particle suspensions.

PubMed

Alarcón, Francisco; Valeriani, Chantal; Pagonabarraga, Ignacio

2017-01-25

In order to assess the effect of hydrodynamics in the assembly of active attractive spheres, we simulate a semi-dilute suspension of attractive self-propelled spherical particles in a quasi-two dimensional geometry comparing the case with and without hydrodynamics interactions. To start with, independent of the presence of hydrodynamics, we observe that depending on the ratio between attraction and propulsion, particles either coarsen or aggregate forming finite-size clusters. Focusing on the clustering regime, we characterize two different cluster parameters, i.e. their morphology and orientational order, and compare the case when active particles behave either as pushers or pullers (always in the regime where inter-particle attractions compete with self-propulsion). Studying cluster phases for squirmers with respect to those obtained for active Brownian disks (indicated as ABPs), we have shown that hydrodynamics alone can sustain a cluster phase of active swimmers (pullers), while ABPs form cluster phases due to the competition between attraction and self-propulsion. The structural properties of the cluster phases of squirmers and ABPs are similar, although squirmers show sensitivity to active stresses. Active Brownian disks resemble weakly pusher squirmer suspensions in terms of cluster size distribution, structure of the radius of gyration on the cluster size and degree of cluster polarity.

Effect of Young's Modulus and Surface Roughness on the Inter-Particle Friction of Granular Materials.

PubMed

Sandeep, Chitta Sai; Senetakis, Kostas

2018-01-31

In the study we experimentally examine the influence of elastic properties and surface morphology on the inter-particle friction of natural soil grains. The experiments are conducted with a custom-built micromechanical apparatus and the database is enhanced by testing engineered-reference grains. Naturally-occurring geological materials are characterized by a wide spectrum of mechanical properties (e.g., Young's modulus) and surface morphology (e.g., roughness), whereas engineered grains have much more consistent characteristics. Comparing to engineered materials, geological materials are found to display more pronounced initial plastic behavior during compression. Under the low normal load range applied in the study, between 1 and 5 N, we found that the frictional force is linearly correlated with the applied normal load, but we acknowledge that the data are found more scattered for natural soil grains, especially for rough and weathered materials which have inconsistent characteristics. The inter-particle coefficient of friction is found to be inversely correlated with the Young's modulus and the surface roughness. These findings are important in geophysical and petroleum engineering contents, since a number of applications, such as landslides and granular flows, hydraulic fracturing using proppants, and weathering process of cliffs, among others, can be simulated using discrete numerical methods. These methods employ contact mechanics properties at the grain scale and the inter-particle friction is one of these critical components. It is stressed in our study that friction is well correlated with the elastic and morphological characteristics of the grains.

Electrostatic 2D assembly of bionanoparticles on a cationic lipid monolayer.

NASA Astrophysics Data System (ADS)

Kewalramani, Sumit; Wang, Suntao; Fukuto, Masafumi; Yang, Lin; Niu, Zhongwei; Nguyen, Giang; Wang, Qian

2010-03-01

We present a grazing-incidence small-angle X-ray scattering (GISAXS) study on 2D assembly of cowpea mosaic virus (CPMV) under a mixed cationic-zwitterionic (DMTAP^+-DMPC) lipid monolayer at the air-water interface. The inter-particle and particle-lipid electrostatic interactions were varied by controlling the subphase pH and the membrane charge density. GISAXS data show that 2D crystals of CPMV are formed above a threshold membrane charge density and only in a narrow pH range just above CPMV's isoelectric point, where the charge on CPMV is expected to be weakly negative. The particle density for the 2D crystals is similar to that for the densest lattice plane in the 3D crystals of CPMV. The results show that the 2D crystallization is achieved in the part of the phase space where the electrostatic interactions are expected to maximize the adsorption of CPMV onto the lipid membrane. This electrostatics-based strategy for controlling interfacial nanoscale assembly should be generally applicable to other nanoparticles.

Correlated lateral phase separations in stacks of lipid membranes

NASA Astrophysics Data System (ADS)

Hoshino, Takuma; Komura, Shigeyuki; Andelman, David

2015-12-01

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

Four-way coupling of a three-dimensional debris flow solver to a Lagrangian Particle Simulation: method and first results

NASA Astrophysics Data System (ADS)

von Boetticher, Albrecht; Rickenmann, Dieter; McArdell, Brian; Kirchner, James W.

2017-04-01

Debris flows are dense flowing mixtures of water, clay, silt, sand and coarser particles. They are a common natural hazard in mountain regions and frequently cause severe damage. Modeling debris flows to design protection measures is still challenging due to the complex interactions within the inhomogeneous material mixture, and the sensitivity of the flow process to the channel geometry. The open-source, OpenFOAM-based finite-volume debris flow model debrisInterMixing (von Boetticher et al, 2016) defines rheology parameters based on the material properties of the debris flow mixture to reduce the number of free model parameters. As a simplification in this first model version, gravel was treated as a Coulomb-viscoplastic fluid, neglecting grain-to-grain collisions and the coupling between the coarser gravel grains and the interstitial fluid. Here we present an extension of that solver, accounting for the particle-to-particle and particle-to-boundary contacts with a Lagrangian Particle Simulation composed of spherical grains and a user-defined grain size distribution. The grain collisions of the Lagrangian particles add granular flow behavior to the finite-volume simulation of the continuous phases. The two-way coupling exchanges momentum between the phase-averaged flow in a finite volume cell, and among all individual particles contained in that cell, allowing the user to choose from a number of different drag models. The momentum exchange is implemented in the momentum equation and in the pressure equation (ensuring continuity) of the so-called PISO-loop, resulting in a stable 4-way coupling (particle-to-particle, particle-to-boundary, particle-to-fluid and fluid-to-particle) that represents the granular and viscous flow behavior of debris flow material. We will present simulations that illustrate the relative benefits and drawbacks of explicitly representing grain collisions, compared to the original debrisInterMixing solver.

Vortices in a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential

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

Zhang, Xiao-Fei, E-mail: xfzhang@ntsc.ac.cn; Du, Zhi-Jing; Tan, Ren-Bing

We consider a pair of coupled nonlinear Schrödinger equations modeling a rotating two-component Bose–Einstein condensate with tunable interactions and harmonic potential, with emphasis on the structure of vortex states by varying the strength of inter-component interaction, rotational frequency, and the aspect ratio of the harmonic potential. Our results show that the inter-component interaction greatly enhances the effect of rotation. For the case of isotropic harmonic potential and small inter-component interaction, the initial vortex structure remains unchanged. As the ratio of inter- to intra-component interactions increases, each component undergoes a transition from a vortex lattice (vortex line) in an isotropic (anisotropic)more » harmonic potential to an alternatively arranged stripe pattern, and eventually to the interwoven “serpentine” vortex sheets. Moreover, in the case of anisotropic harmonic potential the system can develop to a rotating droplet structure. -- Highlights: •Different vortex structures are obtained within the full parameter space. •Effects of system parameters on the ground state structure are discussed. •Phase transition between different vortex structures is also examined. •Present one possible way to obtain the rotating droplet structure. •Provide many possibilities to manipulate vortex in two-component BEC.« less

Optical spectroscopy and system-bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model

NASA Astrophysics Data System (ADS)

Seibt, Joachim; Sláma, Vladislav; Mančal, Tomáš

2016-12-01

Standard application of the Frenkel exciton model neglects resonance coupling between collective molecular aggregate states with different number of excitations. These inter-band coupling terms are, however, of the same magnitude as the intra-band coupling between singly excited states. We systematically derive the Frenkel exciton model from quantum chemical considerations, and identify it as a variant of the configuration interaction method. We discuss all non-negligible couplings between collective aggregate states, and provide compact formulae for their calculation. We calculate absorption spectra of molecular aggregate of carotenoids and identify significant band shifts as a result of inter-band coupling. The presence of inter-band coupling terms requires renormalization of the system-bath coupling with respect to standard formulation, but renormalization effects are found to be weak. We present detailed discussion of molecular dimer and calculate its time-resolved two-dimensional Fourier transformed spectra to find weak but noticeable effects of peak amplitude redistribution due to inter-band coupling.

Annealing cycles and the self-organization of functionalized colloids

NASA Astrophysics Data System (ADS)

Dias, Cristóvão S.; Araújo, Nuno A. M.; Telo da Gama, Margarida M.

2018-01-01

The self-assembly of functionalized (patchy) particles with directional interactions into target structures is still a challenge, despite the significant experimental advances in their synthesis. Self-assembly pathways are typically characterized by high energy barriers that hinder access to stable (equilibrium) structures. A possible strategy to tackle this challenge is to perform annealing cycles. By periodically switching on and off the inter-particle bonds, one expects to smooth-out the kinetic pathways and favor the assembly of targeted structures. Preliminary results have shown that the efficiency of annealing cycles depends strongly on their frequency. Here, we study numerically how this frequency-dependence scales with the strength of the directional interactions (size of the patch σ). We use analytical arguments to show that the scaling results from the statistics of a random walk in configurational space.

Uncovering Patterns of Inter-Urban Trip and Spatial Interaction from Social Media Check-In Data

PubMed Central

Liu, Yu; Sui, Zhengwei; Kang, Chaogui; Gao, Yong

2014-01-01

The article revisits spatial interaction and distance decay from the perspective of human mobility patterns and spatially-embedded networks based on an empirical data set. We extract nationwide inter-urban movements in China from a check-in data set that covers half a million individuals within 370 cities to analyze the underlying patterns of trips and spatial interactions. By fitting the gravity model, we find that the observed spatial interactions are governed by a power law distance decay effect. The obtained gravity model also closely reproduces the exponential trip displacement distribution. The movement of an individual, however, may not obey the same distance decay effect, leading to an ecological fallacy. We also construct a spatial network where the edge weights denote the interaction strengths. The communities detected from the network are spatially cohesive and roughly consistent with province boundaries. We attribute this pattern to different distance decay parameters between intra-province and inter-province trips. PMID:24465849

Uncovering patterns of inter-urban trip and spatial interaction from social media check-in data.

PubMed

Liu, Yu; Sui, Zhengwei; Kang, Chaogui; Gao, Yong

2014-01-01

The article revisits spatial interaction and distance decay from the perspective of human mobility patterns and spatially-embedded networks based on an empirical data set. We extract nationwide inter-urban movements in China from a check-in data set that covers half a million individuals within 370 cities to analyze the underlying patterns of trips and spatial interactions. By fitting the gravity model, we find that the observed spatial interactions are governed by a power law distance decay effect. The obtained gravity model also closely reproduces the exponential trip displacement distribution. The movement of an individual, however, may not obey the same distance decay effect, leading to an ecological fallacy. We also construct a spatial network where the edge weights denote the interaction strengths. The communities detected from the network are spatially cohesive and roughly consistent with province boundaries. We attribute this pattern to different distance decay parameters between intra-province and inter-province trips.

Soot Particle Studies - Instrument Inter-Comparison – Project Overview

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

Cross, E.; Sedlacek, A.; Onasch, T. B.

2010-03-06

An inter-comparison study of instruments designed to measure the microphysical and optical properties of soot particles was completed. The following mass-based instruments were tested: Couette Centrifugal Particle Mass Analyzer (CPMA), Time-of-Flight Aerosol Mass Spectrometer - Scanning Mobility Particle Sizer (AMS-SMPS), Single Particle Soot Photometer (SP2), Soot Particle-Aerosol Mass Spectrometer (SP-AMS) and Photoelectric Aerosol Sensor (PAS2000CE). Optical instruments measured absorption (photoacoustic, interferometric, and filter-based), scattering (in situ), and extinction (light attenuation within an optical cavity). The study covered an experimental matrix consisting of 318 runs that systematically tested the performance of instruments across a range of parameters including: fuel equivalence ratiomore » (1.8 {le} {phi} {le} 5), particle shape (mass-mobility exponent (D{sub f m}), 2.0 {le} D{sub f m} {le} 3.0), particle mobility size (30 {le} d{sub m} {le} 300 nm), black carbon mass (0.07 {le} m{sub BC} {le} 4.2 fg) and particle chemical composition. In selected runs, particles were coated with sulfuric acid or dioctyl sebacate (DOS) (0.5 {le} {Delta}r{sub ve} {le} 201 nm) where {Delta}r{sub ve} is the change in the volume equivalent radius due to the coating material. The effect of non-absorbing coatings on instrument response was determined. Changes in the morphology of fractal soot particles were monitored during coating and denuding processes and the effect of particle shape on instrument response was determined. The combination of optical and mass based measurements was used to determine the mass specific absorption coefficient for denuded soot particles. The single scattering albedo of the particles was also measured. An overview of the experiments and sample results are presented.« less

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 wall friction on flow in a quasi-2D hopper

NASA Astrophysics Data System (ADS)

Shah, Neil; Birwa, Sumit; Carballo-Ramirez, Brenda; Pleau, Mollie; Easwar, Nalini; Tewari, Shubha

Our experiments on the gravity-driven flow of spherical particles in a vertical hopper examine how the flow rate varies with opening size and wall friction. We report here on a model simulation using LAMMPS of the experimental geometry, a quasi-2D hopper. Keeping inter-particle friction fixed, the coefficient of friction at the walls is varied from 0.0 to 0.9 for a range of opening sizes. Our simulations find a steady rate of flow at each wall friction and outlet size. The Janssen effect attributes the constant rate of flow of a granular column to the column height independence of the pressure at the base, since the weight of the grains is borne in part by friction at the walls. However, we observe a constant flow regime even in the absence of wall friction, suggesting that wall friction may not be a necessary condition for pressure saturation. The observed velocities of particles near the opening are used to extrapolate their starting positions had they been in free fall. In contrast to scaling predictions, our data suggest that the height of this free-fall arch does not vary with opening size for higher frictional coefficients. We analyze the velocity traces of particles to see the range over which contact interactions remain collisional as they approach the hopper outlet.

State-of-the-art Nanofabrication in Catalysis.

PubMed

Karim, Waiz; Tschupp, Simon A; Herranz, Juan; Schmidt, Thomas J; Ekinci, Yasin; van Bokhovenac, Jeroen A

2017-04-26

We present recent developments in top-down nanofabrication that have found application in catalysis research. To unravel the complexity of catalytic systems, the design and use of models with control of size, morphology, shape and inter-particle distances is a necessity. The study of well-defined and ordered nanoparticles on a support contributes to the understanding of complex phenomena that govern reactions in heterogeneous and electro-catalysis. We review the strengths and limitations of different nanolithography methods such as electron beam lithography (EBL), photolithography, extreme ultraviolet (EUV) lithography and colloidal lithography for the creation of such highly tunable catalytic model systems and their applications in catalysis. Innovative strategies have enabled particle sizes reaching dimensions below 10 nm. It is now possible to create pairs of particles with distance controlled with an extremely high precision in the order of one nanometer. We discuss our approach to study these model systems at the single-particle level using X-ray absorption spectroscopy and show new ways to fabricate arrays of single nanoparticles or nanoparticles in pairs over a large area using EBL and EUV-achromatic Talbot lithography. These advancements have provided new insights into the active sites in metal catalysts and enhanced the understanding of the role of inter-particle interactions and catalyst supports, such as in the phenomenon of hydrogen spillover. We present a perspective on future directions for employing top-down nanofabrication in heterogeneous and electrocatalysis. The rapid development in nanofabrication and characterization methods will continue to have an impact on understanding of complex catalytic processes.

Genetic variation and co-variation for fitness between intra-population and inter-population backgrounds in the red flour beetle, Tribolium castaneum

PubMed Central

Drury, Douglas W.; Wade, Michael J.

2010-01-01

Hybrids from crosses between populations of the flour beetle, Tribolium castaneum, express varying degrees of inviability and morphological abnormalities. The proportion of allopatric population hybrids exhibiting these negative hybrid phenotypes varies widely, from 3% to 100%, depending upon the pair of populations crossed. We crossed three populations and measured two fitness components, fertility and adult offspring numbers from successful crosses, to determine how genes segregating within populations interact in inter-population hybrids to cause the negative phenotypes. With data from crosses of 40 sires from each of three populations to groups of 5 dams from their own and two divergent populations, we estimated the genetic variance and covariance for breeding value of fitness between the intra- and inter-population backgrounds and the sire × dam-population interaction variance. The latter component of the variance in breeding values estimates the change in genic effects between backgrounds owing to epistasis. Interacting genes with a positive effect, prior to fixation, in the sympatric background but a negative effect in the hybrid background cause reproductive incompatibility in the Dobzhansky-Muller speciation model. Thus, the sire × dam-population interaction provides a way to measure the progress toward speciation of genetically differentiating populations on a trait by trait basis using inter-population hybrids. PMID:21044199

FMM-Yukawa: An adaptive fast multipole method for screened Coulomb interactions

NASA Astrophysics Data System (ADS)

Huang, Jingfang; Jia, Jun; Zhang, Bo

2009-11-01

A Fortran program package is introduced for the rapid evaluation of the screened Coulomb interactions of N particles in three dimensions. The method utilizes an adaptive oct-tree structure, and is based on the new version of fast multipole method in which the exponential expansions are used to diagonalize the multipole-to-local translations. The program and its full description, as well as several closely related packages are also available at http://www.fastmultipole.org/. This paper is a brief review of the program and its performance. Catalogue identifier: AEEQ_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEQ_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL 2.0 No. of lines in distributed program, including test data, etc.: 12 385 No. of bytes in distributed program, including test data, etc.: 79 222 Distribution format: tar.gz Programming language: Fortran77 and Fortran90 Computer: Any Operating system: Any RAM: Depends on the number of particles, their distribution, and the adaptive tree structure Classification: 4.8, 4.12 Nature of problem: To evaluate the screened Coulomb potential and force field of N charged particles, and to evaluate a convolution type integral where the Green's function is the fundamental solution of the modified Helmholtz equation. Solution method: An adaptive oct-tree is generated, and a new version of fast multipole method is applied in which the "multipole-to-local" translation operator is diagonalized. Restrictions: Only three and six significant digits accuracy options are provided in this version. Unusual features: Most of the codes are written in Fortran77. Functions for memory allocation from Fortran90 and above are used in one subroutine. Additional comments: For supplementary information see http://www.fastmultipole.org/ Running time: The running time varies depending on the number of particles (denoted by N) in the system and their distribution. The running time scales linearly as a function of N for nearly uniform particle distributions. For three digits accuracy, the solver breaks even with direct summation method at about N = 750. References: [1] L. Greengard, J. Huang, A new version of the fast multipole method for screened Coulomb interactions in three dimensions, J. Comput. Phys. 180 (2002) 642-658.

Software-type Wave-Particle Interaction Analyzer on board the ARASE satellite

NASA Astrophysics Data System (ADS)

Katoh, Y.; Kojima, H.; Hikishima, M.; Takashima, T.; Asamura, K.; Miyoshi, Y.; Kasahara, Y.; Kasahara, S.; Mitani, T.; Higashio, N.; Matsuoka, A.; Ozaki, M.; Yagitani, S.; Yokota, S.; Matsuda, S.; Kitahara, M.; Shinohara, I.

2017-12-01

Wave-Particle Interaction Analyzer (WPIA) is a new type of instrumentation recently proposed by Fukuhara et al. (2009) for direct and quantitative measurements of wave-particle interactions. WPIA computes an inner product W(ti) = qE(ti)·vi, where ti is the detection timing of the i-th particle, E(ti) is the wave electric field vector at ti, and q and vi is the charge and the velocity vector of the i-th particle, respectively. Since W(ti) is the gain or the loss of the kinetic energy of the i-th particle, by accumulating W for detected particles, we obtain the net amount of the energy exchange in the region of interest. Software-type WPIA (S-WPIA) is installed in the ARASE satellite as a software function running on the mission data processor. S-WPIA on board the ARASE satellite uses electromagnetic field waveform measured by Waveform Capture (WFC) of Plasma Wave Experiment (PWE) and velocity vectors detected by Medium-Energy Particle Experiments - Electron Analyzer (MEP-e), High-Energy Electron Experiments (HEP), and Extremely High-Energy Electron Experiment (XEP). The prime target of S-WPIA is the measurement of the energy exchange between whistler-mode chorus emissions and energetic electrons in the inner magnetosphere. It is essential for S-WPIA to synchronize instruments in the time resolution better than the time scale of wave-particle interactions. Since the typical frequency of chorus emissions is a few kHz in the inner magnetosphere, the time resolution better than 10 micro-sec should be realized so as to measure the relative phase angle between wave and velocity vectors with the accuracy enough to detect the sign of W correctly. In the ARASE satellite, a dedicated system has been developed in order to realize the required time resolution for the inter-instruments communications. In this presentation, we show the principle of the WPIA and its significance as well as the implementation of S-WPIA on the ARASE satellite.

Steady Shear Viscosities of Two Hard Sphere Colloidal Dispersions

NASA Astrophysics Data System (ADS)

Cheng, Zhengdong; Chaikin, Paul M.; Phan, See-Eng; Russel, William B.; Zhu, Jixiang

1996-03-01

Though hard spheres have the simplest inter-particle potential, the many body hydrodynamic interactions are complex and the rheological properties of dispersions are not fully understood in the concentrated regime. We studied two model systems: colloidal poly-(Methyl Methacrylate) spheres with a grafted layer of poly-(12-hydroxy stearic acid) (PMMA/PHSA) and spherical Silica particles (PST-5, Nissan Chemical Industries, Ltd, Tokyo, Japan). Steady shear viscosities were measured by a Zimm viscometer. The high shear relative viscosity of the dispersions compares well with other hard sphere systems, but the low shear relative viscosity of PMMA/PHSA dispersions is η / η 0 = 50 at φ = 0.5 , higher than η / η 0 = 22 for other hard sphere systems, consistent with recently published data (Phys. Rev. Lett. 75(1995)958). Bare Silica spheres are used to clarify the effect of the grafted layer. With the silica spheres, volume fraction can be determined independent of intrinsic viscosity measurements; also, higher concentrated dispersions can be made.

Surface-Enhanced Raman Spectroscopy: Substrates and Analyzers You Can Use

NASA Astrophysics Data System (ADS)

Inscore, Frank; Shende, Chetan; Sengupta, Atanu; Huang, Hermes; Farquharson, Stuart

2010-08-01

Following the recognition of the surface-enhanced Raman scattering effect in 1977, there was an explosion of research aimed at understanding this phenomenon of molecular interactions with nano-scale particles, and more than 1000 papers were published by 1982. Since the mid-1990's there has been a resurgence in SERS-based research with the detection of single-molecules and the acknowledgement of "hot-spots". These measurements provoked new examination of SERS theory with a focus on the structure of these hot spots: fractal clusters, edges, or inter-particle gaps. Meanwhile, Real-Time Analyzers has been developing SERS-active sample systems and analyzers to exploit this phenomenon for trace chemical analysis. This presentation reviews the analytical capabilities and limitations for many of the SERS-active substrates, as well as RTA's metal-doped sol-gels. The latter includes the use of the sol-gels in sample systems and analyzers, and their application to poisons in water supplies, food contamination, drug and explosives detection and proteomics.

Molecular simulations of assembly of functionalized spherical nanoparticles

NASA Astrophysics Data System (ADS)

Seifpour, Arezou

Precise assembly of nanoparticles is crucial for creating spatially engineered materials that can be used for photonics, photovoltaic, and metamaterials applications. One way to control nanoparticle assembly is by functionalizing the nanoparticle with ligands, such as polymers, DNA, and proteins, that can manipulate the interactions between the nanoparticles in the medium the particles are placed in. This thesis research aims to design ligands to provide a new route to the programmable assembly of nanoparticles. We first investigate using Monte Carlo simulation the effect of copolymer ligands on nanoparticle assembly. We first study a single nanoparticle grafted with many copolymer chains to understand how monomer sequence (e.g. alternating ABAB, or diblock AxBx) and chemistry of the copolymers affect the grafted chain conformation at various particle diameters, grafting densities, copolymer chain lengths, and monomer-monomer interactions in an implicit small molecule solvent. We find that the size of the grafted chain varies non-monotonically with increasing blockiness of the monomer sequence for a small particle diameter. From this first study, we selected the two sequences with the most different chain conformations---alternating and diblock---and studied the effect of the sequence and a range of monomer chemistries of the copolymer on the characteristics of assembly of multiple copolymer-functionalized nanoparticles. We find that the alternating sequence produces nanoclusters that are relatively isotropic, whereas diblock sequence tends to form anisotropic structures that are smaller and more compact when the block closer to the surface is attractive and larger loosely held together clusters when the outer block is attractive. Next, we conduct molecular dynamics simulations to study the effect of DNA ligands on nanoparticle assembly. Specifically we investigate the effect of grafted DNA strand composition (e.g. G/C content, placement and sequence) and bidispersity in DNA strand lengths on the thermodynamics and structure of assembly of functionalized nanoparticles. We find that higher G/C content increases cluster dissociation temperature for smaller particles. Placement of G/C block inward along the strand decreases number of neighbors within the assembled cluster. Finally, increased bidispersity in DNA strand lengths leads a distribution of inter-particle distances in the assembled cluster.

Synchronization and Inter-Layer Interactions of Noise-Driven Neural Networks

PubMed Central

Yuniati, Anis; Mai, Te-Lun; Chen, Chi-Ming

2017-01-01

In this study, we used the Hodgkin-Huxley (HH) model of neurons to investigate the phase diagram of a developing single-layer neural network and that of a network consisting of two weakly coupled neural layers. These networks are noise driven and learn through the spike-timing-dependent plasticity (STDP) or the inverse STDP rules. We described how these networks transited from a non-synchronous background activity state (BAS) to a synchronous firing state (SFS) by varying the network connectivity and the learning efficacy. In particular, we studied the interaction between a SFS layer and a BAS layer, and investigated how synchronous firing dynamics was induced in the BAS layer. We further investigated the effect of the inter-layer interaction on a BAS to SFS repair mechanism by considering three types of neuron positioning (random, grid, and lognormal distributions) and two types of inter-layer connections (random and preferential connections). Among these scenarios, we concluded that the repair mechanism has the largest effect for a network with the lognormal neuron positioning and the preferential inter-layer connections. PMID:28197088

Synchronization and Inter-Layer Interactions of Noise-Driven Neural Networks.

PubMed

Yuniati, Anis; Mai, Te-Lun; Chen, Chi-Ming

2017-01-01

In this study, we used the Hodgkin-Huxley (HH) model of neurons to investigate the phase diagram of a developing single-layer neural network and that of a network consisting of two weakly coupled neural layers. These networks are noise driven and learn through the spike-timing-dependent plasticity (STDP) or the inverse STDP rules. We described how these networks transited from a non-synchronous background activity state (BAS) to a synchronous firing state (SFS) by varying the network connectivity and the learning efficacy. In particular, we studied the interaction between a SFS layer and a BAS layer, and investigated how synchronous firing dynamics was induced in the BAS layer. We further investigated the effect of the inter-layer interaction on a BAS to SFS repair mechanism by considering three types of neuron positioning (random, grid, and lognormal distributions) and two types of inter-layer connections (random and preferential connections). Among these scenarios, we concluded that the repair mechanism has the largest effect for a network with the lognormal neuron positioning and the preferential inter-layer connections.

An Inter-Correlational Study of the Reading Components in Profiling and Generating a Cognitive Equation for the Reading Performance of Students with Autism

ERIC Educational Resources Information Center

Elangovan, Saranya; Chia, Noel Kok Hwee

2013-01-01

Reading is a multifaceted process consisting of many interacting components. A plethora of research is available on reading. Yet, there is inadequate exploration, which ascertains the effects of the interaction of different reading components and how they affect the reading performance of students with autism. This inter-correlational research…

Repulsive four-body interactions of α particles and quasistable nuclear α -particle condensates in heavy self-conjugate nuclei

NASA Astrophysics Data System (ADS)

Bai, Dong; Ren, Zhongzhou

2018-05-01

We study the effects of repulsive four-body interactions of α particles on nuclear α -particle condensates in heavy self-conjugate nuclei using a semianalytic approach, and find that the repulsive four-body interactions could decrease the critical number of α particles, beyond which quasistable α -particle condensate states can no longer exist, even if these four-body interactions make only tiny contributions to the total energy of the Hoyle-like state of 16O. Explicitly, we study eight benchmark parameter sets, and find that the critical number Ncr decreases by |Δ Ncr|˜1 -4 from Ncr˜11 with vanishing four-body interactions. We also discuss the effects of four-body interactions on energies and radii of α -particle condensates. Our study can be useful for future experiments to study α -particle condensates in heavy self-conjugate nuclei. Also, the experimental determination of Ncr will eventually help establish a better understanding on the α -particle interactions, especially the four-body interactions.

Effect of AFT Rotor on the Inter-Rotor Flow of an Open Rotor Propulsion System

NASA Technical Reports Server (NTRS)

Slaboch, Paul E.; Stephens, David B.; Van Zante, Dale E.

2016-01-01

The effects of the aft rotor on the inter-rotor flow field of an open rotor propulsion rig were examined. A Particle Image Velocimetry (PIV) dataset that was acquired phase locked to the front rotor position has been phase averaged based on the relative phase angle between the forward and aft rotors. The aft rotor phase was determined by feature tracking in raw PIV images through an image processing algorithm. The effect of the aft rotor potential field on the inter-rotor flow were analyzed and shown to be in good agreement with Computational Fluid Dynamics (CFD) simulations. It was shown that the aft rotor had no substantial effect on the position of the forward rotor tip vortex but did have a small effect on the circulation strength of the vortex when the rotors were highly loaded.

Social Dynamics in Web Page through Inter-Agent Interaction

NASA Astrophysics Data System (ADS)

Takeuchi, Yugo; Katagiri, Yasuhiro

Social persuasion abounds in human-human interactions. Attitudes and behaviors of people are invariably influenced by the attitudes and behaviors of other people as well as our social roles/relationships toward them. In the pedagogic scene, the relationship between teacher and learner produces one of the most typical interactions, in which the teacher makes the learner spontaneously study what he/she teaches. This study is an attempt to elucidate the nature and effectiveness of social persuasion in human-computer interaction environments. We focus on the social dynamics of multi-party interactions that involve both human-agent and inter-agent interactions. An experiment is conducted in a virtual web-instruction setting employing two types of agents: conductor agents who accompany and guide each learner throughout his/her learning sessions, and domain-expert agents who provide explanations and instructions for each stage of the instructional materials. In this experiment, subjects are assigned two experimental conditions: the authorized condition, in which an agent respectfully interacts with another agent, and the non-authorized condition, in which an agent carelessly interacts with another agent. The results indicate performance improvements in the authorized condition of inter-agent interactions. An analysis is given from the perspective of the transfer of authority from inter-agent to human-agent interactions based on social conformity. We argue for pedagogic advantages of social dynamics created by multiple animated character agents.

The Particle Adventure | What is fundamental? | Fundamental

Science.gov Websites

Quiz - What particles are made of The four interactions How does matter interact? The unseen effect Half life Missing mass Particle decay mediators Virtual particles Different interactions Annihilations

Engineering matter interactions using squeezed vacuum

NASA Astrophysics Data System (ADS)

Zeytinoglu, Sina; Imamoglu, Atac; Huber, Sebastian

Virtually all interactions that are relevant for atomic and condensed matter physics are mediated by the quantum fluctuations of the electromagnetic field vacuum. Consequently, controlling the latter can be used to engineer the strength and the range of inter-particle interactions. Recent experiments have used this premise to demonstrate novel quantum phases or entangling gates by embedding electric dipoles in photonic cavities or waveguides which modify the electromagnetic fluctuations. In this submission, we demonstrate theoretically that the enhanced fluctuations in the anti-squeezed quadrature of a squeezed vacuum state allows for engineering interactions between electric dipoles without the need for a photonic cavity or waveguide. Thus, the strength and range of the resulting dipole-dipole coupling can be engineered by dynamically changing the spatial profile of the squeezed vacuum in a travelling-wave geometry. ETH-Zurich.

Engineering matter interactions using squeezed vacuum

NASA Astrophysics Data System (ADS)

Zeytinoglu, Sina; Imamoglu, Atac; Huber, Sebastian

Virtually all interactions that are relevant for atomic and condensed matter physics are mediated by the quantum fluctuations of the electromagnetic field vacuum. Consequently, controlling the latter can be used to engineer the strength and the range of inter-particle interactions. Recent experiments have used this premise to demonstrate novel quantum phases or entangling gates by embedding electric dipoles in photonic cavities or waveguides which modify the electromagnetic fluctuations. In this talk, we demonstrate theoretically that the enhanced fluctuations in the anti-squeezed quadrature of a squeezed vacuum state allows for engineering interactions between electric dipoles without the need for a photonic cavity or waveguide. Thus, the strength and range of the resulting dipole-dipole coupling can be engineered by dynamically changing the spatial profile of the squeezed vacuum in a travelling-wave geometry. ETH Zurich.

Dyon proliferation in interacting quantum spin Hall edges

NASA Astrophysics Data System (ADS)

Lee, Shu-Ping; Maciejko, Joseph

We show that a quantum spin Hall system with intra-edge multiparticle backscattering and inter-edge exchange interactions exhibits a modular invariant zero-temperature phase diagram. We establish this through mapping to a classical 2D Coulomb gas with electrically and magnetically charged particles; strong coupling phases in the quantum edge problem correspond to the proliferation of various dyons in the Coulomb gas. Distinct dyon proliferated phases can be accessed by tuning the edge Luttinger parameters, for example using a split gate geometry. This research was supported by NSERC Grant #RGPIN-2014-4608, the Canada Research Chair Program (CRC) and the Canadian Institute for Advanced Research (CIFAR).

Eddy interaction model for turbulent suspension in Reynolds-averaged Euler-Lagrange simulations of steady sheet flow

NASA Astrophysics Data System (ADS)

Cheng, Zhen; Chauchat, Julien; Hsu, Tian-Jian; Calantoni, Joseph

2018-01-01

A Reynolds-averaged Euler-Lagrange sediment transport model (CFDEM-EIM) was developed for steady sheet flow, where the inter-granular interactions were resolved and the flow turbulence was modeled with a low Reynolds number corrected k - ω turbulence closure modified for two-phase flows. To model the effect of turbulence on the sediment suspension, the interaction between the turbulent eddies and particles was simulated with an eddy interaction model (EIM). The EIM was first calibrated with measurements from dilute suspension experiments. We demonstrated that the eddy-interaction model was able to reproduce the well-known Rouse profile for suspended sediment concentration. The model results were found to be sensitive to the choice of the coefficient, C0, associated with the turbulence-sediment interaction time. A value C0 = 3 was suggested to match the measured concentration in the dilute suspension. The calibrated CFDEM-EIM was used to model a steady sheet flow experiment of lightweight coarse particles and yielded reasonable agreements with measured velocity, concentration and turbulence kinetic energy profiles. Further numerical experiments for sheet flow suggested that when C0 was decreased to C0 < 3, the simulation under-predicted the amount of suspended sediment in the dilute region and the Schmidt number is over-predicted (Sc > 1.0). Additional simulations for a range of Shields parameters between 0.3 and 1.2 confirmed that CFDEM-EIM was capable of predicting sediment transport rates similar to empirical formulations. Based on the analysis of sediment transport rate and transport layer thickness, the EIM and the resulting suspended load were shown to be important when the fall parameter is less than 1.25.

Versatile theranostics agents designed by coating ferrite nanoparticles with biocompatible polymers

NASA Astrophysics Data System (ADS)

Zahraei, M.; Marciello, M.; Lazaro-Carrillo, A.; Villanueva, A.; Herranz, F.; Talelli, M.; Costo, R.; Monshi, A.; Shahbazi-Gahrouei, D.; Amirnasr, M.; Behdadfar, B.; Morales, M. P.

2016-06-01

Three biocompatible polymers, polyethylene glycol (PEG), dextran and chitosan, have been used in this work to control the colloidal stability of magnetic nanoparticles (14 ± 5 nm in diameter) and to vary the aggregation state in order to study their effect on relaxometric and heating properties. Two different coating strategies have been deeply developed; one based on the formation of an amide bond between citric acid coated nanoparticles (NPs) and amine groups present on the polymer surface and the other based on the NP encapsulation. Relaxometric properties revealed that proton relaxation rates strongly depend on the coating layer hydrophilicity and the aggregation state of the particles due to the presence of magnetic interactions. Thus, while PEG coating reduces particle aggregation by increasing inter-particle spacing leading to reduction of both T1 and T2 relaxation, dextran and chitosan lead to an increase mainly in T2 values due to the aggregation of particles in bigger clusters where they are in close contact. Dextran and chitosan coated NPs have also shown a remarkable heating effect during the application of an alternating magnetic field. They have proved to be potential candidates as theranostic agents for cancer diagnosis and treatment. Finally, cytotoxicity of PEG conjugated NPs, which seem to be ideal for intravenous administration because of their small hydrodynamic size, was investigated resulting in high cell viability even at 0.2 mg Fe ml-1 after 24 h of incubation. This suspension can be used as drug/biomolecule carrier for in vivo applications.

Bright solitons in non-equilibrium coherent quantum matter

PubMed Central

Pinsker, F.; Flayac, H.

2016-01-01

We theoretically demonstrate a mechanism for bright soliton generation in spinor non-equilibrium Bose–Einstein condensates made of atoms or quasi-particles such as polaritons in semiconductor microcavities. We give analytical expressions for bright (half) solitons as minimizing functions of a generalized non-conservative Lagrangian elucidating the unique features of inter and intra-competition in non-equilibrium systems. The analytical results are supported by a detailed numerical analysis that further shows the rich soliton dynamics inferred by their instability and mutual cross-interactions. PMID:26997892

Optimizing immobilized enzyme performance in cell-free environments to produce liquid fuels.

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

Kumar, Sanat

The overall goal of this project was to optimize enzyme performance for the production of bio-diesel fuel. Enzyme immobilization has attracted much attention as a means to increase productivity. Mesorporous silica materials have been known to be best suited for immobilizing enzymes. A major challenge is to ensure that the enzymatic activity is retained after immobilization. Two major factors which drive enzymatic deactivation are protein-surface and inter-protein interactions. Previously, we studied protein stability inside pores and how to optimize protein-surface interactions to minimize protein denaturation. In this work we studied eh effect of surface curvature and chemistry on inter-protein interactions.more » Our goal was to find suitable immobilization supports which minimize these inter-protein interactions. Our studies carried out in the frame work of Hydrophobic-Polar (HP) model showed that enzymes immobilized inside hydrophobic pores of optimal sizes are best suited to minimize these inter-protein interactions. Besides, this study is also of biological importance to understand the role of chaperonins in protein disaggregation. Both of these aspects profited immensely with collaborations with our experimental colleague, Prof. Georges Belfort (RPI), who performed the experimental analog of our theoretical works.« less

An examination of student attitudes and understanding of exponential functions using interactive instructional multimedia

NASA Astrophysics Data System (ADS)

Singleton, Cynthia M.

The purpose of this study was to examine students' attitudes and understanding of exponential functions using InterAct Math, a mathematics tutorial software. The researcher used a convenience sampling of a total of 78 students from two intact pre-calculus classes; the students in the experimental group totaled 41 and the control group totaled 37. The two groups were exposed to the same curriculum content taught by the same instructor, the researcher. The experimental group used the mathematics tutorial software as an integral part of the instructional delivery. The control group used traditional instruction without integration of the educational technology. Data were collected during a two week span using a mixed-methodology to address the major research questions: (1) Is there a statistically significant difference in the mean achievement test scores between the experimental and the control groups? (2) Is there a statistically significant difference in students' attitudes toward learning mathematics between the experimental group and the control group? The researcher utilized paired t-tests and independent t-tests as statistical methods to evaluate the effectiveness of the intervention and to establish whether there was a significant difference between the experimental and control groups. Based on the analyses of the quantitative data, it was established that the students who received the InterAct Math tutorial (experimental group) did not perform better than the control group on exponential functions, graphs and applications. However, the quantitative part of the study (Aiken-Dreger Mathematics Attitude Scale) revealed that, while students in the experimental and control groups started with similar attitudes about mathematics and the integration of technology, their attitudes were significantly different at the conclusion of the study. The fear of mathematics was reduced for the experimental group at the end of the study, and their enjoyment of the subject matter was increased as a result of the intervention. No significant difference was reported concerning attitudes toward fear and enjoyment of learning mathematics for the control group. The researcher concluded that the use of InterAct Math tutorial software as part of the instructional delivery was beneficial and contributed to a positive attitude change. Other qualitative data obtained from the unstructured interviews of the treatment group supported these findings and reported that the change in attitudes was attributable to the use of the InterAct software in the instructional delivery of the course. The researcher concluded that the results of the study did not provide evidence that InterAct Math software could be credited with producing better learning outcomes. However, it appears that the InterAct Math tutorial software is an effective tutorial tool in promoting positive change in students' attitudes toward learning mathematics; thus, it is an effective tool for mathematics instruction. Based on the above results, it was concluded that the InterAct Math tutorial is an effective tutorial tool in promoting positive attitude change in students toward learning mathematics.

Topological superconductivity and the fractional Josephson effect in quasi-one dimensional wires on a plane

NASA Astrophysics Data System (ADS)

Nakhmedov, E.; Mammadova, S.; Alekperov, O.

2016-01-01

A time-reversal invariant topological superconductivity is suggested to be realized in a quasi-one-dimensional structure on a plane, which is fabricated by filling the superconducting materials into the periodic channel of dielectric matrices like zeolite and asbestos under high pressure. The topological superconducting phase sets up in the presence of large spin-orbit interactions when intra-wire s-wave and inter-wire d-wave pairings take place. Kramers pairs of Majorana bound states emerge at the edges of each wire. We analyze effects of the Zeeman magnetic field on Majorana zero-energy states. In-plane magnetic field was shown to make asymmetric the energy dispersion, nevertheless Majorana fermions survive due to protection of a particle-hole symmetry. Tunneling of Majorana quasiparticle from the end of one wire to the nearest-neighboring one yields edge fractional Josephson current with 4π-periodicity.

Quantum ratchet in two-dimensional semiconductors with Rashba spin-orbit interaction

PubMed Central

Ang, Yee Sin; Ma, Zhongshui; Zhang, Chao

2015-01-01

Ratchet is a device that produces direct current of particles when driven by an unbiased force. We demonstrate a simple scattering quantum ratchet based on an asymmetrical quantum tunneling effect in two-dimensional electron gas with Rashba spin-orbit interaction (R2DEG). We consider the tunneling of electrons across a square potential barrier sandwiched by interface scattering potentials of unequal strengths on its either sides. It is found that while the intra-spin tunneling probabilities remain unchanged, the inter-spin-subband tunneling probabilities of electrons crossing the barrier in one direction is unequal to that of the opposite direction. Hence, when the system is driven by an unbiased periodic force, a directional flow of electron current is generated. The scattering quantum ratchet in R2DEG is conceptually simple and is capable of converting a.c. driving force into a rectified current without the need of additional symmetry breaking mechanism or external magnetic field. PMID:25598490

Effectiveness of motor sequential learning according to practice schedules in healthy adults; distributed practice versus massed practice

PubMed Central

Kwon, Yong Hyun; Kwon, Jung Won; Lee, Myoung Hee

2015-01-01

[Purpose] The purpose of the current study was to compare the effectiveness of motor sequential learning according to two different types of practice schedules, distributed practice schedule (two 12-hour inter-trial intervals) and massed practice schedule (two 10-minute inter-trial intervals) using a serial reaction time (SRT) task. [Subjects and Methods] Thirty healthy subjects were recruited and then randomly and evenly assigned to either the distributed practice group or the massed practice group. All subjects performed three consecutive sessions of the SRT task following one of the two different types of practice schedules. Distributed practice was scheduled for two 12-hour inter-session intervals including sleeping time, whereas massed practice was administered for two 10-minute inter-session intervals. Response time (RT) and response accuracy (RA) were measured in at pre-test, mid-test, and post-test. [Results] For RT, univariate analysis demonstrated significant main effects in the within-group comparison of the three tests as well as the interaction effect of two groups × three tests, whereas the between-group comparison showed no significant effect. The results for RA showed no significant differences in neither the between-group comparison nor the interaction effect of two groups × three tests, whereas the within-group comparison of the three tests showed a significant main effect. [Conclusion] Distributed practice led to enhancement of motor skill acquisition at the first inter-session interval as well as at the second inter-interval the following day, compared to massed practice. Consequentially, the results of this study suggest that a distributed practice schedule can enhance the effectiveness of motor sequential learning in 1-day learning as well as for two days learning formats compared to massed practice. PMID:25931727

Pairwise Interaction Extended Point-Particle (PIEP) model for multiphase jets and sedimenting particles

NASA Astrophysics Data System (ADS)

Liu, Kai; Balachandar, S.

2017-11-01

We perform a series of Euler-Lagrange direct numerical simulations (DNS) for multiphase jets and sedimenting particles. The forces the flow exerts on the particles in these two-way coupled simulations are computed using the Basset-Bousinesq-Oseen (BBO) equations. These forces do not explicitly account for particle-particle interactions, even though such pairwise interactions induced by the perturbations from neighboring particles may be important especially when the particle volume fraction is high. Such effects have been largely unaddressed in the literature. Here, we implement the Pairwise Interaction Extended Point-Particle (PIEP) model to simulate the effect of neighboring particle pairs. A simple collision model is also applied to avoid unphysical overlapping of solid spherical particles. The simulation results indicate that the PIEP model provides a more elaborative and complicated movement of the dispersed phase (droplets and particles). Office of Naval Research (ONR) Multidisciplinary University Research Initiative (MURI) project N00014-16-1-2617.

Interaction of cationic surfactants with DNA: a single-molecule study

PubMed Central

Husale, Sudhir; Grange, Wilfried; Karle, Marc; Bürgi, Stephan; Hegner, Martin

2008-01-01

The interaction of cationic surfactants with single dsDNA molecules has been studied using force-measuring optical tweezers. For hydrophobic chains of length 12 and greater, pulling experiments show characteristic features (e.g. hysteresis between the pulling and relaxation curves, force-plateau along the force curves), typical of a condensed phase (compaction of a long DNA into a micron-sized particle). Depending on the length of the hydrophobic chain of the surfactant, we observe different mechanical behaviours of the complex (DNA-surfactants), which provide evidence for different binding modes. Taken together, our measurements suggest that short-chain surfactants, which do not induce any condensation, could lie down on the DNA surface and directly interact with the DNA grooves through hydrophobic–hydrophobic interactions. In contrast, long-chain surfactants could have their aliphatic tails pointing away from the DNA surface, which could promote inter-molecular interactions between hydrophobic chains and subsequently favour DNA condensation. PMID:18203749

Factors affecting particle collection by electro-osmosis in microfluidic systems.

PubMed

Mohtar, Mohd Nazim; Hoettges, Kai F; Hughes, Michael P

2014-02-01

Alternating-current electro-osmosis, a phenomenon of fluid transport due to the interaction between an electrical double layer and a tangential electric field, has been used both for inducing fluid movement and for the concentration of particles suspended in the fluid. This offers many advantages over other phenomena used to trap particles, such as placing particles at an electrode centre rather than an edge; benefits of scale, where electrodes hundreds of micrometers across can trap particles from the molecules to cells at the same rate; and a trapping volume limited by the vortex height, a phenomenon thus far unstudied. In this paper, the collection of particles due to alternating-current electro-osmosis driven collection is examined for a range of particle concentrations, inter-electrode gap widths, chamber heights and media viscosity and density. A model of collection behaviour is described where particle collection over time is governed by two processes, one driven by the vortices and the other by sedimentation, allowing the determination of the maximum height of vortex-driven collection, but also indicates how trapping is limited by high particle concentrations and fluid velocities. The results also indicate that viscosity, rather than density, is a significant governing factor in determining the trapping behaviour of particles. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

From the depletion attraction to the bridging attraction: the effect of solvent molecules on the effective colloidal interactions.

PubMed

Chen, Jie; Kline, Steven R; Liu, Yun

2015-02-28

Depletion attraction induced by non-adsorbing polymers or small particles in colloidal solutions has been widely used as a model colloidal interaction to understand aggregation behavior and phase diagrams, such as glass transitions and gelation. However, much less attention has been paid to study the effective colloidal interaction when small particles/molecules can be reversibly attracted to large colloidal particles. At the strong attraction limit, small particles can introduce bridging attraction as it can simultaneously attach to neighbouring large colloidal particles. We use Baxter's multi-component method for sticky hard sphere systems with the Percus-Yevick approximation to study the bridging attraction and its consequence to phase diagrams, which are controlled by the concentration of small particles and their interaction with large particles. When the concentration of small particles is very low, the bridging attraction strength increases very fast with the increase of small particle concentration. The attraction strength eventually reaches a maximum bridging attraction (MBA). Adding more small particles after the MBA concentration keeps decreasing the attraction strength until reaching a concentration above which the net effect of small particles only introduces an effective repulsion between large colloidal particles. These behaviors are qualitatively different from the concentration dependence of the depletion attraction on small particles and make phase diagrams very rich for bridging attraction systems. We calculate the spinodal and binodal regions, the percolation lines, the MBA lines, and the equivalent hard sphere interaction line for bridging attraction systems and have proposed a simple analytic solution to calculate the effective attraction strength using the concentrations of large and small particles. Our theoretical results are found to be consistent with experimental results reported recently.

Exactly soluble model of the time-resolved fluorescence return to thermal equilibrium in many-particle systems after excitation

NASA Astrophysics Data System (ADS)

Czachor, Andrzej

2016-02-01

In this paper we consider the assembly of weakly interacting identical particles, where the occupation of single-particle energy-levels at thermal equilibrium is governed by statistics. The analytic form of the inter-energy-level jump matrix is derived and analytic solution of the related eigen-problem is given. It allows one to demonstrate the nature of decline in time of the energy emission (fluorescence, recombination) of such many-level system after excitation in a relatively simple and unifying way - as a multi-exponential de-excitation. For the system of L energy levels the number of the de-excitation lifetimes is L-1. The lifetimes depend on the energy level spectrum as a whole. Two- and three-level systems are considered in detail. The impact of the energy level degeneracy on the lifetimes is discussed.

Quantifying non-ergodic dynamics of force-free granular gases.

PubMed

Bodrova, Anna; Chechkin, Aleksei V; Cherstvy, Andrey G; Metzler, Ralf

2015-09-14

Brownian motion is ergodic in the Boltzmann-Khinchin sense that long time averages of physical observables such as the mean squared displacement provide the same information as the corresponding ensemble average, even at out-of-equilibrium conditions. This property is the fundamental prerequisite for single particle tracking and its analysis in simple liquids. We study analytically and by event-driven molecular dynamics simulations the dynamics of force-free cooling granular gases and reveal a violation of ergodicity in this Boltzmann-Khinchin sense as well as distinct ageing of the system. Such granular gases comprise materials such as dilute gases of stones, sand, various types of powders, or large molecules, and their mixtures are ubiquitous in Nature and technology, in particular in Space. We treat-depending on the physical-chemical properties of the inter-particle interaction upon their pair collisions-both a constant and a velocity-dependent (viscoelastic) restitution coefficient ε. Moreover we compare the granular gas dynamics with an effective single particle stochastic model based on an underdamped Langevin equation with time dependent diffusivity. We find that both models share the same behaviour of the ensemble mean squared displacement (MSD) and the velocity correlations in the limit of weak dissipation. Qualitatively, the reported non-ergodic behaviour is generic for granular gases with any realistic dependence of ε on the impact velocity of particles.

Synthesis and characterization of nanometric magnetite coated by oleic acid and the surfactant CTAB. Surfactant coated nanometric magnetite/maghemite

NASA Astrophysics Data System (ADS)

Celis, J. Almazán; Olea Mejía, O. F.; Cabral-Prieto, A.; García-Sosa, I.; Derat-Escudero, R.; Baggio Saitovitch, E. M.; Alzamora Camarena, M.

2017-11-01

Nanometric magnetite ( nm-Fe3O4) particles were prepared by the reverse co-precipitation synthesis method, obtaining particle sizes that ranged from 4 to 8.5 nm. In their synthesis, the concentration of iron salts of ferric nitrate, Fe(NO3)3ṡ9H2O, and ferrous sulfate, FeSO4ṡ7H2O, were varied relative to the chemical reaction volume and by using different surfactants such as oleic acid (OA) and hexadecyltrimethylammonium bromide (CTAB). The nm-Fe3O4 particles were characterized by transmission electron microscopy (TEM), Mössbauer spectroscopy (MS), magnetic and X-ray diffraction (XRD) measurements. Typical asymmetrical and/or broad lines shapes appeared in all Mössbauer spectra of the as prepared samples suggesting strong magnetic inter-particle interactions, reducing these interactions to some extent by gentle mechanical grinding. For the smallest particles, maghemite instead of magnetite was the main preparation product as low temperature Mössbauer and magnetic measurements indicated. For the intermediate and largest particles a mixture of magnetite and maghemite phases were produced as the saturation magnetization values of MS ˜ 60 emu/g indicated; these values were measured for most samples, independently of the coating surfactant concentration, and according to the ZFC-FC curves the blocking temperatures were 225K and 275K for the smallest and largest magnetite nanoparticles, respectively. The synthesis method was highly reproducible.

Branching points in the low-temperature dipolar hard sphere fluid

NASA Astrophysics Data System (ADS)

Rovigatti, Lorenzo; Kantorovich, Sofia; Ivanov, Alexey O.; Tavares, José Maria; Sciortino, Francesco

2013-10-01

In this contribution, we investigate the low-temperature, low-density behaviour of dipolar hard-sphere (DHS) particles, i.e., hard spheres with dipoles embedded in their centre. We aim at describing the DHS fluid in terms of a network of chains and rings (the fundamental clusters) held together by branching points (defects) of different nature. We first introduce a systematic way of classifying inter-cluster connections according to their topology, and then employ this classification to analyse the geometric and thermodynamic properties of each class of defects, as extracted from state-of-the-art equilibrium Monte Carlo simulations. By computing the average density and energetic cost of each defect class, we find that the relevant contribution to inter-cluster interactions is indeed provided by (rare) three-way junctions and by four-way junctions arising from parallel or anti-parallel locally linear aggregates. All other (numerous) defects are either intra-cluster or associated to low cluster-cluster interaction energies, suggesting that these defects do not play a significant part in the thermodynamic description of the self-assembly processes of dipolar hard spheres.

Elasto-capillary interactions of drops and particles

NASA Astrophysics Data System (ADS)

Snoeijer, Jacco; Pandey, Anupam; Karpitschka, Stefan; Nawijn, Charlotte; Botto, Lorenzo; Andreotti, Bruno

2017-11-01

The interaction of solid particles floating on a liquid interface is popularly known as the Cheerios effect. Here we present similar interactions for particles and droplets on elastic surfaces, mediated by elastic deformation. We start with the Inverted Cheerios effect, by considering liquid drops on a solid gel. Remarkably, the interaction can be tuned from attractive to repulsive, as shown experimentally and theoretically. We then turn to more general cases of particles on elastic layers, for which new interaction laws are derived. An overview is given on the various regimes, including the crossover from purely elastic to purely capillary interfaces. ERC Consolidator Grant 616918.

Inter-conversion of Chromium Species During Air Sampling: Effects of O3, NO2, SO2, Particle Matrices, Temperature and Humidity

PubMed Central

Huang, Lihui; Fan, Zhihua (Tina); Yu, Chang Ho; Hopke, Philip K.; Lioy, Paul J.; Buckley, Brian T.; Lin, Lin; Ma, Yingjun

2013-01-01

The inter-conversion between Cr(VI), a pulmonary carcinogen, and Cr(III), an essential human nutrient, poses challenges to the measurement of Cr(VI) in airborne particles. Chamber and field tests were conducted to identify the factors affecting Cr(VI)-Cr(III) inter-conversion in the basic filter medium under typical sampling conditions. In the chamber tests, isotopically enriched 53Cr(VI) and 50Cr(III) were spiked on diesel particulate matter (DPM) and secondary organic aerosol (SOA) that were pre-collected on a basic MCE filter. The filter samples were then exposed to clean air or the air containing SO2 (50 and 160 ppb), 100 ppb O3, or 150 ppb NO2 for 24 hours at 16.7 LPM flow rate at designated temperature (20 and 31°C) and RH (40% and 70%) conditions. Exposure to 160 ppb SO2 had the greatest effect on 53Cr(VI) reduction, with 53Cr(VI) recovery of 31.7 ± 15.8% (DPM) and 42.0 ± 7.9% (SOA). DPM and SOA matrix induced 53Cr(VI) reduction when exposed to clean air while reactive oxygen species in SOA could promote 50Cr(III) oxidation. Deliquescence when RH increased from 40% to 70% led to conversion of Cr(III) in SOA, whereas oxidized organics in DPM and SOA enhanced hygroscopicity and thus facilitated Cr(VI) reduction. Field tests showed seasonal variation of Cr(VI)-Cr(III) inter-conversion during sampling. Correction of the inter-conversion using USEPA method 6800 is recommended to improve accuracy of ambient Cr(VI) measurements. PMID:23550818

Optical binding of two microparticles levitated in vacuum

NASA Astrophysics Data System (ADS)

Arita, Yoshihiko; Wright, Ewan M.; Dholakia, Kishan

2017-04-01

Optical binding refers to an optically mediated inter-particle interaction that creates new equilibrium positions for closely spaced particles [1-5]. Optical binding of mesoscopic particles levitated in vacuum can pave the way towards the realisation of a large scale quantum bound array in cavity-optomechanics [6-9]. Recently we have demonstrated trapping and rotation of two mesoscopic particles in vacuum using a spatial-light-modulator-based approach to trap more than one particle, induce controlled rotation of individual particles, and mediate interparticle separation [10]. By trapping and rotating two vaterite particles, we observe intensity modulation of the scattered light at the sum and difference frequencies with respect to the individual rotation rates. This first demonstration of optical interference between two microparticles in vacuum has lead to a platform to explore optical binding. Here we demonstrate for the first time optically bound two microparticles mediated by light scattering in vacuum. We investigate autocorrelations between the two normal modes of oscillation, which are determined by the centre-of-mass and the relative positions of the two-particle system. In situ determination of the optical restoring force acting on the bound particles are based on measurement of the oscillation frequencies of the autocorrelation functions of the two normal modes, thereby providing a powerful and original platform to explore multiparticle entanglement in cavity-optomechanics.

Inter-subband structure factor for a quasi-one-dimensional polaron gas

NASA Astrophysics Data System (ADS)

Machado, Paulo César Miranda; Osório, Francisco Aparecido Pinto; Borges, Antônio Newton

2016-08-01

In this work, the collective excitation spectra of quasi-one-dimensional plasmon in a rectangular GaAs quantum wire is investigated. Our calculations are performed within the Singwi, Tosi, Land and Sjölander (STLS) self-consistent theory taking into account the plasmon-longitudinal optical (LO) phonon coupling effects. We have employed a three subband model with only the first subband occupied by electrons and we have considered intra-subband and inter-subband transitions. We show that the polaronic effects cause the appearance of dips and oscillations in the static structure factor dispersion relation, which are directly related with the oscillator strength transfer between the collective excitation energy branches. We have also observed oscillations in the pair-correlation function that are characteristic of inter-subband transitions and it denotes partial localization of the particle.

Analysis of SAT Type Foot-And-Mouth Disease Virus Capsid Proteins and the Identification of Putative Amino Acid Residues Affecting Virus Stability

PubMed Central

Maree, Francois F.; Blignaut, Belinda; de Beer, Tjaart A. P.; Rieder, Elizabeth

2013-01-01

Foot-and-mouth disease virus (FMDV) initiates infection by adhering to integrin receptors on target cells, followed by cell entry and disassembly of the virion through acidification within endosomes. Mild heating of the virions also leads to irreversible dissociation into pentamers, a characteristic linked to reduced vaccine efficacy. In this study, the structural stability of intra- and inter-serotype chimeric SAT2 and SAT3 virus particles to various conditions including low pH, mild temperatures or high ionic strength, was compared. Our results demonstrated that while both the SAT2 and SAT3 infectious capsids displayed different sensitivities in a series of low pH buffers, their stability profiles were comparable at high temperatures or high ionic strength conditions. Recombinant vSAT2 and intra-serotype chimeric viruses were used to map the amino acid differences in the capsid proteins of viruses with disparate low pH stabilities. Four His residues at the inter-pentamer interface were identified that change protonation states at pH 6.0. Of these, the H145 of VP3 appears to be involved in interactions with A141 in VP3 and K63 in VP2, and may be involved in orientating H142 of VP3 for interaction at the inter-pentamer interfaces. PMID:23717387

Surface roughness of Saturn's rings and ring particles inferred from thermal phase curves

NASA Astrophysics Data System (ADS)

Morishima, Ryuji; Turner, Neal J.; Spilker, Linda

2017-10-01

We analyze thermal phase curves of all the main rings of Saturn (the A, B, C rings, and the Cassini division) measured by both the far-IR and mid-IR detectors of the Cassini Composite InfraRed Spectrometer (CIRS). All the rings show temperature increases toward zero phase angle, known as an opposition effect or thermal beaming. For the C ring and Cassini division, which have low optical depths, intra-particle shadowing is considered the dominant mechanism causing the effect. On the other hand, the phase curves of the optically thick B and A rings steepen significantly with decreasing absolute solar elevation angle from 21° to 14°, suggesting inter-particle shadowing plays an important role in these rings. We employ an analytic roughness model to estimate the degrees of surface roughness of the rings or ring particles. For optically thin rings, an isolated particle covered by spherical segment craters is employed while for the thick rings we approximate a packed particle layer as a slab covered by craters. The particles in the thin rings are found to have generally rough surfaces, except in the middle C ring. Across the C ring, the optical depth correlates with the degree of surface roughness. This may indicate that surface roughness comes mainly from particle clumping, while individual particles have rather smooth surfaces. For the optically thick rings, the surface roughness of the particle layer is found to be moderate. The modeled phase curves of optically thick rings are shallow if the phase angle change is primarily due to change of observer azimuthal angle. On the other hand, the phase curves are steep if the phase angle change is due to change of observer elevation angle, as inter-particle shadows become visible at higher observer elevation. In addition, the area of shadowed facets increases with decreasing solar elevation angle. These combined effects explain the large seasonal change of the phase curve steepness observed for the thick rings. The degrees of surface roughness inferred from the thermal phase curves are generally less than those from the phase curves in visible light. This is probably explained by different roughness scales seen in thermal and visible light.

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

Ballouz, Ronald-Louis; Richardson, Derek C.; Morishima, Ryuji

We study the B ring’s complex optical depth structure. The source of this structure may be the complex dynamics of the Keplerian shear and the self-gravity of the ring particles. The outcome of these dynamic effects depends sensitively on the collisional and physical properties of the particles. Two mechanisms can emerge that dominate the macroscopic physical structure of the ring: self-gravity wakes and viscous overstability. Here we study the interplay between these two mechanisms by using our recently developed particle collision method that allows us to better model the inter-particle contact physics. We find that for a constant ring surfacemore » density and particle internal density, particles with rough surfaces tend to produce axisymmetric ring features associated with the viscous overstability, while particles with smoother surfaces produce self-gravity wakes.« less

Exploring the inter-molecular interactions in amyloid-β protofibril with molecular dynamics simulations and molecular mechanics Poisson-Boltzmann surface area free energy calculations.

PubMed

Liu, Fu-Feng; Liu, Zhen; Bai, Shu; Dong, Xiao-Yan; Sun, Yan

2012-04-14

Aggregation of amyloid-β (Aβ) peptides correlates with the pathology of Alzheimer's disease. However, the inter-molecular interactions between Aβ protofibril remain elusive. Herein, molecular mechanics Poisson-Boltzmann surface area analysis based on all-atom molecular dynamics simulations was performed to study the inter-molecular interactions in Aβ(17-42) protofibril. It is found that the nonpolar interactions are the important forces to stabilize the Aβ(17-42) protofibril, while electrostatic interactions play a minor role. Through free energy decomposition, 18 residues of the Aβ(17-42) are identified to provide interaction energy lower than -2.5 kcal/mol. The nonpolar interactions are mainly provided by the main chain of the peptide and the side chains of nine hydrophobic residues (Leu17, Phe19, Phe20, Leu32, Leu34, Met35, Val36, Val40, and Ile41). However, the electrostatic interactions are mainly supplied by the main chains of six hydrophobic residues (Phe19, Phe20, Val24, Met35, Val36, and Val40) and the side chains of the charged residues (Glu22, Asp23, and Lys28). In the electrostatic interactions, the overwhelming majority of hydrogen bonds involve the main chains of Aβ as well as the guanidinium group of the charged side chain of Lys28. The work has thus elucidated the molecular mechanism of the inter-molecular interactions between Aβ monomers in Aβ(17-42) protofibril, and the findings are considered critical for exploring effective agents for the inhibition of Aβ aggregation.

Exploring the inter-molecular interactions in amyloid-β protofibril with molecular dynamics simulations and molecular mechanics Poisson-Boltzmann surface area free energy calculations

NASA Astrophysics Data System (ADS)

Liu, Fu-Feng; Liu, Zhen; Bai, Shu; Dong, Xiao-Yan; Sun, Yan

2012-04-01

Aggregation of amyloid-β (Aβ) peptides correlates with the pathology of Alzheimer's disease. However, the inter-molecular interactions between Aβ protofibril remain elusive. Herein, molecular mechanics Poisson-Boltzmann surface area analysis based on all-atom molecular dynamics simulations was performed to study the inter-molecular interactions in Aβ17-42 protofibril. It is found that the nonpolar interactions are the important forces to stabilize the Aβ17-42 protofibril, while electrostatic interactions play a minor role. Through free energy decomposition, 18 residues of the Aβ17-42 are identified to provide interaction energy lower than -2.5 kcal/mol. The nonpolar interactions are mainly provided by the main chain of the peptide and the side chains of nine hydrophobic residues (Leu17, Phe19, Phe20, Leu32, Leu34, Met35, Val36, Val40, and Ile41). However, the electrostatic interactions are mainly supplied by the main chains of six hydrophobic residues (Phe19, Phe20, Val24, Met35, Val36, and Val40) and the side chains of the charged residues (Glu22, Asp23, and Lys28). In the electrostatic interactions, the overwhelming majority of hydrogen bonds involve the main chains of Aβ as well as the guanidinium group of the charged side chain of Lys28. The work has thus elucidated the molecular mechanism of the inter-molecular interactions between Aβ monomers in Aβ17-42 protofibril, and the findings are considered critical for exploring effective agents for the inhibition of Aβ aggregation.

Modelling and simulation of particle-particle interaction in a magnetophoretic bio-separation chip

NASA Astrophysics Data System (ADS)

Alam, Manjurul; Golozar, Matin; Darabi, Jeff

2018-04-01

A Lagrangian particle trajectory model is developed to predict the interaction between cell-bead particle complexes and to track their trajectories in a magnetophoretic bio-separation chip. Magnetic flux gradients are simulated in the OpenFOAM CFD software and imported into MATLAB to obtain the trapping lengths and trajectories of the particles. A connector vector is introduced to calculate the interaction force between cell-bead complexes as they flow through a microfluidic device. The interaction force calculations are performed for cases where the connector vector is parallel, perpendicular, and at an angle of 45° with the applied magnetic field. The trajectories of the particles are simulated by solving a system of eight ordinary differential equations using a fourth order Runge-Kutta method. The model is then used to study the effects of geometric positions and angles of the connector vector between the particles as well as the cell size, number of beads per cell, and flow rate on the interaction force and trajectories of the particles. The results show that the interaction forces may be attractive or repulsive, depending on the orientation of the connector vector distance between the particle complexes and the applied magnetic field. When the interaction force is attractive, the particles are observed to merge and trap sooner than a single particle, whereas a repulsive interaction force has little or no effect on the trapping length.

Analysis of solid particles falling down and interacting in a channel with sedimentation using fictitious boundary method

NASA Astrophysics Data System (ADS)

Usman, K.; Walayat, K.; Mahmood, R.; Kousar, N.

2018-06-01

We have examined the behavior of solid particles in particulate flows. The interaction of particles with each other and with the fluid is analyzed. Solid particles can move freely through a fixed computational mesh using an Eulerian approach. Fictitious boundary method (FBM) is used for treating the interaction between particles and the fluid. Hydrodynamic forces acting on the particle's surface are calculated using an explicit volume integral approach. A collision model proposed by Glowinski, Singh, Joseph and coauthors is used to handle particle-wall and particle-particle interactions. The particulate flow is computed using multigrid finite element solver FEATFLOW. Numerical experiments are performed considering two particles falling and colliding and sedimentation of many particles while interacting with each other. Results for these experiments are presented and compared with the reference values. Effects of the particle-particle interaction on the motion of the particles and on the physical behavior of the fluid-particle system has been analyzed.

Facile fabrication of BiVO4 nanofilms with controlled pore size and their photoelectrochemical performances

NASA Astrophysics Data System (ADS)

Feng, Chenchen; Jiao, Zhengbo; Li, Shaopeng; Zhang, Yan; Bi, Yingpu

2015-12-01

We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures.We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO4 photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr06584d

Analysis of variance to assess statistical significance of Laplacian estimation accuracy improvement due to novel variable inter-ring distances concentric ring electrodes.

PubMed

Makeyev, Oleksandr; Joe, Cody; Lee, Colin; Besio, Walter G

2017-07-01

Concentric ring electrodes have shown promise in non-invasive electrophysiological measurement demonstrating their superiority to conventional disc electrodes, in particular, in accuracy of Laplacian estimation. Recently, we have proposed novel variable inter-ring distances concentric ring electrodes. Analytic and finite element method modeling results for linearly increasing distances electrode configurations suggested they may decrease the truncation error resulting in more accurate Laplacian estimates compared to currently used constant inter-ring distances configurations. This study assesses statistical significance of Laplacian estimation accuracy improvement due to novel variable inter-ring distances concentric ring electrodes. Full factorial design of analysis of variance was used with one categorical and two numerical factors: the inter-ring distances, the electrode diameter, and the number of concentric rings in the electrode. The response variables were the Relative Error and the Maximum Error of Laplacian estimation computed using a finite element method model for each of the combinations of levels of three factors. Effects of the main factors and their interactions on Relative Error and Maximum Error were assessed and the obtained results suggest that all three factors have statistically significant effects in the model confirming the potential of using inter-ring distances as a means of improving accuracy of Laplacian estimation.

Molecular and ionic diffusion in aqueous - deep eutectic solvent mixtures: probing inter-molecular interactions using PFG NMR.

PubMed

D'Agostino, Carmine; Gladden, Lynn F; Mantle, Mick D; Abbott, Andrew P; Ahmed, Essa I; Al-Murshedi, Azhar Y M; Harris, Robert C

2015-06-21

Pulsed field gradient (PFG) NMR has been used to probe self-diffusion of molecular and ionic species in aqueous mixtures of choline chloride (ChCl) based deep eutectic solvents (DESs), in order to elucidate the effect of water on motion and inter-molecular interactions between the different species in the mixtures, namely the Ch(+) cation and hydrogen bond donor (HBD). The results reveal an interesting and complex behaviour of such mixtures at a molecular level. In general, it is observed that the hydroxyl protons ((1)H) of Ch(+) and the hydrogen bond donor have diffusion coefficients significantly different from those measured for their parent molecules when water is added. This indicates a clear and significant change in inter-molecular interactions. In aqueous Ethaline, the hydroxyl species of Ch(+) and HBD show a stronger interaction with water as water is added to the system. In the case of Glyceline, water has little effect on both hydroxyl proton diffusion of Ch(+) and HBD. In Reline, it is likely that water allows the formation of small amounts of ammonium hydroxide. The most surprising observation is from the self-diffusion of water, which is considerably higher that expected from a homogeneous liquid. This leads to the conclusion that Reline and Glyceline form mixtures that are inhomogeneous at a microscopic level despite the hydrophilicity of the salt and HBD. This work shows that PFG NMR is a powerful tool to elucidate both molecular dynamics and inter-molecular interactions in complex liquid mixtures, such as the aqueous DES mixtures.

Inter-molecular β-sheet structure facilitates lung-targeting siRNA delivery

NASA Astrophysics Data System (ADS)

Zhou, Jihan; Li, Dong; Wen, Hao; Zheng, Shuquan; Su, Cuicui; Yi, Fan; Wang, Jue; Liang, Zicai; Tang, Tao; Zhou, Demin; Zhang, Li-He; Liang, Dehai; Du, Quan

2016-03-01

Size-dependent passive targeting based on the characteristics of tissues is a basic mechanism of drug delivery. While the nanometer-sized particles are efficiently captured by the liver and spleen, the micron-sized particles are most likely entrapped within the lung owing to its unique capillary structure and physiological features. To exploit this property in lung-targeting siRNA delivery, we designed and studied a multi-domain peptide named K-β, which was able to form inter-molecular β-sheet structures. Results showed that K-β peptides and siRNAs formed stable complex particles of 60 nm when mixed together. A critical property of such particles was that, after being intravenously injected into mice, they further associated into loose and micron-sized aggregates, and thus effectively entrapped within the capillaries of the lung, leading to a passive accumulation and gene-silencing. The large size aggregates can dissociate or break down by the shear stress generated by blood flow, alleviating the pulmonary embolism. Besides the lung, siRNA enrichment and targeted gene silencing were also observed in the liver. This drug delivery strategy, together with the low toxicity, biodegradability, and programmability of peptide carriers, show great potentials in vivo applications.

Translucent Radiosity: Efficiently Combining Diffuse Inter-Reflection and Subsurface Scattering.

PubMed

Sheng, Yu; Shi, Yulong; Wang, Lili; Narasimhan, Srinivasa G

2014-07-01

It is hard to efficiently model the light transport in scenes with translucent objects for interactive applications. The inter-reflection between objects and their environments and the subsurface scattering through the materials intertwine to produce visual effects like color bleeding, light glows, and soft shading. Monte-Carlo based approaches have demonstrated impressive results but are computationally expensive, and faster approaches model either only inter-reflection or only subsurface scattering. In this paper, we present a simple analytic model that combines diffuse inter-reflection and isotropic subsurface scattering. Our approach extends the classical work in radiosity by including a subsurface scattering matrix that operates in conjunction with the traditional form factor matrix. This subsurface scattering matrix can be constructed using analytic, measurement-based or simulation-based models and can capture both homogeneous and heterogeneous translucencies. Using a fast iterative solution to radiosity, we demonstrate scene relighting and dynamically varying object translucencies at near interactive rates.

Evaluating Combinations of Ranked Lists and Visualizations of Inter-Document Similarity.

ERIC Educational Resources Information Center

Allan, James; Leuski, Anton; Swan, Russell; Byrd, Donald

2001-01-01

Considers how ideas from document clustering can be used to improve retrieval accuracy of ranked lists in interactive systems and how to evaluate system effectiveness. Describes a TREC (Text Retrieval Conference) study that constructed and evaluated systems that present the user with ranked lists and a visualization of inter-document similarities.…

Ratchet Effects in Active Matter Systems

NASA Astrophysics Data System (ADS)

Reichhardt, C. J. Olson; Reichhardt, C.

2017-03-01

Ratchet effects can arise for single or collectively interacting Brownian particles on an asymmetric substrate when a net dc transport is produced by an externally applied ac driving force or by periodically flashing the substrate. Recently, a new class of active ratchet systems that do not require the application of external driving has been realized through the use of active matter; they are self-propelled units that can be biological or nonbiological in nature. When active materials such as swimming bacteria interact with an asymmetric substrate, a net dc directed motion can arise even without external driving, opening a wealth of possibilities such as sorting, cargo transport, or micromachine construction. We review the current status of active matter ratchets for swimming bacteria, cells, active colloids, and swarming models, focusing on the role of particle-substrate interactions. We describe ratchet reversals produced by collective effects and the use of active ratchets to transport passive particles. We discuss future directions including deformable substrates or particles, the role of different swimming modes, varied particle-particle interactions, and nondissipative effects.

Discreteness effects in a reacting system of particles with finite interaction radius.

PubMed

Berti, S; López, C; Vergni, D; Vulpiani, A

2007-09-01

An autocatalytic reacting system with particles interacting at a finite distance is studied. We investigate the effects of the discrete-particle character of the model on properties like reaction rate, quenching phenomenon, and front propagation, focusing on differences with respect to the continuous case. We introduce a renormalized reaction rate depending both on the interaction radius and the particle density, and we relate it to macroscopic observables (e.g., front speed and front thickness) of the system.

Relationship between the cohesion of guest particles on the flow behaviour of interactive mixtures.

PubMed

Mangal, Sharad; Gengenbach, Thomas; Millington-Smith, Doug; Armstrong, Brian; Morton, David A V; Larson, Ian

2016-05-01

In this study, we aimed to investigate the effects cohesion of small surface-engineered guest binder particles on the flow behaviour of interactive mixtures. Polyvinylpyrrolidone (PVP) - a model pharmaceutical binder - was spray-dried with varying l-leucine feed concentrations to create small surface-engineered binder particles with varying cohesion. These spray-dried formulations were characterised by their particle size distribution, morphology and cohesion. Interactive mixtures were produced by blending these spray-dried formulations with paracetamol. The resultant blends were visualised under scanning electron microscope to confirm formation of interactive mixtures. Surface coverage of paracetamol by guest particles as well as the flow behaviour of these mixtures were examined. The flow performance of interactive mixtures was evaluated using measurements of conditioned bulk density, basic flowability energy, aeration energy and compressibility. With higher feed l-leucine concentrations, the surface roughness of small binder particles increased, while their cohesion decreased. Visual inspection of the SEM images of the blends indicated that the guest particles adhered to the surface of paracetamol resulting in effective formation of interactive mixtures. These images also showed that the low-cohesion guest particles were better de-agglomerated that consequently formed a more homogeneous interactive mixture with paracetamol compared with high-cohesion formulations. The flow performance of interactive mixtures changed as a function of the cohesion of the guest particles. Interactive mixtures with low-cohesion guest binder particles showed notably improved bulk flow performance compared with those containing high-cohesion guest binder particles. Thus, our study suggests that the cohesion of guest particles dictates the flow performance of interactive mixtures. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

A new methodical approach in neuroscience: assessing inter-personal brain coupling using functional near-infrared imaging (fNIRI) hyperscanning.

PubMed

Scholkmann, Felix; Holper, Lisa; Wolf, Ursula; Wolf, Martin

2013-11-27

Since the first demonstration of how to simultaneously measure brain activity using functional magnetic resonance imaging (fMRI) on two subjects about 10 years ago, a new paradigm in neuroscience is emerging: measuring brain activity from two or more people simultaneously, termed "hyperscanning". The hyperscanning approach has the potential to reveal inter-personal brain mechanisms underlying interaction-mediated brain-to-brain coupling. These mechanisms are engaged during real social interactions, and cannot be captured using single-subject recordings. In particular, functional near-infrared imaging (fNIRI) hyperscanning is a promising new method, offering a cost-effective, easy to apply and reliable technology to measure inter-personal interactions in a natural context. In this short review we report on fNIRI hyperscanning studies published so far and summarize opportunities and challenges for future studies.

Systematic investigation of the SERS efficiency and SERS hotspots in gas-phase deposited Ag nanoparticle assemblies.

PubMed

He, L B; Wang, Y L; Xie, X; Han, M; Song, F Q; Wang, B J; Cheng, W L; Xu, H X; Sun, L T

2017-02-15

Gas-phase deposited Ag nanoparticle assemblies are one of the most commonly used plasmonic substrates benefiting from their remarkable advantages such as clean particle surface, tunable particle density, available inter-particle gaps, low-cost and scalable fabrication, and excellent industry compatibility. However, their performance efficiencies are difficult to optimize due to the lack of knowledge of the hotspots inside their structures. We here report a design of delicate rainbow-like Ag nanoparticle assemblies, based on which the hotspots can be revealed through a combinatorial approach. The findings show that the hotspots in gas-phase deposited Ag nanoparticle assemblies are uniquely entangled by the excitation energy and specific inter-particle gaps, differing from the matching conditions in periodic arrays. For Ag nanoparticle assemblies deposited on Formvar-filmed substrates, the mean particle size is maintained around 10 nm, while the particle density can be widely tuned. The one possessing the highest SERS efficiency (under 473 nm excitation) have a particle number density of around 7100 μm -2 . Gaps with an inter-particle spacing of around 3 nm are found to serve as SERS hotspots, and these hotspots contribute to 68% of the overall SERS intensity. For Ag nanoparticle assemblies fabricated on carbon-filmed substrates, the mean particle size can be feasibly tuned. The one possessing the highest SERS efficiency under 473 nm excitation has a particle number density of around 460 μm -2 and a mean particle size of around 42.1 nm. The construction of Ag-analyte-Ag sandwich-like nanoparticle assemblies by a two-step-deposition method slightly improves the SERS efficiency when the particle number density is low, but suppresses the SERS efficiency when the particle number density is high.

Inter-ring rotations of AAA ATPase p97 revealed by electron cryomicroscopy

PubMed Central

Yeung, Heidi O.; Förster, Andreas; Bebeacua, Cecilia; Niwa, Hajime; Ewens, Caroline; McKeown, Ciarán; Zhang, Xiaodong; Freemont, Paul S.

2014-01-01

The type II AAA+ protein p97 is involved in numerous cellular activities, including endoplasmic reticulum-associated degradation, transcription activation, membrane fusion and cell-cycle control. These activities are at least in part regulated by the ubiquitin system, in which p97 is thought to target ubiquitylated protein substrates within macromolecular complexes and assist in their extraction or disassembly. Although ATPase activity is essential for p97 function, little is known about how ATP binding or hydrolysis is coupled with p97 conformational changes and substrate remodelling. Here, we have used single-particle electron cryomicroscopy (cryo-EM) to study the effect of nucleotides on p97 conformation. We have identified conformational heterogeneity within the cryo-EM datasets from which we have resolved two major p97 conformations. A comparison of conformations reveals inter-ring rotations upon nucleotide binding and hydrolysis that may be linked to the remodelling of target protein complexes. PMID:24598262

About improving efficiency of the P3 M algorithms when computing the inter-particle forces in beam dynamics

NASA Astrophysics Data System (ADS)

Kozynchenko, Alexander I.; Kozynchenko, Sergey A.

2017-03-01

In the paper, a problem of improving efficiency of the particle-particle- particle-mesh (P3M) algorithm in computing the inter-particle electrostatic forces is considered. The particle-mesh (PM) part of the algorithm is modified in such a way that the space field equation is solved by the direct method of summation of potentials over the ensemble of particles lying not too close to a reference particle. For this purpose, a specific matrix "pattern" is introduced to describe the spatial field distribution of a single point charge, so the "pattern" contains pre-calculated potential values. This approach allows to reduce a set of arithmetic operations performed at the innermost of nested loops down to an addition and assignment operators and, therefore, to decrease the running time substantially. The simulation model developed in C++ substantiates this view, showing the descent accuracy acceptable in particle beam calculations together with the improved speed performance.

Analysis of Gas-Particle Flows through Multi-Scale Simulations

NASA Astrophysics Data System (ADS)

Gu, Yile

Multi-scale structures are inherent in gas-solid flows, which render the modeling efforts challenging. On one hand, detailed simulations where the fine structures are resolved and particle properties can be directly specified can account for complex flow behaviors, but they are too computationally expensive to apply for larger systems. On the other hand, coarse-grained simulations demand much less computations but they necessitate constitutive models which are often not readily available for given particle properties. The present study focuses on addressing this issue, as it seeks to provide a general framework through which one can obtain the required constitutive models from detailed simulations. To demonstrate the viability of this general framework in which closures can be proposed for different particle properties, we focus on the van der Waals force of interaction between particles. We start with Computational Fluid Dynamics (CFD) - Discrete Element Method (DEM) simulations where the fine structures are resolved and van der Waals force between particles can be directly specified, and obtain closures for stress and drag that are required for coarse-grained simulations. Specifically, we develop a new cohesion model that appropriately accounts for van der Waals force between particles to be used for CFD-DEM simulations. We then validate this cohesion model and the CFD-DEM approach by showing that it can qualitatively capture experimental results where the addition of small particles to gas fluidization reduces bubble sizes. Based on the DEM and CFD-DEM simulation results, we propose stress models that account for the van der Waals force between particles. Finally, we apply machine learning, specifically neural networks, to obtain a drag model that captures the effects from fine structures and inter-particle cohesion. We show that this novel approach using neural networks, which can be readily applied for other closures other than drag here, can take advantage of the large amount of data generated from simulations, and therefore offer superior modeling performance over traditional approaches.

Continuum models of cohesive stochastic swarms: The effect of motility on aggregation patterns

NASA Astrophysics Data System (ADS)

Hughes, Barry D.; Fellner, Klemens

2013-10-01

Mathematical models of swarms of moving agents with non-local interactions have many applications and have been the subject of considerable recent interest. For modest numbers of agents, cellular automata or related algorithms can be used to study such systems, but in the present work, instead of considering discrete agents, we discuss a class of one-dimensional continuum models, in which the agents possess a density ρ(x,t) at location x at time t. The agents are subject to a stochastic motility mechanism and to a global cohesive inter-agent force. The motility mechanisms covered include classical diffusion, nonlinear diffusion (which may be used to model, in a phenomenological way, volume exclusion or other short-range local interactions), and a family of linear redistribution operators related to fractional diffusion equations. A variety of exact analytic results are discussed, including equilibrium solutions and criteria for unimodality of equilibrium distributions, full time-dependent solutions, and transitions between asymptotic collapse and asymptotic escape. We address the behaviour of the system for diffusive motility in the low-diffusivity limit for both smooth and singular interaction potentials and show how this elucidates puzzling behaviour in fully deterministic non-local particle interaction models. We conclude with speculative remarks about extensions and applications of the models.

Tunable particles alter macrophage uptake based on combinatorial effects of physical properties

PubMed Central

Garapaty, Anusha

2017-01-01

Abstract The ability to tune phagocytosis of particle‐based therapeutics by macrophages can enhance their delivery to macrophages or reduce their phagocytic susceptibility for delivery to non‐phagocytic cells. Since phagocytosis is affected by the physical and chemical properties of particles, it is crucial to identify any interplay between physical properties of particles in altering phagocytic interactions. The combinatorial effect of physical properties size, shape and stiffness was investigated on Fc receptor mediated macrophage interactions by fabrication of layer‐by‐layer tunable particles of constant surface chemistry. Our results highlight how changing particle stiffness affects phagocytic interaction intricately when combined with varying size or shape. Increase in size plays a dominant role over reduction in stiffness in reducing internalization by macrophages for spherical particles. Internalization of rod‐shaped, but not spherical particles, was highly dependent on stiffness. These particles demonstrate the interplay between size, shape and stiffness in interactions of Fc‐functionalized particles with macrophages during phagocytosis. PMID:29313025

The effects of arbuscular mycorrhizal fungi and root interaction on the competition between Trifolium repens and Lolium perenne.

PubMed

Ren, Haiyan; Gao, Tao; Hu, Jian; Yang, Gaowen

2017-01-01

Understanding the factors that alter competitive interactions and coexistence between plants is a key issue in ecological research. A pot experiment was conducted to test the effects of root interaction and arbuscular mycorrhizal fungi (AMF) inoculation on the interspecies competition between Trifolium repens and Lolium perenne under different proportions of mixed sowing by the combination treatment of two levels of AMF inoculation (inoculation and non-inoculation) and two levels of root interaction (root interaction and non-root interaction). Overall, the aboveground and belowground biomass of T. repens and L. perenne were not altered by AMF inoculation across planting ratios, probably because the fertile soil reduced the positive effect of AMF on plant growth. Both inter- and intraspecies root interaction significantly decreased the aboveground biomass of T. repens , but tended to increase the aboveground biomass of L. perenne across planting ratios, and thus peaked at the 4:4 polyculture. These results showed that T. repens competed poorly with L. perenne because of inter and intraspecies root interaction. Our results indicate that interspecies root interaction regulates the competitive ability of grass L. perenne and legume T. repens in mixtures and further makes great contribution for overyielding. Furthermore, AMF may not be involved in plant-plant interaction in fertile condition.

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

DOE PAGES

Song, Lingshuang; Yang, Lin; Meng, Jie; ...

2016-12-29

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental–Computational Study

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

Song, Lingshuang; Yang, Lin; Meng, Jie

Here, we present a joint experimental-computational study to quantitatively describe the thermodynamics of hydrophobic leucine amino acids in aqueous solution. X-ray scattering data were acquired at a series of solute and salt concentrations to effectively measure inter-leucine interactions, indicating that a major scattering peak is observed consistently at q = 0.83 Å -1. Atomistic molecular dynamics simulations were then performed and compared with the scattering data, achieving high consistency at both small and wider scattering angles (q = 0$-$1.5 Å -1). This experimental-computational consistence enables a first glimpse of the leucineleucine interacting landscape, where two leucine molecules are aligned mostlymore » in a parallel fashion, as opposed to anti-parallel, but also allows us to derive effective leucine-leucine interactions in solution. Collectively, this combined approach of employing experimental scattering and molecular simulation enables a quantitative characterization on effective inter-molecular interactions of hydrophobic amino acids, critical for protein function and dynamics such as protein folding.« less

Enhancement of Mechanical Properties of Extruded Mg-9Al-1Zn-1MM-0.7CaO-0.3Mn Alloy Through Pre-aging Treatment

NASA Astrophysics Data System (ADS)

Jeong, Seok Hoan; Kim, Yong Joo; Kong, Kyung Ho; Cho, Tae Hee; Kim, Young Kyun; Lim, Hyun Kyu; Kim, Won Tae; Kim, Do Hyang

2018-03-01

The effect of pre-aging treatment before extrusion has been investigated in Mg-9.0Al-1.0Zn-1MM-0.7CaO-0.3Mn alloy. The as-cast microstructure consists of α-Mg dendrite with secondary solidification phase particles, (Mg, Al)2Ca, β-Mg17Al12 and Al11RE3 at the inter-dendritic region. After extrusion, β-Mg17Al12 precipitates are present, but higher density and more homogeneous distribution in pre-aged alloy. In addition, μm-scale banded bulk β-Mg17Al12 particles are generated during extrusion. Al11RE3 particles are broken into small particles, and are aligned along the extrusion direction. (Mg, Al)2Ca particles are only slightly elongated along the extrusion direction, providing stronger particle stimulated nucleation (PSN) effect by severe deformation during extrusion. The mechanical properties can be significantly enhanced by introducing pre-aging treatment, i.e. β-Mg17Al12 precipitates provide grain refining and strengthening effects and (Mg, Al)2Ca particles provide PSN effect.

THE WORKSHOP ON THE SOURCE APPORTIONMENT OF PM HEALTH EFFECTS: INTER-COMPARISON OF RESULTS AND IMPLICATIONS

EPA Science Inventory

While the association between exposure to ambient fine particulate matter mass (PM2.5) and human mortality is well established, the most responsible particle types/sources are not yet certain. In May 2003, the U.S. Environmental Protection Agency's Particulate Matter Centers Prog...

Three-dimensional particle tracking velocimetry algorithm based on tetrahedron vote

NASA Astrophysics Data System (ADS)

Cui, Yutong; Zhang, Yang; Jia, Pan; Wang, Yuan; Huang, Jingcong; Cui, Junlei; Lai, Wing T.

2018-02-01

A particle tracking velocimetry algorithm based on tetrahedron vote, which is named TV-PTV, is proposed to overcome the limited selection problem of effective algorithms for 3D flow visualisation. In this new cluster-matching algorithm, tetrahedrons produced by the Delaunay tessellation are used as the basic units for inter-frame matching, which results in a simple algorithmic structure of only two independent preset parameters. Test results obtained using the synthetic test image data from the Visualisation Society of Japan show that TV-PTV presents accuracy comparable to that of the classical algorithm based on new relaxation method (NRX). Compared with NRX, TV-PTV possesses a smaller number of loops in programming and thus a shorter computing time, especially for large particle displacements and high particle concentration. TV-PTV is confirmed practically effective using an actual 3D wake flow.

On a two-particle bound system on the half-line

NASA Astrophysics Data System (ADS)

Kerner, Joachim; Mühlenbruch, Tobias

2017-10-01

In this paper we provide an extension of the model discussed in [10] describing two singularly interacting particles on the half-line ℝ+. In this model, the particles are interacting only whenever at least one particle is situated at the origin. Stimulated by [11] we then provide a generalisation of this model in order to include additional interactions between the particles leading to a molecular-like state. We give a precise mathematical formulation of the Hamiltonian of the system and perform spectral analysis. In particular, we are interested in the effect of the singular two-particle interactions onto the molecule.

Diffusion of interacting particles in discrete geometries: Equilibrium and dynamical properties

NASA Astrophysics Data System (ADS)

Becker, T.; Nelissen, K.; Cleuren, B.; Partoens, B.; Van den Broeck, C.

2014-11-01

We expand on a recent study of a lattice model of interacting particles [Phys. Rev. Lett. 111, 110601 (2013), 10.1103/PhysRevLett.111.110601]. The adsorption isotherm and equilibrium fluctuations in particle number are discussed as a function of the interaction. Their behavior is similar to that of interacting particles in porous materials. Different expressions for the particle jump rates are derived from transition-state theory. Which expression should be used depends on the strength of the interparticle interactions. Analytical expressions for the self- and transport diffusion are derived when correlations, caused by memory effects in the environment, are neglected. The diffusive behavior is studied numerically with kinetic Monte Carlo (kMC) simulations, which reproduces the diffusion including correlations. The effect of correlations is studied by comparing the analytical expressions with the kMC simulations. It is found that the Maxwell-Stefan diffusion can exceed the self-diffusion. To our knowledge, this is the first time this is observed. The diffusive behavior in one-dimensional and higher-dimensional systems is qualitatively the same, with the effect of correlations decreasing for increasing dimension. The length dependence of both the self- and transport diffusion is studied for one-dimensional systems. For long lengths the self-diffusion shows a 1 /L dependence. Finally, we discuss when agreement with experiments and simulations can be expected. The assumption that particles in different cavities do not interact is expected to hold quantitatively at low and medium particle concentrations if the particles are not strongly interacting.

Surface roughness of Saturn's rings and ring particles inferred from thermal phase curves

NASA Astrophysics Data System (ADS)

Morishima, Ryuji; Turner, Neal; Spilker, Linda

2017-10-01

We analyze thermal phase curves of all the main rings of Saturn (the A, B, C rings, and the Cassini division) measured by both the far-IR and mid-IR detectors of the Cassini Composite InfraRed Spectrometer (CIRS). All the rings show temperature increases toward zero phase angle, known as an opposition effect or thermal beaming. For the C ring and Cassini division, which have low optical depths, intra-particle shadowing is considered the dominant mechanism causing the effect. On the other hand, the phase curves of the optically thick B and A rings steepen significantly with decreasing absolute solar elevation angle from 21° to 14°, suggesting inter-particle shadowing plays an important role in these rings. We employ an analytic roughness model to estimate the degrees of surface roughness of the rings or ring particles. For optically thin rings, an isolated particle covered by spherical segment craters is employed while for the thick rings we approximate a packed particle layer as a slab covered by craters. The particles in the thin rings are found to have generally rough surfaces, except in the middle C ring. Across the C ring, the optical depth correlates with the degree of surface roughness. This may indicate that surface roughness comes mainly from particle clumping, while individual particles have rather smooth surfaces. For the optically thick rings, the surface roughness of the particle layer is found to be moderate. The modeled phase curves of optically thick rings are shallow if the phase angle change is primarily due to change of observer azimuthal angle. On the other hand, the phase curves are steep if the phase angle change is due to change of observer elevation angle, as inter-particle shadows become visible at higher observer elevation. In addition, the area of shadowed facets increases with decreasing solar elevation angle. These combined effects explain the large seasonal change of the phase curve steepness observed for the thick rings. The degrees of surface roughness inferred from the thermal phase curves are generally less than those from the phase curves in visible light. This is probably explained by different roughness scales seen in thermal and visible light or by dilution of thermal phase curve steepnesses due to particle motion.

Quantum temporal probabilities in tunneling systems

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

Anastopoulos, Charis, E-mail: anastop@physics.upatras.gr; Savvidou, Ntina, E-mail: ksavvidou@physics.upatras.gr

We study the temporal aspects of quantum tunneling as manifested in time-of-arrival experiments in which the detected particle tunnels through a potential barrier. In particular, we present a general method for constructing temporal probabilities in tunneling systems that (i) defines ‘classical’ time observables for quantum systems and (ii) applies to relativistic particles interacting through quantum fields. We show that the relevant probabilities are defined in terms of specific correlation functions of the quantum field associated with tunneling particles. We construct a probability distribution with respect to the time of particle detection that contains all information about the temporal aspects ofmore » the tunneling process. In specific cases, this probability distribution leads to the definition of a delay time that, for parity-symmetric potentials, reduces to the phase time of Bohm and Wigner. We apply our results to piecewise constant potentials, by deriving the appropriate junction conditions on the points of discontinuity. For the double square potential, in particular, we demonstrate the existence of (at least) two physically relevant time parameters, the delay time and a decay rate that describes the escape of particles trapped in the inter-barrier region. Finally, we propose a resolution to the paradox of apparent superluminal velocities for tunneling particles. We demonstrate that the idea of faster-than-light speeds in tunneling follows from an inadmissible use of classical reasoning in the description of quantum systems. -- Highlights: •Present a general methodology for deriving temporal probabilities in tunneling systems. •Treatment applies to relativistic particles interacting through quantum fields. •Derive a new expression for tunneling time. •Identify new time parameters relevant to tunneling. •Propose a resolution of the superluminality paradox in tunneling.« less

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: implications for uptake of nanoparticles in animal cells.

PubMed

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Size and shape effects on diffusion and absorption of colloidal particles near a partially absorbing sphere: Implications for uptake of nanoparticles in animal cells

NASA Astrophysics Data System (ADS)

Shi, Wendong; Wang, Jizeng; Fan, Xiaojun; Gao, Huajian

2008-12-01

A mechanics model describing how a cell membrane with diffusive mobile receptors wraps around a ligand-coated cylindrical or spherical particle has been recently developed to model the role of particle size in receptor-mediated endocytosis. The results show that particles in the size range of tens to hundreds of nanometers can enter cells even in the absence of clathrin or caveolin coats. Here we report further progress on modeling the effects of size and shape in diffusion, interaction, and absorption of finite-sized colloidal particles near a partially absorbing sphere. Our analysis indicates that, from the diffusion and interaction point of view, there exists an optimal hydrodynamic size of particles, typically in the nanometer regime, for the maximum rate of particle absorption. Such optimal size arises as a result of balance between the diffusion constant of the particles and the interaction energy between the particles and the absorbing sphere relative to the thermal energy. Particles with a smaller hydrodynamic radius have larger diffusion constant but weaker interaction with the sphere while larger particles have smaller diffusion constant but stronger interaction with the sphere. Since the hydrodynamic radius is also determined by the particle shape, an optimal hydrodynamic radius implies an optimal size as well as an optimal aspect ratio for a nonspherical particle. These results show broad agreement with experimental observations and may have general implications on interaction between nanoparticles and animal cells.

Thermophoretic aggregation of particles in a protoplanetary disc

NASA Astrophysics Data System (ADS)

Smith, Francis J.

2018-04-01

Thermophoresis causes particles to move down a temperature gradient to a cooler region of a neutral gas. An example is the temperature gradient in the gas around a large cold object, such as an aggregate of particles, cooled by radiation in a protoplanetary disc. Particles near this aggregate move down the temperature gradient to the aggregate, equivalent to the particles being attracted to it by an inter-particle thermophoretic force. This force is proportional to the temperature difference between gas and aggregate, to the gas density and to the cross-section of the aggregate. The force can be large. For example, calculations based on the equations of motion of the interacting particles show that it can be large enough in an optically thin environment to increase the rate of aggregation by up to six orders of magnitude when an aggregate radius lies between 0.1 μm and 1 mm. From 1 mm to about 10 cm aggregates drift inwards through the gas too quickly for the thermophoretic attraction to increase aggregation significantly; so they grow slowly, causing an observed accumulation of particles at these sizes. Particles above 10 cm move more quickly, causing aggregation due to collisions, but also causing fragmentation. However, calculations show that fragmenting particles and bouncing particles in inelastic collisions often have low enough relative velocities that thermophoresis brings them together again. This allows particles to grow above 1 m, which is otherwise difficult to explain.

Mesoscale simulations of shock compaction of a granular ceramic: effects of mesostructure and mixed-cell strength treatment

NASA Astrophysics Data System (ADS)

Derrick, J. G.; LaJeunesse, J. W.; Davison, T. M.; Borg, J. P.; Collins, G. S.

2018-04-01

The shock response of granular materials is important in a variety of contexts but the precise dynamics of grains during compaction is poorly understood. Here we use 2D mesoscale numerical simulations of the shock compaction of granular tungsten carbide to investigate the effect of internal structure within the particle bed and ‘stiction’ between grains on the shock response. An increase in the average number of contacts with other particles, per particle, tends to shift the Hugoniot to higher shock velocities, lower particle velocities and lower densities. This shift is sensitive to inter-particle shear resistance. Eulerian shock physics codes approximate friction between, and interlocking of, grains with their treatment of mixed cell strength (stiction) and here we show that this has a significant effect on the shock response. When studying the compaction of particle beds it is not common to quantify the pre-compaction internal structure, yet our results suggest that such differences should be taken into account, either by using identical beds or by averaging results over multiple experiments.

Continuous time random walk with local particle-particle interaction

NASA Astrophysics Data System (ADS)

Xu, Jianping; Jiang, Guancheng

2018-05-01

The continuous time random walk (CTRW) is often applied to the study of particle motion in disordered media. Yet most such applications do not allow for particle-particle (walker-walker) interaction. In this paper, we consider a CTRW with particle-particle interaction; however, for simplicity, we restrain the interaction to be local. The generalized Chapman-Kolmogorov equation is modified by introducing a perturbation function that fluctuates around 1, which models the effect of interaction. Subsequently, a time-fractional nonlinear advection-diffusion equation is derived from this walking system. Under the initial condition of condensed particles at the origin and the free-boundary condition, we numerically solve this equation with both attractive and repulsive particle-particle interactions. Moreover, a Monte Carlo simulation is devised to verify the results of the above numerical work. The equation and the simulation unanimously predict that this walking system converges to the conventional one in the long-time limit. However, for systems where the free-boundary condition and long-time limit are not simultaneously satisfied, this convergence does not hold.

Simple potential model for interaction of dark particles with massive bodies

NASA Astrophysics Data System (ADS)

Takibayev, Nurgali

2018-01-01

A simple model for interaction of dark particles with matter based on resonance behavior in a three-body system is proposed. The model describes resonant amplification of effective interaction between two massive bodies at large distances between them. The phenomenon is explained by catalytic action of dark particles rescattering at a system of two heavy bodies which are understood here as the big stellar objects. Resonant amplification of the effective interaction between the two heavy bodies imitates the increase in their mass while their true gravitational mass remains unchanged. Such increased interaction leads to more pronounced gravitational lensing of bypassing light. It is shown that effective interaction between the heavy bodies is changed at larger distances and can transform into repulsive action.

The Particle Adventure | What is fundamental? | Fundamental

Science.gov Websites

Quiz - What particles are made of The four interactions How does matter interact? The unseen effect structure Rutherford's result Rutherford's analysis How physicists experiment Deflected probe Detecting the Energy-mass conversion Accelerators How to obtain particles to accelerate Accelerating particles

Magneto-elastic modeling of composites containing chain-structured magnetostrictive particles

NASA Astrophysics Data System (ADS)

Yin, H. M.; Sun, L. Z.; Chen, J. S.

2006-05-01

Magneto-elastic behavior is investigated for two-phase composites containing chain-structured magnetostrictive particles under both magnetic and mechanical loading. To derive the local magnetic and elastic fields, three modified Green's functions are derived and explicitly integrated for the infinite domain containing a spherical inclusion with a prescribed magnetization, body force, and eigenstrain. A representative volume element containing a chain of infinite particles is introduced to solve averaged magnetic and elastic fields in the particles and the matrix. Effective magnetostriction of composites is derived by considering the particle's magnetostriction and the magnetic interaction force. It is shown that there exists an optimal choice of the Young's modulus of the matrix and the volume fraction of the particles to achieve the maximum effective magnetostriction. A transversely isotropic effective elasticity is derived at the infinitesimal deformation. Disregarding the interaction term, this model provides the same effective elasticity as Mori-Tanaka's model. Comparisons of model results with the experimental data and other models show the efficacy of the model and suggest that the particle interactions have a considerable effect on the effective magneto-elastic properties of composites even for a low particle volume fraction.

Thermo-mechanical characterization of siliconized E-glass fiber/hematite particles reinforced epoxy resin hybrid composite

NASA Astrophysics Data System (ADS)

V. R., Arun prakash; Rajadurai, A.

2016-10-01

In this present work hybrid polymer (epoxy) matrix composite has been strengthened with surface modified E-glass fiber and iron(III) oxide particles with varying size. The particle sizes of 200 nm and <100 nm has been prepared by high energy ball milling and sol-gel methods respectively. To enhance better dispersion of particles and improve adhesion of fibers and fillers with epoxy matrix surface modification process has been done on both fiber and filler by an amino functional silane 3-Aminopropyltrimethoxysilane (APTMS). Crystalline and functional groups of siliconized iron(III) oxide particles were characterized by XRD and FTIR spectroscopy analysis. Fixed quantity of surface treated 15 vol% E-glass fiber was laid along with 0.5 and 1.0 vol% of iron(III) oxide particles into the matrix to fabricate hybrid composites. The composites were cured by an aliphatic hardener Triethylenetetramine (TETA). Effectiveness of surface modified particles and fibers addition into the resin matrix were revealed by mechanical testing like tensile testing, flexural testing, impact testing, inter laminar shear strength and hardness. Thermal behavior of composites was evaluated by TGA, DSC and thermal conductivity (Lee's disc). The scanning electron microscopy was employed to found shape and size of iron(III) oxide particles adhesion quality of fiber with epoxy matrix. Good dispersion of fillers in matrix was achieved with surface modifier APTMS. Tensile, flexural, impact and inter laminar shear strength of composites was improved by reinforcing surface modified fiber and filler. Thermal stability of epoxy resin was improved when surface modified fiber was reinforced along with hard hematite particles. Thermal conductivity of epoxy increased with increase of hematite content in epoxy matrix.

Drying paint: from micro-scale dynamics to mechanical instabilities

NASA Astrophysics Data System (ADS)

Goehring, Lucas; Li, Joaquim; Kiatkirakajorn, Pree-Cha

2017-04-01

Charged colloidal dispersions make up the basis of a broad range of industrial and commercial products, from paints to coatings and additives in cosmetics. During drying, an initially liquid dispersion of such particles is slowly concentrated into a solid, displaying a range of mechanical instabilities in response to highly variable internal pressures. Here we summarize the current appreciation of this process by pairing an advection-diffusion model of particle motion with a Poisson-Boltzmann cell model of inter-particle interactions, to predict the concentration gradients in a drying colloidal film. We then test these predictions with osmotic compression experiments on colloidal silica, and small-angle X-ray scattering experiments on silica dispersions drying in Hele-Shaw cells. Finally, we use the details of the microscopic physics at play in these dispersions to explore how two macroscopic mechanical instabilities-shear-banding and fracture-can be controlled. This article is part of the themed issue 'Patterning through instabilities in complex media: theory and applications.'

Spray drying formulation of amorphous solid dispersions.

PubMed

Singh, Abhishek; Van den Mooter, Guy

2016-05-01

Spray drying is a well-established manufacturing technique which can be used to formulate amorphous solid dispersions (ASDs) which is an effective strategy to deliver poorly water soluble drugs (PWSDs). However, the inherently complex nature of the spray drying process coupled with specific characteristics of ASDs makes it an interesting area to explore. Numerous diverse factors interact in an inter-dependent manner to determine the final product properties. This review discusses the basic background of ASDs, various formulation and process variables influencing the critical quality attributes (CQAs) of the ASDs and aspects of downstream processing. Also various aspects of spray drying such as instrumentation, thermodynamics, drying kinetics, particle formation process and scale-up challenges are included. Recent advances in the spray-based drying techniques are mentioned along with some future avenues where major research thrust is needed. Copyright © 2015 Elsevier B.V. All rights reserved.

Phenomenology of ultrahigh energy neutrino interactions and fluxes

NASA Astrophysics Data System (ADS)

Hussain, Shahid

There are several models that predict the existence of high and ultrahigh energy (UHE) neutrinos; neutrinos that have amazingly high energies---energies above 10 15 eV. No man-made machines, existing or planned, can produce any particles of this high energies. It is the energies of these neutrinos that make them very interesting for the particle physics and astrophysics community; these neutrinos can be a unique tool to study the unknown regimes of energy, space, and time. Consequently, there is intense experimental activity focused on the detection of these neutrinos; no UHE neutrinos have been detected by these experiments so far. However, most of the UHE neutrino flux models predict that the fluxes of these neutrinos might be too small to be detected by the current detectors. Therefore, more powerful detectors are being built and we are at the beginning of a new and exciting era in neutrino astronomy. The interactions and fluxes of UHE neutrinos both are unknown experimentally. Our focus here is to explore, by numerically calculating observable signals from these neutrinos, different scenarios that can arise by the inter play of UHE neutrino interaction and flux models. Given several AGN and cosmogenic neutrino flux models, we look at two possibilities for neutrino interactions: (i) Neutrinos have standard model weak interactions at ultrahigh energies. (ii) neutrino interactions are enhanced around a TeV mass-scale, as implied by low scale gravity models with extra dimensions. The standard model weak and low scale gravity enhanced neutrino-nucleon interactions of UHE neutrinos both produce observable signals. In standard model, the charged current neutrino-nucleon interactions give muons, taus, and particle showers, and the neutral current interactions give particle showers. In low scale gravity, the micro black hole formation (and its subsequent decay) and the graviton exchange both give particle showers. Muons, taus, and the showers can be detected by the optical Cherenkov radiation they produce; showers can also be detected by the coherent radio Cherenkov signal they produce which is much powerful than their optical Cherenkov signal. We give the formalism for calculating muon, tau, and shower rates for the optical (ICECUBE- like) and the shower rates for the radio (RICE-like) Cherenkov detectors. Our focus is on simulation of the radio signal from neutrino-initiated showers and calculation of the expected neutrino-initiated shower rates for RICE. Finally, given the calculated rates for muons, taus, and showers, we discuss what we can say about the models for UHE neutrino fluxes and interactions.

A hybridized discontinuous Galerkin framework for high-order particle-mesh operator splitting of the incompressible Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Maljaars, Jakob M.; Labeur, Robert Jan; Möller, Matthias

2018-04-01

A generic particle-mesh method using a hybridized discontinuous Galerkin (HDG) framework is presented and validated for the solution of the incompressible Navier-Stokes equations. Building upon particle-in-cell concepts, the method is formulated in terms of an operator splitting technique in which Lagrangian particles are used to discretize an advection operator, and an Eulerian mesh-based HDG method is employed for the constitutive modeling to account for the inter-particle interactions. Key to the method is the variational framework provided by the HDG method. This allows to formulate the projections between the Lagrangian particle space and the Eulerian finite element space in terms of local (i.e. cellwise) ℓ2-projections efficiently. Furthermore, exploiting the HDG framework for solving the constitutive equations results in velocity fields which excellently approach the incompressibility constraint in a local sense. By advecting the particles through these velocity fields, the particle distribution remains uniform over time, obviating the need for additional quality control. The presented methodology allows for a straightforward extension to arbitrary-order spatial accuracy on general meshes. A range of numerical examples shows that optimal convergence rates are obtained in space and, given the particular time stepping strategy, second-order accuracy is obtained in time. The model capabilities are further demonstrated by presenting results for the flow over a backward facing step and for the flow around a cylinder.

Investigation of particle inertial migration in high particle concentration suspension flow by multi-electrodes sensing and Eulerian-Lagrangian simulation in a square microchannel

PubMed Central

Zhao, Tong; Liu, Kai; Takei, Masahiro

2016-01-01

The inertial migration of neutrally buoyant spherical particles in high particle concentration (αpi > 3%) suspension flow in a square microchannel was investigated by means of the multi-electrodes sensing method which broke through the limitation of conventional optical measurement techniques in the high particle concentration suspensions due to interference from the large particle numbers. Based on the measured particle concentrations near the wall and at the corner of the square microchannel, particle cross-sectional migration ratios are calculated to quantitatively estimate the migration degree. As a result, particle migration to four stable equilibrium positions near the centre of each face of the square microchannel is found only in the cases of low initial particle concentration up to 5.0 v/v%, while the migration phenomenon becomes partial as the initial particle concentration achieves 10.0 v/v% and disappears in the cases of the initial particle concentration αpi ≥ 15%. In order to clarify the influential mechanism of particle-particle interaction on particle migration, an Eulerian-Lagrangian numerical model was proposed by employing the Lennard-Jones potential as the inter-particle potential, while the inertial lift coefficient is calculated by a pre-processed semi-analytical simulation. Moreover, based on the experimental and simulation results, a dimensionless number named migration index was proposed to evaluate the influence of the initial particle concentration on the particle migration phenomenon. The migration index less than 0.1 is found to denote obvious particle inertial migration, while a larger migration index denotes the absence of it. This index is helpful for estimation of the maximum initial particle concentration for the design of inertial microfluidic devices. PMID:27158288

Animating Wall-Bounded Turbulent Smoke via Filament-Mesh Particle-Particle Method.

PubMed

Liao, Xiangyun; Si, Weixin; Yuan, Zhiyong; Sun, Hanqiu; Qin, Jing; Wang, Qiong; Heng, Pheng-Ann; Xiangyun Liao; Weixin Si; Zhiyong Yuan; Hanqiu Sun; Jing Qin; Qiong Wang; Pheng-Ann Heng

2018-03-01

Turbulent vortices in smoke flows are crucial for a visually interesting appearance. Unfortunately, it is challenging to efficiently simulate these appealing effects in the framework of vortex filament methods. The vortex filaments in grids scheme allows to efficiently generate turbulent smoke with macroscopic vortical structures, but suffers from the projection-related dissipation, and thus the small-scale vortical structures under grid resolution are hard to capture. In addition, this scheme cannot be applied in wall-bounded turbulent smoke simulation, which requires efficiently handling smoke-obstacle interaction and creating vorticity at the obstacle boundary. To tackle above issues, we propose an effective filament-mesh particle-particle (FMPP) method for fast wall-bounded turbulent smoke simulation with ample details. The Filament-Mesh component approximates the smooth long-range interactions by splatting vortex filaments on grid, solving the Poisson problem with a fast solver, and then interpolating back to smoke particles. The Particle-Particle component introduces smoothed particle hydrodynamics (SPH) turbulence model for particles in the same grid, where interactions between particles cannot be properly captured under grid resolution. Then, we sample the surface of obstacles with boundary particles, allowing the interaction between smoke and obstacle being treated as pressure forces in SPH. Besides, the vortex formation region is defined at the back of obstacles, providing smoke particles flowing by the separation particles with a vorticity force to simulate the subsequent vortex shedding phenomenon. The proposed approach can synthesize the lost small-scale vortical structures and also achieve the smoke-obstacle interaction with vortex shedding at obstacle boundaries in a lightweight manner. The experimental results demonstrate that our FMPP method can achieve more appealing visual effects than vortex filaments in grids scheme by efficiently simulating more vivid thin turbulent features.

Toward lattice fractional vector calculus

NASA Astrophysics Data System (ADS)

Tarasov, Vasily E.

2014-09-01

An analog of fractional vector calculus for physical lattice models is suggested. We use an approach based on the models of three-dimensional lattices with long-range inter-particle interactions. The lattice analogs of fractional partial derivatives are represented by kernels of lattice long-range interactions, where the Fourier series transformations of these kernels have a power-law form with respect to wave vector components. In the continuum limit, these lattice partial derivatives give derivatives of non-integer order with respect to coordinates. In the three-dimensional description of the non-local continuum, the fractional differential operators have the form of fractional partial derivatives of the Riesz type. As examples of the applications of the suggested lattice fractional vector calculus, we give lattice models with long-range interactions for the fractional Maxwell equations of non-local continuous media and for the fractional generalization of the Mindlin and Aifantis continuum models of gradient elasticity.

Photonic polymer-blend structures and method for making

DOEpatents

Barnes, Michael D.

2004-06-29

The present invention comprises the formation of photonic polymer-blend structures having tunable optical and mechanical properties. The photonic polymer-blend structures comprise monomer units of spherical microparticles of a polymer-blend material wherein the spherical microparticles have surfaces partially merged with one another in a robust inter-particle bond having a tunable inter-particle separation or bond length sequentially attached in a desired and programmable architecture. The photonic polymer-blend structures of the present invention can be linked by several hundred individual particles sequentially linked to form complex three-dimensional structures or highly ordered two-dimensional arrays of 3D columns with 2D spacing.

Coupled multipolar interactions in small-particle metallic clusters.

PubMed

Pustovit, Vitaly N; Sotelo, Juan A; Niklasson, Gunnar A

2002-03-01

We propose a new formalism for computing the optical properties of small clusters of particles. It is a generalization of the coupled dipole-dipole particle-interaction model and allows one in principle to take into account all multipolar interactions in the long-wavelength limit. The method is illustrated by computations of the optical properties of N = 6 particle clusters for different multipolar approximations. We examine the effect of separation between particles and compare the optical spectra with the discrete-dipole approximation and the generalized Mie theory.

Oxytocin enhances inter-brain synchrony during social coordination in male adults

PubMed Central

Mu, Yan; Guo, Chunyan

2016-01-01

Recent brain imaging research has revealed oxytocin (OT) effects on an individual's brain activity during social interaction but tells little about whether and how OT modulates the coherence of inter-brain activity related to two individuals' coordination behavior. We developed a new real-time coordination game that required two individuals of a dyad to synchronize with a partner (coordination task) or with a computer (control task) by counting in mind rhythmically. Electroencephalography (EEG) was recorded simultaneously from a dyad to examine OT effects on inter-brain synchrony of neural activity during interpersonal coordination. Experiment 1 found that dyads showed smaller interpersonal time lags of counting and greater inter-brain synchrony of alpha-band neural oscillations during the coordination (vs control) task and these effects were reliably observed in female but not male dyads. Moreover, the increased alpha-band inter-brain synchrony predicted better interpersonal behavioral synchrony across all participants. Experiment 2, using a double blind, placebo-controlled between-subjects design, revealed that intranasal OT vs placebo administration in male dyads improved interpersonal behavioral synchrony in both the coordination and control tasks but specifically enhanced alpha-band inter-brain neural oscillations during the coordination task. Our findings provide first evidence that OT enhances inter-brain synchrony in male adults to facilitate social coordination. PMID:27510498

Interaction-induced effects on Bose-Hubbard parameters

NASA Astrophysics Data System (ADS)

Kremer, Mark; Sachdeva, Rashi; Benseny, Albert; Busch, Thomas

2017-12-01

We study the effects of repulsive on-site interactions on the broadening of the localized Wannier functions used for calculating the parameters to describe ultracold atoms in optical lattices. For this, we replace the common single-particle Wannier functions, which do not contain any information about the interactions, by two-particle Wannier functions obtained from an exact solution which takes the interactions into account. We then use these interaction-dependent basis functions to calculate the Bose-Hubbard model parameters, showing that they are substantially different both at low and high lattice depths from the ones calculated using single-particle Wannier functions. Our results suggest that density effects are not negligible for many parameter ranges and need to be taken into account in metrology experiments.

The Glass Bead Game: experimental sintering of rhyolitic ash reveals complex behaviour of irregular multiphase particles

NASA Astrophysics Data System (ADS)

Pope, Robyn; Tuffen, Hugh; Owen, Jacqueline; James, Mike; Wadsworth, Fabian

2016-04-01

Sintering of magmatic particles profoundly influences the permeability, strength and compaction of fragmented magma in conduits and pyroclastic deposits. It involves initial rounding and agglutination of particles, with formation of inter-particle necks, followed by progressive viscous collapse of pores. The sintering behaviour of ash particles within tuffisite veins, which may mediate shallow outgassing in silicic eruptions, is of particular interest. Experimental studies on homogeneous synthetic glasses[1] have shown sintering rates to be time, temperature and grainsize-dependent, reflecting the influence of melt viscosity and pore-melt interfacial tension. A key objective is to reconstruct the temperature-time path of naturally sintered samples, so here we investigate the sintering of natural, angular ash fragments, to explore whether similar simple relationships emerge for more complex particle morphologies and internal textures. A glass-rich ballistic rhyolite bomb from the Cordón Caulle 2011-2012 eruption was ground and sieved to create various grainsizes of angular ash particles. The bomb contains 70 wt.% SiO2, 0.25 wt.% H2O, and ~30 vol.% crystal phases, as phenocrysts and microlites of plagioclase and pyroxenes. Particles were spread thinly over a sapphire surface in an N2-purged heated stage, and heated to 900, 1000 and 1100 °C, corresponding to melt viscosities of 105.4-107.7 Pa.s. Images were collected every 10-600 s during isothermal sintering over tens of minutes to hours. Quantitative image analysis using ImageJ allowed quantification of evolving particle size and shape (diameter and roundness) and inter-particle neck width. The rate of particle rounding was expected to be highest for smallest particles, and to decrease through time, but unlike synthetic glass bead experiments, no simple trends emerged. When the temporal evolution of particle roundness was tracked, some particles showed an unexpected, systematic increase in rounding rate with time (type A), whereas others showed the expected decrease (type B), or an increase followed by a decrease (type C). The relationship between evolving particle roundness and diameter showed similarly diverse trends, and no distinction could be made between type A, B and C based on initial roundness, size or other characteristic. The development of inter-particle necks was quantified via measurements of the rate of neck width evolution. These rates proved broadly similar for different grain sizes at a given temperature, suggesting that the initial grain size was not the primary controlling factor on neck width growth. Our results highlight both the complexity of sintering in multiphase magmas with irregular particle shapes, and the difficulty of adequately using two-dimensional imagery to characterise evolving three-dimensional morphologies. Future work should employ tomographic techniques to characterise four-dimensional sintering, and analyse large particle populations to overcome the stochastic effects of variable particle texture and morphology. [1] Vasseur J et al. 2013, GRL 40, 5658-5664.

Vision system and three-dimensional modeling techniques for quantification of the morphology of irregular particles

NASA Astrophysics Data System (ADS)

Smith, Lyndon N.; Smith, Melvyn L.

2000-10-01

Particulate materials undergo processing in many industries, and therefore there are significant commercial motivators for attaining improvements in the flow and packing behavior of powders. This can be achieved by modeling the effects of particle size, friction, and most importantly, particle shape or morphology. The method presented here for simulating powders employs a random number generator to construct a model of a random particle by combining a sphere with a number of smaller spheres. The resulting 3D model particle has a nodular type of morphology, which is similar to that exhibited by the atomized powders that are used in the bulk of powder metallurgy (PM) manufacture. The irregularity of the model particles is dependent upon vision system data gathered from microscopic analysis of real powder particles. A methodology is proposed whereby randomly generated model particles of various sized and irregularities can be combined in a random packing simulation. The proposed Monte Carlo technique would allow incorporation of the effects of gravity, wall friction, and inter-particle friction. The improvements in simulation realism that this method is expected to provide would prove useful for controlling powder production, and for predicting die fill behavior during the production of PM parts.

Wave-particle interactions in rotating mirrorsa)

NASA Astrophysics Data System (ADS)

Fetterman, Abraham J.; Fisch, Nathaniel J.

2011-05-01

Wave-particle interactions in E ×B rotating plasmas feature an unusual effect: particles are diffused by waves in both potential energy and kinetic energy. This wave-particle interaction generalizes the alpha channeling effect, in which radio frequency waves are used to remove alpha particles collisionlessly at low energy. In rotating plasmas, the alpha particles may be removed at low energy through the loss cone, and the energy lost may be transferred to the radial electric field. This eliminates the need for electrodes in the mirror throat, which have presented serious technical issues in past rotating plasma devices. A particularly simple way to achieve this effect is to use a high azimuthal mode number perturbation on the magnetic field. Rotation can also be sustained by waves in plasmas without a kinetic energy source. This type of wave has been considered for plasma centrifuges used for isotope separation. Energy may also be transferred from the electric field to particles or waves, which may be useful for ion heating and energy generation.

A multiscale modeling study of particle size effects on the tissue penetration efficacy of drug-delivery nanoparticles.

PubMed

Islam, Mohammad Aminul; Barua, Sutapa; Barua, Dipak

2017-11-25

Particle size is a key parameter for drug-delivery nanoparticle design. It is believed that the size of a nanoparticle may have important effects on its ability to overcome the transport barriers in biological tissues. Nonetheless, such effects remain poorly understood. Using a multiscale model, this work investigates particle size effects on the tissue distribution and penetration efficacy of drug-delivery nanoparticles. We have developed a multiscale spatiotemporal model of nanoparticle transport in biological tissues. The model implements a time-adaptive Brownian Dynamics algorithm that links microscale particle-cell interactions and adhesion dynamics to tissue-scale particle dispersion and penetration. The model accounts for the advection, diffusion, and cellular uptakes of particles. Using the model, we have analyzed how particle size affects the intra-tissue dispersion and penetration of drug delivery nanoparticles. We focused on two published experimental works that investigated particle size effects in in vitro and in vivo tissue conditions. By analyzing experimental data reported in these two studies, we show that particle size effects may appear pronounced in an in vitro cell-free tissue system, such as collagen matrix. In an in vivo tissue system, the effects of particle size could be relatively modest. We provide a detailed analysis on how particle-cell interactions may determine distribution and penetration of nanoparticles in a biological tissue. Our work suggests that the size of a nanoparticle may play a less significant role in its ability to overcome the intra-tissue transport barriers. We show that experiments involving cell-free tissue systems may yield misleading observations of particle size effects due to the absence of advective transport and particle-cell interactions.

Cluster-guided imaging-based CFD analysis of airflow and particle deposition in asthmatic human lungs

NASA Astrophysics Data System (ADS)

Choi, Jiwoong; Leblanc, Lawrence; Choi, Sanghun; Haghighi, Babak; Hoffman, Eric; Lin, Ching-Long

2017-11-01

The goal of this study is to assess inter-subject variability in delivery of orally inhaled drug products to small airways in asthmatic lungs. A recent multiscale imaging-based cluster analysis (MICA) of computed tomography (CT) lung images in an asthmatic cohort identified four clusters with statistically distinct structural and functional phenotypes associating with unique clinical biomarkers. Thus, we aimed to address inter-subject variability via inter-cluster variability. We selected a representative subject from each of the 4 asthma clusters as well as 1 male and 1 female healthy controls, and performed computational fluid and particle simulations on CT-based airway models of these subjects. The results from one severe and one non-severe asthmatic cluster subjects characterized by segmental airway constriction had increased particle deposition efficiency, as compared with the other two cluster subjects (one non-severe and one severe asthmatics) without airway constriction. Constriction-induced jets impinging on distal bifurcations led to excessive particle deposition. The results emphasize the impact of airway constriction on regional particle deposition rather than disease severity, demonstrating the potential of using cluster membership to tailor drug delivery. NIH Grants U01HL114494 and S10-RR022421, and FDA Grant U01FD005837. XSEDE.

Influence of the nanoparticles agglomeration state in the quantum-confinement effects: Experimental evidences

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

Lorite, I., E-mail: lorite@physik.uni-leipzig.de; Division of Superconductivity and Magnetism, Faculty of Physics and Earth Sciences, Linnestrasse 5, D-04103 Leipzig; Romero, J. J.

2015-03-15

The agglomeration state facilitates particle-particle interaction which produces important effects in the phonon confinement effects at the nanoscale. A partial phonon transmission between close nanoparticles yields a lower momentum conservation relaxation than in a single isolated nanoparticle. It means a larger red shift and broadening of the Raman modes than the expected ones for Raman quantum confinement effects. This particle-particle interaction can drive to error when Raman responses are used to estimate the size of the nanoscaled materials. In this work different corrections are suggested to overtake this source of error.

Crystal structures of isomeric 3,5-di-chloro-N-(2,3-di-methyl-phen-yl)benzene-sulfonamide, 3,5-di-chloro-N-(2,6-di-methyl-phen-yl)benzene-sulfonamide and 3,5-di-chloro-N-(3,5-di-methyl-phen-yl)benzene-sulfonamide.

PubMed

Shakuntala, K; Naveen, S; Lokanath, N K; Suchetan, P A

2017-05-01

The crystal structures of three isomeric compounds of formula C 14 H 13 Cl 2 NO 2 S, namely 3,5-di-chloro- N -(2,3-di-methyl-phen-yl)-benzene-sulfonamide (I), 3,5-di-chloro- N -(2,6-di-methyl-phen-yl)benzene-sulfonamide (II) and 3,5-di-chloro- N -(3,5-di-methyl-phen-yl)benzene-sulfonamide (III) are described. The mol-ecules of all the three compounds are U-shaped with the two aromatic rings inclined at 41.3 (6)° in (I), 42.1 (2)° in (II) and 54.4 (3)° in (III). The mol-ecular conformation of (II) is stabilized by intra-molecular C-H⋯O hydrogen bonds and C-H⋯π inter-actions. The crystal structure of (I) features N-H⋯O hydrogen-bonded R 2 2 (8) loops inter-connected via C (7) chains of C-H⋯O inter-actions, forming a three-dimensional architecture. The structure also features π-π inter-actions [ Cg ⋯ Cg = 3.6970 (14) Å]. In (II), N-H⋯O hydrogen-bonded R 2 2 (8) loops are inter-connected via π-π inter-actions [inter-centroid distance = 3.606 (3) Å] to form a one-dimensional architecture running parallel to the a axis. In (III), adjacent C (4) chains of N-H⋯O hydrogen-bonded mol-ecules running parallel to [010] are connected via C-H⋯π inter-actions, forming sheets parallel to the ab plane. Neighbouring sheets are linked via offset π-π inter-actions [inter-centroid distance = 3.8303 (16) Å] to form a three-dimensional architecture.

Particle atlas of World Trade Center dust

USGS Publications Warehouse

Lowers, Heather; Meeker, Gregory P.

2005-01-01

The United States Environmental Protection Agency (EPA) has begun a reassessment of the presence of World Trade Center (WTC) dust in residences, public buildings, and office spaces in New York City, New York. Background dust samples collected from residences, public buildings, and office spaces will be analyzed by multiple laboratories for the presence of WTC dust. Other laboratories are currently studying WTC dust for other purposes, such as health effects studies. To assist in inter-laboratory consistency for identification of WTC dust components, this particle atlas of phases in WTC dust has been compiled.

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

Reichhardt, Cynthia Jane; Reichhardt, Charles

Ratchet effects can arise for single or collectively interacting Brownian particles on an asymmetric substrate when a net dc transport is produced by an externally applied ac driving force or by periodically flashing the substrate. Recently, a new class of active ratchet systems that do not require the application of external driving has been realized through the use of active matter; they are self-propelled units that can be biological or nonbiological in nature. When active materials such as swimming bacteria interact with an asymmetric substrate, a net dc directed motion can arise even without external driving, opening a wealth ofmore » possibilities such as sorting, cargo transport, or micromachine construction. We review the current status of active matter ratchets for swimming bacteria, cells, active colloids, and swarming models, focusing on the role of particle-substrate interactions. Here, we describe ratchet reversals produced by collective effects and the use of active ratchets to transport passive particles. We discuss future directions including deformable substrates or particles, the role of different swimming modes, varied particle–particle interactions, and nondissipative effects.« less

SU-F-T-46: The Effect of Inter-Seed Attenuation and Tissue Composition in Prostate 125I Brachytherapy Dose Calculations

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

Tamura, K; Araki, F; Ohno, T

Purpose: To investigate the difference of dose distributions with/without the effect of inter-seed attenuation and tissue compositions in prostate {sup 125}I brachytherapy dose calculations, using Monte Carlo simulations of Particle and Heavy Ion Transport code System (PHITS). Methods: The dose distributions in {sup 125}I prostate brachytherapy were calculated using PHITS for non-simultaneous and simultaneous alignments of STM1251 sources in water or prostate phantom for six patients. The PHITS input file was created from DICOM-RT file which includes source coordinates and structures for clinical target volume (CTV) and organs at risk (OARs) of urethra and rectum, using in-house Matlab software. Photonmore » and electron cutoff energies were set to 1 keV and 100 MeV, respectively. The dose distributions were calculated with the kerma approximation and the voxel size of 1 × 1 × 1 mm{sup 3}. The number of incident photon was set to be the statistical uncertainty (1σ) of less than 1%. The effect of inter-seed attenuation and prostate tissue compositions was evaluated from dose volume histograms (DVHs) for each structure, by comparing to results of the AAPM TG-43 dose calculation (without the effect of inter-seed attenuation and prostate tissue compositions). Results: The dose reduction due to the inter-seed attenuation by source capsules was approximately 2% for CTV and OARs compared to those of TG-43. In additions, by considering prostate tissue composition, the D{sub 90} and V{sub 100} of CTV reduced by 6% and 1%, respectively. Conclusion: It needs to consider the dose reduction due to the inter-seed attenuation and tissue composition in prostate {sup 125}I brachytherapy dose calculations.« less

InterPred: A pipeline to identify and model protein-protein interactions.

PubMed

Mirabello, Claudio; Wallner, Björn

2017-06-01

Protein-protein interactions (PPI) are crucial for protein function. There exist many techniques to identify PPIs experimentally, but to determine the interactions in molecular detail is still difficult and very time-consuming. The fact that the number of PPIs is vastly larger than the number of individual proteins makes it practically impossible to characterize all interactions experimentally. Computational approaches that can bridge this gap and predict PPIs and model the interactions in molecular detail are greatly needed. Here we present InterPred, a fully automated pipeline that predicts and model PPIs from sequence using structural modeling combined with massive structural comparisons and molecular docking. A key component of the method is the use of a novel random forest classifier that integrate several structural features to distinguish correct from incorrect protein-protein interaction models. We show that InterPred represents a major improvement in protein-protein interaction detection with a performance comparable or better than experimental high-throughput techniques. We also show that our full-atom protein-protein complex modeling pipeline performs better than state of the art protein docking methods on a standard benchmark set. In addition, InterPred was also one of the top predictors in the latest CAPRI37 experiment. InterPred source code can be downloaded from http://wallnerlab.org/InterPred Proteins 2017; 85:1159-1170. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Ratchet Effects in Active Matter Systems

DOE PAGES

Reichhardt, Cynthia Jane; Reichhardt, Charles

2016-12-21

Ratchet effects can arise for single or collectively interacting Brownian particles on an asymmetric substrate when a net dc transport is produced by an externally applied ac driving force or by periodically flashing the substrate. Recently, a new class of active ratchet systems that do not require the application of external driving has been realized through the use of active matter; they are self-propelled units that can be biological or nonbiological in nature. When active materials such as swimming bacteria interact with an asymmetric substrate, a net dc directed motion can arise even without external driving, opening a wealth ofmore » possibilities such as sorting, cargo transport, or micromachine construction. We review the current status of active matter ratchets for swimming bacteria, cells, active colloids, and swarming models, focusing on the role of particle-substrate interactions. Here, we describe ratchet reversals produced by collective effects and the use of active ratchets to transport passive particles. We discuss future directions including deformable substrates or particles, the role of different swimming modes, varied particle–particle interactions, and nondissipative effects.« less

Energy exchange between a laser beam and charged particles using inverse transition radiation and method for its use

DOEpatents

Kimura, Wayne D.; Romea, Richard D.; Steinhauer, Loren C.

1998-01-01

A method and apparatus for exchanging energy between relativistic charged particles and laser radiation using inverse diffraction radiation or inverse transition radiation. The beam of laser light is directed onto a particle beam by means of two optical elements which have apertures or foils through which the particle beam passes. The two apertures or foils are spaced by a predetermined distance of separation and the angle of interaction between the laser beam and the particle beam is set at a specific angle. The separation and angle are a function of the wavelength of the laser light and the relativistic energy of the particle beam. In a diffraction embodiment, the interaction between the laser and particle beams is determined by the diffraction effect due to the apertures in the optical elements. In a transition embodiment, the interaction between the laser and particle beams is determined by the transition effect due to pieces of foil placed in the particle beam path.

Spin filtering effect generated by the inter-subband spin-orbit coupling in the bilayer nanowire with the quantum point contact

PubMed Central

Wójcik, Paweł; Adamowski, Janusz

2017-01-01

The spin filtering effect in the bilayer nanowire with quantum point contact is investigated theoretically. We demonstrate the new mechanism of the spin filtering based on the lateral inter-subband spin-orbit coupling, which for the bilayer nanowires has been reported to be strong. The proposed spin filtering effect is explained as the joint effect of the Landau-Zener intersubband transitions caused by the hybridization of states with opposite spin (due to the lateral Rashba SO interaction) and the confinement of carriers in the quantum point contact region. PMID:28358141

Repelling, binding, and oscillating of two-particle discrete-time quantum walks

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

Wang, Qinghao; Li, Zhi-Jian, E-mail: zjli@sxu.edu.cn

In this paper, we investigate the effects of particle–particle interaction and static force on the propagation of probability distribution in two-particle discrete-time quantum walk, where the interaction and static force are expressed as a collision phase and a linear position-dependent phase, respectively. It is found that the interaction can lead to boson repelling and fermion binding. The static force also induces Bloch oscillation and results in a continuous transition from boson bunching to fermion anti-bunching. The interplays of particle–particle interaction, quantum interference, and Bloch oscillation provide a versatile framework to study and simulate many-particle physics via quantum walks.

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).

Manipulation of particles by weak forces

NASA Technical Reports Server (NTRS)

Adler, M. S.; Savkar, S. D.; Summerhayes, H. R.

1972-01-01

Quantitative relations between various force fields and their effects on the motion of particles of various sizes and physical characteristics were studied. The forces considered were those derived from light, heat, microwaves, electric interactions, magnetic interactions, particulate interactions, and sound. A physical understanding is given of the forces considered as well as formulae which express how the size of the force depends on the physical and electrical properties of the particle. The drift velocity in a viscous fluid is evaluated as a function of initial acceleration and the effects of thermal random motion are considered. A means of selectively sorting or moving particles by choosing a force system and/or environment such that the particle of interest reacts uniquely was developed. The forces considered and a demonstration of how the initial acceleration, drift velocity, and ultimate particle density distribution is affected by particle, input, and environmental parameters are tabulated.

Structure and interactions in biomaterials based on membrane-biopolymer self-assembly

NASA Astrophysics Data System (ADS)

Koltover, Ilya

Physical and chemical properties of artificial pure lipid membranes have been extensively studied during the last two decades and are relatively well understood. However, most real membrane systems of biological and biotechnological importance incorporate macromolecules either embedded into the membranes or absorbed onto their surfaces. We have investigated three classes of self-assembled membrane-biopolymer biomaterials: (i) Structure, interactions and stability of the two-dimensional crystals of the integral membrane protein bacteriorhodopsin (bR). We have conducted a synchrotron x-ray diffraction study of oriented bR multilayers. The important findings were as follows: (1) the protein 2D lattice exhibited diffraction patterns characteristic of a 2D solid with power-law decay of in-plane positional correlations, which allowed to measure the elastic constants of protein crystal; (2) The crystal melting temperature was a function of the multilayer hydration, reflecting the effect of inter-membrane repulsion on the stability of protein lattice; (3) Preparation of nearly perfect (mosaicity < 0.04° ) multilayers of fused bR membranes permitted, for the first time, application of powerful interface-sensitive x-ray scattering techniques to a membrane-protein system. (ii) Interactions between the particles chemically attached or absorbed onto the surfaces of flexible giant phospholipid vesicles. Using video-enhanced light microscopy we have observed a membrane-distortion induced attraction between the particles with the interaction range of the order of particle diameter. Fluid membranes decorated with many particles exhibited: (i) a finite-sized two-dimensional closed packed aggregates and (ii) a one-dimensional ring-like aggregates. (iii) Structure, stability and interactions in the cationic lipid-DNA complexes. Cationic liposomes complexed with DNA are among the most promising synthetic non-viral carriers of DNA vectors currently used in gene therapy applications. We have established that DNA complexes with cationic lipid (DOTAP) and a neutral lipid (DOPC) have a compact multilayer liquid crystalline structure ( L ca ) with DNA intercalated between the lipid bilayers in a periodic 2D smectic phase. Furthermore, a different 2D columnar phase of complexes was found in mixtures with a transfectionen-hancing lipid DOPE. This structure ( HcII ) derived from synchrotron x-ray diffraction consists of DNA coated by cationic lipid monolayers and arranged on a two-dimensional hexagonal lattice. Optical microscopy revealed that the L ca complexes bind stably to anionic vesicles (models of cellular membranes), whereas the more transfectant HcII complexes are unstable, rapidly fusing and releasing DNA upon adhering to anionic vesicles.

Metal-semiconductor phase transition of order arrays of VO2 nanocrystals

NASA Astrophysics Data System (ADS)

Lopez, Rene; Suh, Jae; Feldman, Leonard; Haglund, Richard

2004-03-01

The study of solid-state phase transitions at nanometer length scales provides new insights into the effects of material size on the mechanisms of structural transformations. Such research also opens the door to new applications, either because materials properties are modified as a function of particle size, or because the nanoparticles interact with a surrounding matrix material, or with each other. In this paper, we describe the formation of vanadium dioxide nanoparticles in silicon substrates by pulsed laser deposition of ion beam lithographically selected sites and thermal processing. We observe the collective behavior of 50 nm diameter VO2 oblate nanoparticles, 10 nm high, and ordered in square arrays with arbitrary lattice constant. The metal-semiconductor-transition of the VO2 precipitates shows different features in each lattice spacing substrate. The materials are characterized by electron microscopy, x-ray diffraction, Rutherford backscattering. The features of the phase transition are studied via infrared optical spectroscopy. Of particular interest are the enhanced scattering and the surface plasmon resonance when the particles reach the metallic state. This resonance amplifies the optical contrast in the range of near-infrared optical communication wavelengths and it is altered by the particle-particle coupling as in the case of noble metals. In addition the VO2 nanoparticles exhibit sharp transitions with up to 50 K of hysteresis, one of the largest values ever reported for this transition. The optical properties of the VO2 nanoarrays are correlated with the size of the precipitates and their inter-particle distance. Nonlinear and ultra fast optical measurements have shown that the transition is the fastest known solid-solid transformation. The VO2 nanoparticles show the same bulk property, transforming in times shorter than 150 fs. This makes them remarkable candidates for ultrafast optical and electronic switching applications.

Diverging effects of isotopic fractionation upon molecular diffusion of noble gases in water: mechanistic insights through ab initio molecular dynamics simulations.

PubMed

Pinto de Magalhães, Halua; Brennwald, Matthias S; Kipfer, Rolf

2017-03-22

Atmospheric noble gases are routinely used as natural tracers to analyze gas transfer processes in aquatic systems. Their isotopic ratios can be employed to discriminate between different physical transport mechanisms by comparison to the unfractionated atmospheric isotope composition. In many applications of aquatic systems molecular diffusion was thought to cause a mass dependent fractionation of noble gases and their isotopes according to the square root ratio of their masses. However, recent experiments focusing on isotopic fractionation within a single element challenged this broadly accepted assumption. The determined fractionation factors of Ne, Ar, Kr and Xe isotopes revealed that only Ar follows the prediction of the so-called square root relation, whereas within the Ne, Kr and Xe elements no mass-dependence was found. The reason for this unexpected divergence of Ar is not yet understood. The aim of our computational exercise is to establish the molecular-resolved mechanisms behind molecular diffusion of noble gases in water. We make the hypothesis that weak intermolecular interactions are relevant for the dynamical properties of noble gases dissolved in water. Therefore, we used ab initio molecular dynamics to explicitly account for the electronic degrees of freedom. Depending on the size and polarizability of the hydrophobic particles such as noble gases, their motion in dense and polar liquids like water is subject to different diffusive regimes: the inter-cavity hopping mechanism of small particles (He, Ne) breaks down if a critical particle size achieved. For the case of large particles (Kr, Xe), the motion through the water solvent is governed by mass-independent viscous friction leading to hydrodynamical diffusion. Finally, Ar falls in between the two diffusive regimes, where particle dispersion is propagated at the molecular collision time scale of the surrounding water molecules.

Instrument comparison for Aerosolized Titanium Dioxide

NASA Astrophysics Data System (ADS)

Ranpara, Anand

Recent toxicological studies have shown that the surface area of ultrafine particles (UFP i.e., particles with diameters less than 0.1 micrometer) has a stronger correlation with adverse health effects than does mass of these particles. Ultrafine titanium dioxide (TiO2) particles are widely used in industry, and their use is associated with adverse health outcomes, such as micro vascular dysfunctions and pulmonary damages. The primary aim of this experimental study was to compare a variety of laboratory and industrial hygiene (IH) field study instruments all measuring the same aerosolized TiO2. The study also observed intra-instrument variability between measurements made by two apparently identical devices of the same type of instrument placed side-by-side. The types of instruments studied were (1) DustTrak(TM) DRX, (2) Personal Data RAMs(TM) (PDR), (3) GRIMM, (4) Diffusion charger (DC) and (5) Scanning Mobility Particle Sizer (SMPS). Two devices of each of the four IH field study instrument types were used to measure six levels of mass concentration of fine and ultrafine TiO2 aerosols in controlled chamber tests. Metrics evaluated included real-time mass, active surface area and number/geometric surface area distributions, and off-line gravimetric mass and morphology on filters. DustTrak(TM) DRXs and PDRs were used for mass concentration measurements. DCs were used for active surface area concentration measurements. GRIMMs were used for number concentration measurements. SMPS was used for inter-instrument comparisons of surface area and number concentrations. The results indicated that two apparently identical devices of each DRX and PDR were statistically not different with each other for all the trials of both the sizes of powder (p < 5%). Mean difference between mass concentrations measured by two DustTrak DRX devices was smaller than that measured by two PDR devices. DustTrak DRX measurements were closer to the reference method, gravimetric mass concentration, than the PDRs. Two apparently identical DC devices were statistically different with each other for fine particles but not for UFP. DC devices and SMPS were statistically different with each other for both sizes of particles. Two apparently identical GRIMM devices were statistically different with each other for fine particles. For UFP, results of GRIMM device were statistically different than SMPS but not for fine particles. These observations suggest that inter-device within instrument and inter-instrument agreements depend on particle size and instrument characteristics to measure nanoparticles at different concentration levels.

Spatial organization of the budding yeast genome in the cell nucleus and identification of specific chromatin interactions from multi-chromosome constrained chromatin model.

PubMed

Gürsoy, Gamze; Xu, Yun; Liang, Jie

2017-07-01

Nuclear landmarks and biochemical factors play important roles in the organization of the yeast genome. The interaction pattern of budding yeast as measured from genome-wide 3C studies are largely recapitulated by model polymer genomes subject to landmark constraints. However, the origin of inter-chromosomal interactions, specific roles of individual landmarks, and the roles of biochemical factors in yeast genome organization remain unclear. Here we describe a multi-chromosome constrained self-avoiding chromatin model (mC-SAC) to gain understanding of the budding yeast genome organization. With significantly improved sampling of genome structures, both intra- and inter-chromosomal interaction patterns from genome-wide 3C studies are accurately captured in our model at higher resolution than previous studies. We show that nuclear confinement is a key determinant of the intra-chromosomal interactions, and centromere tethering is responsible for the inter-chromosomal interactions. In addition, important genomic elements such as fragile sites and tRNA genes are found to be clustered spatially, largely due to centromere tethering. We uncovered previously unknown interactions that were not captured by genome-wide 3C studies, which are found to be enriched with tRNA genes, RNAPIII and TFIIS binding. Moreover, we identified specific high-frequency genome-wide 3C interactions that are unaccounted for by polymer effects under landmark constraints. These interactions are enriched with important genes and likely play biological roles.

Nanoparticle Brownian motion and hydrodynamic interactions in the presence of flow fields

PubMed Central

Uma, B.; Swaminathan, T. N.; Radhakrishnan, R.; Eckmann, D. M.; Ayyaswamy, P. S.

2011-01-01

We consider the Brownian motion of a nanoparticle in an incompressible Newtonian fluid medium (quiescent or fully developed Poiseuille flow) with the fluctuating hydrodynamics approach. The formalism considers situations where both the Brownian motion and the hydrodynamic interactions are important. The flow results have been modified to account for compressibility effects. Different nanoparticle sizes and nearly neutrally buoyant particle densities are also considered. Tracked particles are initially located at various distances from the bounding wall to delineate wall effects. The results for thermal equilibrium are validated by comparing the predictions for the temperatures of the particle with those obtained from the equipartition theorem. The nature of the hydrodynamic interactions is verified by comparing the velocity autocorrelation functions and mean square displacements with analytical and experimental results where available. The equipartition theorem for a Brownian particle in Poiseuille flow is verified for a range of low Reynolds numbers. Numerical predictions of wall interactions with the particle in terms of particle diffusivities are consistent with results, where available. PMID:21918592

Targeting Allosteric Control Mechanisms in Heat Shock Protein 70 (Hsp70).

PubMed

Li, Xiaokai; Shao, Hao; Taylor, Isabelle R; Gestwicki, Jason E

2016-01-01

Heat shock protein 70 (Hsp70) is a molecular chaperone that plays critical roles in protein homeostasis. Hsp70's chaperone activity is coordinated by intra-molecular interactions between its two domains, as well as inter-molecular interactions between Hsp70 and its co-chaperones. Each of these contacts represents a potential opportunity for the development of chemical inhibitors. To illustrate this concept, we review three classes of recently identified molecules that bind distinct pockets on Hsp70. Although all three compounds share the ability to interrupt core biochemical functions of Hsp70, they stabilize different conformers. Accordingly, each compound appears to interrupt a specific subset of inter- and intra-molecular interactions. Thus, an accurate definition of an Hsp70 inhibitor may require a particularly detailed understanding of the molecule's binding site and its effects on protein-protein interactions.

Effects of field interactions upon particle creation in Robertson-Walker universes

NASA Technical Reports Server (NTRS)

Birrell, N. D.; Davies, P. C. W.; Ford, L. H.

1980-01-01

Particle creation due to field interactions in an expanding Robertson-Walker universe is investigated. A model in which pseudoscalar mesons and photons are created as a result of their mutual interaction is considered, and the energy density of created particles is calculated in model universes which undergo a bounce at some maximum curvature. The free-field creation of non-conformally coupled scalar particles and of gravitons is calculated in the same space-times. It is found that if the bounce occurs at a sufficiently early time the interacting particle creation will dominate. This result may be traced to the fact that the model interaction chosen introduces a length scale which is much larger than the Planck length.

The InterAct Project: An Examination of the Interaction of Genetic and Lifestyle Factors on the Incidence of Type 2 Diabetes in the EPIC Study

PubMed Central

Langenberg, C; Sharp, S; Forouhi, NG; Franks, P; Schulze, MB; Kerrison, N; Ekelund, U; Barroso, I; Panico, S; Tormo, M; Spranger, J; Griffin, S; van der Schouw, YT; Amiano, P; Ardanaz, E; Arriola, L; Balkau, B; Barricarte, A; Beulens, JWJ; Boeing, H; Bueno-de-Mesquita, HB; Buijsse, BB; Chirlaque Lopez, MD; Clavel-Chapelon, F; Crowe, FL; de Lauzon-Guillan, B; Deloukas, P; Dorronsoro, M; Drogan, DD; Froguel, P; Gonzalez, C; Grioni, S; Groop, L; Groves, C; Hainaut, P; Halkjaer, J; Hallmans, G; Hansen, T; Kaaks, R; Key, TJ; Khaw, K; Koulman, A; Mattiello, A; Navarro, C; Nilsson, P; Norat, T; Overvad, K; Palla, L; Palli, D; Pedersen, O; Peeters, PH; Quirós, JR; Ramachandran, A; Rodriguez-Suarez, L; Rolandsson, O; Romaguera, D; Romieu, I; Sacerdote, C; Sánchez, M; Sandbaek, A; Slimani, N; Sluijs, I; Spijkerman, AMW; Teucher, B; Tjonneland, A; Tumino, R; van der A, DL; Verschuren, WMM; Tuomilehto, J; Feskens, E; McCarthy, M; Riboli, E; Wareham, NJ

2014-01-01

Background Studying gene-lifestyle interaction may help to identify lifestyle factors that modify genetic susceptibility and uncover genetic loci exerting important subgroup effects. Adequately powered studies with prospective, unbiased, standardised assessment of key behavioural factors for gene-lifestyle studies are lacking. Objective To establish a type 2 diabetes case-cohort study designed to investigate how genetic and potentially modifiable lifestyle and behavioral factors, particularly diet and physical activity, interact in their influence on the risk of developing type 2 diabetes. Methods Funded by the Sixth European Framework Programme, InterAct consortium partners ascertained and verified incident cases of type 2 diabetes occurring in European Prospective Investigation into Cancer and Nutrition (EPIC) cohorts between 1991 and 2007 from 8 of the 10 EPIC countries. A pragmatic, high sensitivity approach was used for case ascertainment including multiple sources at each EPIC centre, followed by diagnostic verification. Prentice-weighted Cox regression and random effects meta-analyses were used to investigate differences in diabetes incidence by age and sex. Results A total of 12,403 verified incident cases of type 2 diabetes occurred during 3.99 million person-years of follow-up of 340,234 EPIC participants eligible for InterAct. We defined a centre stratified subcohort of 16,154 individuals for comparative analyses. Individuals with incident diabetes that were randomly selected into the subcohort (n=778) were included as cases in the analyses. All prevalent diabetes cases were excluded from the study. InterAct cases were followed-up for an average of 6.9 years, 49.7% were men. Mean baseline age and age at diagnosis were 55.6 and 62.5 years, mean BMI and waist were 29.4 kg/m2 and 102.7 cm in men, and 30.1 kg/m2 and 92.8 cm in women, respectively. Risk of type 2 diabetes increased linearly with age, with an overall hazard ratio (95% CI) of 1.56 (1.48; 1.64) for a 10 year age difference, adjusted for sex. A male excess in the risk of incident diabetes was consistently observed across all countries, with a pooled hazard ratio of 1.51 (1.39; 1.64), adjusted for age. Conclusions InterAct is a large, well powered, prospective study which will inform our understanding of the interplay between genes and lifestyle factors on the risk of type 2 diabetes development. PMID:21717116

Single and multiple vortex rings in three-dimensional Bose-Einstein condensates: Existence, stability, and dynamics

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

Wang, Wenlong; Bisset, R. N.; Ticknor, Christopher

In the present work, we explore the existence, stability, and dynamics of single- and multiple-vortex-ring states that can arise in Bose-Einstein condensates. Earlier works have illustrated the bifurcation of such states in the vicinity of the linear limit for isotropic or anisotropic three-dimensional harmonic traps. Here, we extend these states to the regime of large chemical potentials, the so-called Thomas-Fermi limit, and explore their properties such as equilibrium radii and inter-ring distance for multi-ring states, as well as their vibrational spectra and possible instabilities. In this limit, both the existence and stability characteristics can be partially traced to a particlemore » picture that considers the rings as individual particles oscillating within the trap and interacting pairwise with one another. In conclusion, we examine some representative instability scenarios of the multi-ring dynamics, including breakup and reconnections, as well as the transient formation of vortex lines.« less

Single and multiple vortex rings in three-dimensional Bose-Einstein condensates: Existence, stability, and dynamics

DOE PAGES

Wang, Wenlong; Bisset, R. N.; Ticknor, Christopher; ...

2017-04-27

In the present work, we explore the existence, stability, and dynamics of single- and multiple-vortex-ring states that can arise in Bose-Einstein condensates. Earlier works have illustrated the bifurcation of such states in the vicinity of the linear limit for isotropic or anisotropic three-dimensional harmonic traps. Here, we extend these states to the regime of large chemical potentials, the so-called Thomas-Fermi limit, and explore their properties such as equilibrium radii and inter-ring distance for multi-ring states, as well as their vibrational spectra and possible instabilities. In this limit, both the existence and stability characteristics can be partially traced to a particlemore » picture that considers the rings as individual particles oscillating within the trap and interacting pairwise with one another. In conclusion, we examine some representative instability scenarios of the multi-ring dynamics, including breakup and reconnections, as well as the transient formation of vortex lines.« less

Variations in optical coherence tomography resolution and uniformity: a multi-system performance comparison

PubMed Central

Fouad, Anthony; Pfefer, T. Joshua; Chen, Chao-Wei; Gong, Wei; Agrawal, Anant; Tomlins, Peter H.; Woolliams, Peter D.; Drezek, Rebekah A.; Chen, Yu

2014-01-01

Point spread function (PSF) phantoms based on unstructured distributions of sub-resolution particles in a transparent matrix have been demonstrated as a useful tool for evaluating resolution and its spatial variation across image volumes in optical coherence tomography (OCT) systems. Measurements based on PSF phantoms have the potential to become a standard test method for consistent, objective and quantitative inter-comparison of OCT system performance. Towards this end, we have evaluated three PSF phantoms and investigated their ability to compare the performance of four OCT systems. The phantoms are based on 260-nm-diameter gold nanoshells, 400-nm-diameter iron oxide particles and 1.5-micron-diameter silica particles. The OCT systems included spectral-domain and swept source systems in free-beam geometries as well as a time-domain system in both free-beam and fiberoptic probe geometries. Results indicated that iron oxide particles and gold nanoshells were most effective for measuring spatial variations in the magnitude and shape of PSFs across the image volume. The intensity of individual particles was also used to evaluate spatial variations in signal intensity uniformity. Significant system-to-system differences in resolution and signal intensity and their spatial variation were readily quantified. The phantoms proved useful for identification and characterization of irregularities such as astigmatism. Our multi-system results provide evidence of the practical utility of PSF-phantom-based test methods for quantitative inter-comparison of OCT system resolution and signal uniformity. PMID:25071949

Interaction between Y chromosome haplogroup O3* and 4-n-octylphenol exposure reduces the susceptibility to spermatogenic impairment in Han Chinese.

PubMed

Hu, Weiyue; Chen, Minjian; Ji, Juan; Qin, Yufeng; Zhang, Feng; Xu, Miaofei; Wu, Wei; Du, Guizhen; Wu, Di; Han, Xiumei; Jin, Li; Xia, Yankai; Lu, Chuncheng; Wang, Xinru

2017-10-01

Certain genetic background (mainly Y chromosome haplogroups, Y-hg) may modify the susceptibility of certain environmental exposure to some diseases. Compared with respective main effects of genetic background or environmental exposure, interactions between them reflect more realistic combined effects on the susceptibility to a disease. To identify the interactions on spermatogenic impairment, we performed Y chromosome haplotyping and measurement of 9 urinary phenols concentrations in 774 infertile males and 520 healthy controls in a Han Chinese population, and likelihood ratio tests were used to examine the interactions between Y-hgs and phenols. Originally, we observed that Y-hg C and Y-hg F * might modify the susceptibility to male infertility with urinary 4-n-octylphenol (4-n-OP) level (P inter = 0.005 and 0.019, respectively). Subsequently, based on our results, two panels were tested to identify the possible protective sub-branches of Y-hg F * to 4-n-OP exposure, and Y-hg O3 * was uncovered to interact with 4-n-OP (P inter = 0.019). In conclusion, while 4-n-OP shows an adverse effect on spermatogenesis, Y-hg O3 * makes individuals more adaptive to such an effect for maintaining basic reproductive capacity. Copyright © 2017 Elsevier Inc. All rights reserved.

SWIFT: SPH With Inter-dependent Fine-grained Tasking

NASA Astrophysics Data System (ADS)

Schaller, Matthieu; Gonnet, Pedro; Chalk, Aidan B. G.; Draper, Peter W.

2018-05-01

SWIFT runs cosmological simulations on peta-scale machines for solving gravity and SPH. It uses the Fast Multipole Method (FMM) to calculate gravitational forces between nearby particles, combining these with long-range forces provided by a mesh that captures both the periodic nature of the calculation and the expansion of the simulated universe. SWIFT currently uses a single fixed but time-variable softening length for all the particles. Many useful external potentials are also available, such as galaxy haloes or stratified boxes that are used in idealised problems. SWIFT implements a standard LCDM cosmology background expansion and solves the equations in a comoving frame; equations of state of dark-energy evolve with scale-factor. The structure of the code allows implementation for modified-gravity solvers or self-interacting dark matter schemes to be implemented. Many hydrodynamics schemes are implemented in SWIFT and the software allows users to add their own.

Shock Interaction with Random Spherical Particle Beds

NASA Astrophysics Data System (ADS)

Neal, Chris; Mehta, Yash; Salari, Kambiz; Jackson, Thomas L.; Balachandar, S. "Bala"; Thakur, Siddharth

2016-11-01

In this talk we present results on fully resolved simulations of shock interaction with randomly distributed bed of particles. Multiple simulations were carried out by varying the number of particles to isolate the effect of volume fraction. Major focus of these simulations was to understand 1) the effect of the shockwave and volume fraction on the forces experienced by the particles, 2) the effect of particles on the shock wave, and 3) fluid mediated particle-particle interactions. Peak drag force for particles at different volume fractions show a downward trend as the depth of the bed increased. This can be attributed to dissipation of energy as the shockwave travels through the bed of particles. One of the fascinating observations from these simulations was the fluctuations in different quantities due to presence of multiple particles and their random distribution. These are large simulations with hundreds of particles resulting in large amount of data. We present statistical analysis of the data and make relevant observations. Average pressure in the computational domain is computed to characterize the strengths of the reflected and transmitted waves. We also present flow field contour plots to support our observations. U.S. Department of Energy, National Nuclear Security Administration, Advanced Simulation and Computing Program, as a Cooperative Agreement under the Predictive Science Academic Alliance Program, under Contract No. DE-NA0002378.

Intra- and Inter-Individual Differences in Adolescent Depressive Mood: the Role of Relationships with Parents and Friends.

PubMed

Zhang, Shiyu; Baams, Laura; van de Bongardt, Daphne; Dubas, Judith Semon

2018-05-01

Utilizing four waves of data from 1126 secondary school Dutch adolescents (Mage = 13.95 at the first wave; 53% boys), the current study examined the interplay between parent-adolescent and friend-adolescent relationship quality (satisfaction and conflict) in relation to adolescents' depressive mood. Using multilevel analyses, the interacting effects of parent/friend relationship quality on depressive mood were tested at both the intra- and inter-individual level. Analyses at the intra-individual level investigated whether individual depressive mood fluctuated along with changes in their social relationships regardless of one's general level of depressive mood; and analyses at the inter-individual level examined whether the average differences in depressive mood between adolescents were associated with different qualities of social relationships. We interpreted the patterns of interactions between parent and friend relationships using four theoretical models: the reinforcement, toxic friends, compensation, and additive model. The results demonstrate the covariation of parent- and friend- relationship quality with adolescents' depressive mood, and highlight that parent and peer effects are not independent from each other-affirming the compensation and additive models at the intra-individual and the reinforcement and additive models at the inter-individual level. The findings highlight the robustness of the protective effects of parent and peer support and the deleterious effects of conflictual relationships for adolescent mental health. The results have implications for both the theoretical and practical design of (preventive) interventions aimed at decreasing adolescents' depressive mood.

Microscopic information processing and communication in crowd dynamics

NASA Astrophysics Data System (ADS)

Henein, Colin Marc; White, Tony

2010-11-01

Due, perhaps, to the historical division of crowd dynamics research into psychological and engineering approaches, microscopic crowd models have tended toward modelling simple interchangeable particles with an emphasis on the simulation of physical factors. Despite the fact that people have complex (non-panic) behaviours in crowd disasters, important human factors in crowd dynamics such as information discovery and processing, changing goals and communication have not yet been well integrated at the microscopic level. We use our Microscopic Human Factors methodology to fuse a microscopic simulation of these human factors with a popular microscopic crowd model. By tightly integrating human factors with the existing model we can study the effects on the physical domain (movement, force and crowd safety) when human behaviour (information processing and communication) is introduced. In a large-room egress scenario with ample exits, information discovery and processing yields a crowd of non-interchangeable individuals who, despite close proximity, have different goals due to their different beliefs. This crowd heterogeneity leads to complex inter-particle interactions such as jamming transitions in open space; at high crowd energies, we found a freezing by heating effect (reminiscent of the disaster at Central Lenin Stadium in 1982) in which a barrier formation of naïve individuals trying to reach blocked exits prevented knowledgeable ones from exiting. Communication, when introduced, reduced this barrier formation, increasing both exit rates and crowd safety.

Light scattering and dynamics of interacting Brownian particles

NASA Technical Reports Server (NTRS)

Tsang, T.; Tang, H. T.

1982-01-01

The relative motions of interacting Brownian particles in liquids may be described as radial diffusion in an effective potential of the mean force. By using a harmonic approximation for the effective potential, the intermediate scattering function may also be evaluated. For polystyrene spheres of 250 A mean radius in aqueous environment at 0.00125 g/cu cm concentration, the results for the calculated mean square displacement are in qualitative agreement with experimental data from photon correlation spectroscopy. Because of the interactions, the functions deviate considerably from the exponential forms for the free particles.

Software-type Wave-Particle Interaction Analyzer on board the Arase satellite

NASA Astrophysics Data System (ADS)

Katoh, Yuto; Kojima, Hirotsugu; Hikishima, Mitsuru; Takashima, Takeshi; Asamura, Kazushi; Miyoshi, Yoshizumi; Kasahara, Yoshiya; Kasahara, Satoshi; Mitani, Takefumi; Higashio, Nana; Matsuoka, Ayako; Ozaki, Mitsunori; Yagitani, Satoshi; Yokota, Shoichiro; Matsuda, Shoya; Kitahara, Masahiro; Shinohara, Iku

2018-01-01

We describe the principles of the Wave-Particle Interaction Analyzer (WPIA) and the implementation of the Software-type WPIA (S-WPIA) on the Arase satellite. The WPIA is a new type of instrument for the direct and quantitative measurement of wave-particle interactions. The S-WPIA is installed on the Arase satellite as a software function running on the mission data processor. The S-WPIA on board the Arase satellite uses an electromagnetic field waveform that is measured by the waveform capture receiver of the plasma wave experiment (PWE), and the velocity vectors of electrons detected by the medium-energy particle experiment-electron analyzer (MEP-e), the high-energy electron experiment (HEP), and the extremely high-energy electron experiment (XEP). The prime objective of the S-WPIA is to measure the energy exchange between whistler-mode chorus emissions and energetic electrons in the inner magnetosphere. It is essential for the S-WPIA to synchronize instruments to a relative time accuracy better than the time period of the plasma wave oscillations. Since the typical frequency of chorus emissions in the inner magnetosphere is a few kHz, a relative time accuracy of better than 10 μs is required in order to measure the relative phase angle between the wave and velocity vectors. In the Arase satellite, a dedicated system has been developed to realize the time resolution required for inter-instrument communication. Here, both the time index distributed over all instruments through the satellite system and an S-WPIA clock signal are used, that are distributed from the PWE to the MEP-e, HEP, and XEP through a direct line, for the synchronization of instruments within a relative time accuracy of a few μs. We also estimate the number of particles required to obtain statistically significant results with the S-WPIA and the expected accumulation time by referring to the specifications of the MEP-e and assuming a count rate for each detector.

Probes for dark matter physics

NASA Astrophysics Data System (ADS)

Khlopov, Maxim Yu.

The existence of cosmological dark matter is in the bedrock of the modern cosmology. The dark matter is assumed to be nonbaryonic and consists of new stable particles. Weakly Interacting Massive Particle (WIMP) miracle appeals to search for neutral stable weakly interacting particles in underground experiments by their nuclear recoil and at colliders by missing energy and momentum, which they carry out. However, the lack of WIMP effects in their direct underground searches and at colliders can appeal to other forms of dark matter candidates. These candidates may be weakly interacting slim particles, superweakly interacting particles, or composite dark matter, in which new particles are bound. Their existence should lead to cosmological effects that can find probes in the astrophysical data. However, if composite dark matter contains stable electrically charged leptons and quarks bound by ordinary Coulomb interaction in elusive dark atoms, these charged constituents of dark atoms can be the subject of direct experimental test at the colliders. The models, predicting stable particles with charge ‑ 2 without stable particles with charges + 1 and ‑ 1 can avoid severe constraints on anomalous isotopes of light elements and provide solution for the puzzles of dark matter searches. In such models, the excessive ‑ 2 charged particles are bound with primordial helium in O-helium atoms, maintaining specific nuclear-interacting form of the dark matter. The successful development of composite dark matter scenarios appeals for experimental search for doubly charged constituents of dark atoms, making experimental search for exotic stable double charged particles experimentum crucis for dark atoms of composite dark matter.

Fate and Transport of Nanoparticles in Porous Media: A Numerical Study

NASA Astrophysics Data System (ADS)

Taghavy, Amir

Understanding the transport characteristics of NPs in natural soil systems is essential to revealing their potential impact on the food chain and groundwater. In addition, many nanotechnology-based remedial measures require effective transport of NPs through soil, which necessitates accurate understanding of their transport and retention behavior. Based upon the conceptual knowledge of environmental behavior of NPs, mathematical models can be developed to represent the coupling of processes that govern the fate of NPs in subsurface, serving as effective tools for risk assessment and/or design of remedial strategies. This work presents an innovative hybrid Eulerian-Lagrangian modeling technique for simulating the simultaneous reactive transport of nanoparticles (NPs) and dissolved constituents in porous media. Governing mechanisms considered in the conceptual model include particle-soil grain, particle-particle, particle-dissolved constituents, and particle- oil/water interface interactions. The main advantage of this technique, compared to conventional Eulerian models, lies in its ability to address non-uniformity in physicochemical particle characteristics. The developed numerical simulator was applied to investigate the fate and transport of NPs in a number of practical problems relevant to the subsurface environment. These problems included: (1) reductive dechlorination of chlorinated solvents by zero-valent iron nanoparticles (nZVI) in dense non-aqueous phase liquid (DNAPL) source zones; (2) reactive transport of dissolving silver nanoparticles (nAg) and the dissolved silver ions; (3) particle-particle interactions and their effects on the particle-soil grain interactions; and (4) influence of particle-oil/water interface interactions on NP transport in porous media.

Calculation of effective atomic number and electron density of essential biomolecules for electron, proton, alpha particle and multi-energetic photon interactions

NASA Astrophysics Data System (ADS)

Kurudirek, Murat; Onaran, Tayfur

2015-07-01

Effective atomic numbers (Zeff) and electron densities (Ne) of some essential biomolecules have been calculated for total electron interaction, total proton interaction and total alpha particle interaction using an interpolation method in the energy region 10 keV-1 GeV. Also, the spectrum weighted Zeff for multi-energetic photons has been calculated using Auto-Zeff program. Biomolecules consist of fatty acids, amino acids, carbohydrates and basic nucleotides of DNA and RNA. Variations of Zeff and Ne with kinetic energy of ionizing charged particles and effective photon energies of heterogeneous sources have been studied for the given materials. Significant variations in Zeff and Ne have been observed through the entire energy region for electron, proton and alpha particle interactions. Non-uniform variation has been observed for protons and alpha particles in low and intermediate energy regions, respectively. The maximum values of Zeff have found to be in higher energies for total electron interaction whereas maximum values have found to be in relatively low energies for total proton and total alpha particle interactions. When it comes to the multi-energetic photon sources, it has to be noted that the highest Zeff values were found at low energy region where photoelectric absorption is the pre-dominant interaction process. The lowest values of Zeff have been shown in biomolecules such as stearic acid, leucine, mannitol and thymine, which have highest H content in their groups. Variation in Ne seems to be more or less the same with the variation in Zeff for the given materials as expected.

Glass transition of charged particles in two-dimensional confinement.

PubMed

Yazdi, Anoosheh; Heinen, Marco; Ivlev, Alexei; Löwen, Hartmut; Sperl, Matthias

2015-05-01

The glass transition of mesoscopic charged particles in two-dimensional confinement is studied by mode-coupling theory. We consider two types of effective interactions between the particles, corresponding to two different models for the distribution of surrounding ions that are integrated out in coarse-grained descriptions. In the first model, a planar monolayer of charged particles is immersed in an unbounded isotropic bath of ions, giving rise to an isotropically screened Debye-Hückel (Yukawa)-type effective interaction. The second, experimentally more relevant system is a monolayer of negatively charged particles that levitate atop a flat horizontal electrode, as frequently encountered in laboratory experiments with complex (dusty) plasmas. A steady plasma current toward the electrode gives rise to an anisotropic effective interaction potential between the particles, with an algebraically long-ranged in-plane decay. In a comprehensive parameter scan that covers the typical range of experimentally accessible plasma conditions, we calculate and compare the mode-coupling predictions for the glass transition in both kinds of systems.

Predator personality and prey behavioural predictability jointly determine foraging performance.

PubMed

Chang, Chia-Chen; Teo, Huey Yee; Norma-Rashid, Y; Li, Daiqin

2017-01-17

Predator-prey interactions play important roles in ecological communities. Personality, consistent inter-individual differences in behaviour, of predators, prey or both are known to influence inter-specific interactions. An individual may also behave differently under the same situation and the level of such variability may differ between individuals. Such intra-individual variability (IIV) or predictability may be a trait on which selection can also act. A few studies have revealed the joint effect of personality types of both predators and prey on predator foraging performance. However, how personality type and IIV of both predators and prey jointly influence predator foraging performance remains untested empirically. Here, we addressed this using a specialized spider-eating jumping spider, Portia labiata (Salticidae), as the predator, and a jumping spider, Cosmophasis umbratica, as the prey. We examined personality types and IIVs of both P. labiata and C. umbratica and used their inter- and intra-individual behavioural variation as predictors of foraging performance (i.e., number of attempts to capture prey). Personality type and predictability had a joint effect on predator foraging performance. Aggressive predators performed better in capturing unpredictable (high IIV) prey than predictable (low IIV) prey, while docile predators demonstrated better performance when encountering predictable prey. This study highlights the importance of the joint effect of both predator and prey personality types and IIVs on predator-prey interactions.

Predator personality and prey behavioural predictability jointly determine foraging performance

PubMed Central

Chang, Chia-chen; Teo, Huey Yee; Norma-Rashid, Y.; Li, Daiqin

2017-01-01

Predator-prey interactions play important roles in ecological communities. Personality, consistent inter-individual differences in behaviour, of predators, prey or both are known to influence inter-specific interactions. An individual may also behave differently under the same situation and the level of such variability may differ between individuals. Such intra-individual variability (IIV) or predictability may be a trait on which selection can also act. A few studies have revealed the joint effect of personality types of both predators and prey on predator foraging performance. However, how personality type and IIV of both predators and prey jointly influence predator foraging performance remains untested empirically. Here, we addressed this using a specialized spider-eating jumping spider, Portia labiata (Salticidae), as the predator, and a jumping spider, Cosmophasis umbratica, as the prey. We examined personality types and IIVs of both P. labiata and C. umbratica and used their inter- and intra-individual behavioural variation as predictors of foraging performance (i.e., number of attempts to capture prey). Personality type and predictability had a joint effect on predator foraging performance. Aggressive predators performed better in capturing unpredictable (high IIV) prey than predictable (low IIV) prey, while docile predators demonstrated better performance when encountering predictable prey. This study highlights the importance of the joint effect of both predator and prey personality types and IIVs on predator-prey interactions. PMID:28094288

Double-pulse femtosecond laser peening of aluminum alloy AA5038: Effect of inter-pulse delay on transient optical plume emission and final surface micro-hardness

NASA Astrophysics Data System (ADS)

Ageev, E. I.; Bychenkov, V. Yu.; Ionin, A. A.; Kudryashov, S. I.; Petrov, A. A.; Samokhvalov, A. A.; Veiko, V. P.

2016-11-01

Double-pulse ablative femtosecond laser peening of the AA5038 aluminum alloy surface in the phase explosion regime results in its enhanced microhardness, which monotonously decreases till the initial value versus inter-pulse delay, increasing on a sub-nanosecond timescale. Optical emission spectroscopy of the double-pulse ablative plume reveals the same trend in the yield of the corresponding atomic and ion emission versus inter-pulse delay, enlightening the interaction of the second femtosecond laser pump pulse with the surface and the resulting plume.

Oxytocin enhances inter-brain synchrony during social coordination in male adults.

PubMed

Mu, Yan; Guo, Chunyan; Han, Shihui

2016-12-01

Recent brain imaging research has revealed oxytocin (OT) effects on an individual's brain activity during social interaction but tells little about whether and how OT modulates the coherence of inter-brain activity related to two individuals' coordination behavior. We developed a new real-time coordination game that required two individuals of a dyad to synchronize with a partner (coordination task) or with a computer (control task) by counting in mind rhythmically. Electroencephalography (EEG) was recorded simultaneously from a dyad to examine OT effects on inter-brain synchrony of neural activity during interpersonal coordination. Experiment 1 found that dyads showed smaller interpersonal time lags of counting and greater inter-brain synchrony of alpha-band neural oscillations during the coordination (vs control) task and these effects were reliably observed in female but not male dyads. Moreover, the increased alpha-band inter-brain synchrony predicted better interpersonal behavioral synchrony across all participants. Experiment 2, using a double blind, placebo-controlled between-subjects design, revealed that intranasal OT vs placebo administration in male dyads improved interpersonal behavioral synchrony in both the coordination and control tasks but specifically enhanced alpha-band inter-brain neural oscillations during the coordination task. Our findings provide first evidence that OT enhances inter-brain synchrony in male adults to facilitate social coordination. © The Author (2016). Published by Oxford University Press. For Permissions, please email: journals.permissions@oup.com.

Effective stochastic generator with site-dependent interactions

NASA Astrophysics Data System (ADS)

Khamehchi, Masoumeh; Jafarpour, Farhad H.

2017-11-01

It is known that the stochastic generators of effective processes associated with the unconditioned dynamics of rare events might consist of non-local interactions; however, it can be shown that there are special cases for which these generators can include local interactions. In this paper, we investigate this possibility by considering systems of classical particles moving on a one-dimensional lattice with open boundaries. The particles might have hard-core interactions similar to the particles in an exclusion process, or there can be many arbitrary particles at a single site in a zero-range process. Assuming that the interactions in the original process are local and site-independent, we will show that under certain constraints on the microscopic reaction rules, the stochastic generator of an unconditioned process can be local but site-dependent. As two examples, the asymmetric zero-temperature Glauber model and the A-model with diffusion are presented and studied under the above-mentioned constraints.

Measurement of surface effects on the rotational diffusion of a colloidal particle.

PubMed

Lobo, Sebastian; Escauriaza, Cristian; Celedon, Alfredo

2011-03-15

A growing number of nanotechnologies involve rotating particles. Because the particles are normally close to a solid surface, hydrodynamic interaction may affect particle rotation. Here, we track probes composed of two particles tethered to a solid surface by a DNA molecule to measure for the first time the effect of a surface on the rotational viscous drag. We use a model that superimposes solutions of the Stokes equation in the presence of a wall to confirm and interpret our measurements. We show that the hydrodynamic interaction between the surface and the probe increases the rotational viscous drag and that the effect strongly depends on the geometry of the probe.

European Scientific Notes. Volume 34, Number 12,

DTIC Science & Technology

1980-12-31

protein and prevention of decompression sickness interactions and on vertebrate neuron by drugs . electrophysiology, evoked responses, and As mentioned...discussion of posters by scheduling theoretical models for the interaction of meetings late in the afternoons following molecular oxygen and related oxygen...appear to be quite difficult, because of the variety of frictional effects and Linkbpin Institute of Technology (LiTH) inter-segmental interactions which

Manipulating the Coffee-Ring Effect: Interactions at Work.

PubMed

Anyfantakis, Manos; Baigl, Damien

2015-07-31

The evaporation of a drop of colloidal suspension pinned on a substrate usually results in a ring of particles accumulated at the periphery of the initial drop. Intense research has been devoted to understanding, suppressing and ultimately controlling this so-called coffee-ring effect (CRE). Although the crucial role of flow patterns in the CRE has been thoroughly investigated, the effect of interactions on this phenomenon has been largely neglected. This Concept paper reviews recent works in this field and shows that the interactions of colloids with (and at) liquid-solid and liquid-gas interfaces as well as bulk particle-particle interactions drastically affect the morphology of the deposit. General rules are established to control the CRE by tuning these interactions, and guidelines for the rational physicochemical formulation of colloidal suspensions capable of depositing particles in desirable patterns are provided. This opens perspectives for the reliable control of the CRE in real-world formulations and creates new paradigms for flexible particle patterning at all kinds of interfaces as well for the exploitation of the CRE as a robust and inexpensive diagnostic tool. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A volume-filtered formulation to capture particle-shock interactions in multiphase compressible flows

NASA Astrophysics Data System (ADS)

Shallcross, Gregory; Capecelatro, Jesse

2017-11-01

Compressible particle-laden flows are common in engineering systems. Applications include but are not limited to water injection in high-speed jet flows for noise suppression, rocket-plume surface interactions during planetary landing, and explosions during coal mining operations. Numerically, it is challenging to capture these interactions due to the wide range of length and time scales. Additionally, there are many forms of the multiphase compressible flow equations with volume fraction effects, some of which are conflicting in nature. The purpose of this presentation is to develop the capability to accurately capture particle-shock interactions in systems with a large number of particles from dense to dilute regimes. A thorough derivation of the volume filtered equations is presented. The volume filtered equations are then implemented in a high-order, energy-stable Eulerian-Lagrangian framework. We show this framework is capable of decoupling the fluid mesh from the particle size, enabling arbitrary particle size distributions in the presence of shocks. The proposed method is then assessed against particle-laden shock tube data. Quantities of interest include fluid-phase pressure profiles and particle spreading rates. The effect of collisions in 2D and 3D are also evaluated.

Quantum-SAR Extension of the Spectral-SAR Algorithm. Application to Polyphenolic Anticancer Bioactivity

PubMed Central

Putz, Mihai V.; Putz, Ana-Maria; Lazea, Marius; Ienciu, Luciana; Chiriac, Adrian

2009-01-01

Aiming to assess the role of individual molecular structures in the molecular mechanism of ligand-receptor interaction correlation analysis, the recent Spectral-SAR approach is employed to introduce the Quantum-SAR (QuaSAR) “wave” and “conversion factor” in terms of difference between inter-endpoint inter-molecular activities for a given set of compounds; this may account for inter-conversion (metabolization) of molecular (concentration) effects while indicating the structural (quantum) based influential/detrimental role on bio-/eco- effect in a causal manner rather than by simple inspection of measured values; the introduced QuaSAR method is then illustrated for a study of the activity of a series of flavonoids on breast cancer resistance protein. PMID:19399244

Generalized Faxén's theorem: Evaluating first-order (hydrodynamic drag) and second-order (acoustic radiation) forces on finite-sized rigid particles, bubbles and droplets in arbitrary complex flows

NASA Astrophysics Data System (ADS)

Annamalai, Subramanian; Balachandar, S.

2016-11-01

In recent times, study of complex disperse multiphase problems involving several million particles (e.g. volcanic eruptions, spray control etc.) is garnering momentum. The objective of this work is to present an accurate model (termed generalized Faxén's theorem) to predict the hydrodynamic forces on such inclusions (particles/bubbles/droplets) without having to solve for the details of flow around them. The model is developed using acoustic theory and the force obtained as a summation of infinite series (monopole, dipole and higher sources). The first-order force is the time-dependent hydrodynamic drag force arising from the dipole component due to interaction between the gas and the inclusion at the microscale level. The second-order force however is a time-averaged differential force (contributions arise both from monopole and dipole), also known as the acoustic radiation force primarily used to levitate particles. In this work, the monopole and dipole strengths are represented in terms of particle surface and volume averages of the incoming flow properties and therefore applicable to particle sizes of the order of fluid length scale and subjected to any arbitrary flow. Moreover, this model can also be used to account for inter-particle coupling due to neighboring particles. U.S. DoE, NNSA, Advanced Simulation and Computing Program, Cooperative Agreement under PSAAP-II, Contract No. DE-NA0002378.

Effects of Pt and ionomer ratios on the structure of catalyst layer: A theoretical model for polymer electrolyte fuel cells

NASA Astrophysics Data System (ADS)

Ishikawa, H.; Sugawara, Y.; Inoue, G.; Kawase, M.

2018-01-01

The 3D structure of the catalyst layer (CL) in the polymer electrolyte fuel cell (PEFC) is modeled with a Pt/carbon (Pt/C) ratio of 0.4-2.3 and ionomer/carbon (i/C) ratio of 0.5-1.5, and the structural properties are evaluated by numerical simulation. The models are constructed by mimicking the actual shapes of Pt particles and carbon aggregates, as well as the ionomer adhesion in real CLs. CLs with different compositions are characterized by structural properties such as Pt inter-particle distance, ionomer coating thickness, pore size distribution, tortuosity, and ionomer coverage on Pt. The results for Pt/C = 1.0, i/C = 1.0 with Pt loading of 0.3 mg cm-2 and 50% porosity are validated against measured data for CLs with the same composition. With increasing i/C ratio, the smaller pores disappear and the number of isolated pores increases; while the ionomer connection and its coverage on Pt are significantly enhanced at i/C ∼1.0. With increasing Pt/C ratio, the Pt inter-particle distance decreases as the particles connect with each other. The tortuosity of the pores and the ionomer exhibits a trade-off relation depending on the ionomer volume. Further CL design concepts to optimize both O2 diffusion and H+ conduction are discussed.

Two-leg ladder systems with dipole–dipole Fermion interactions

NASA Astrophysics Data System (ADS)

Mosadeq, Hamid; Asgari, Reza

2018-05-01

The ground-state phase diagram of a two-leg fermionic dipolar ladder with inter-site interactions is studied using density matrix renormalization group (DMRG) techniques. We use a state-of-the-art implementation of the DMRG algorithm and finite size scaling to simulate large system sizes with high accuracy. We also consider two different model systems and explore stable phases in half and quarter filling factors. We find that in the half filling, the charge and spin gaps emerge in a finite value of the dipole–dipole and on-site interactions. In the quarter filling case, s-wave superconducting state, charge density wave, homogenous insulating and phase separation phases occur depend on the interaction values. Moreover, in the dipole–dipole interaction, the D-Mott phase emerges when the hopping terms along the chain and rung are the same, whereas, this phase has been only proposed for the anisotropic Hubbard model. In the half filling case, on the other hand, there is either charge-density wave or charged Mott order phase depends on the orientation of the dipole moments of the particles with respect to the ladder geometry.

Investigation of energy transfer in terbium doped Y 2SiO5 phosphor particles

NASA Astrophysics Data System (ADS)

Salis, M.; Carbonaro, C. M.; Corpino, R.; Anedda, A.; Ricci, P. C.

2012-07-01

The kinetics of luminescence of sol-gel synthesized terbium doped Y 2SiO5 (YSO) phosphor particles is investigated in detail with reference to Tb concentration in the 0.001%-10% range. By increasing the dopant concentration, the luminescence profile changes from a blue to a green peaked emission spectrum because of the energy transfer among centers. The inter-center energy transfer mechanism is well accounted for by the Inokuti-Hirayama (IH) kinetic model which is based on a statistical average of inter-center distance dependent decay modes of the donor luminescence. The distribution of the decay modes is implemented from the Förster-Dexter resonance theory of energy transfer by assuming a rate constant for the energy transfer by multipolar interactions between donors and acceptors. However, the experimental results recorded in the low concentration limit show the presence of green emission contributions in the luminescence spectrum which cannot be related to the Tb concentration; for this reason an additional internal energy transfer mechanism, occurring among levels of the same center, is proposed to account for the recorded emission properties. Thus, a new and more exhaustive model which includes both the internal and external energy transfer processes is considered; the proposed model allows a better explanation of the spectroscopic features of Tb related centers in YSO crystals and discloses the critical concentration and the quantum yields of the different energy transfer mechanisms.

Binary mixtures of condensates in generic confining potentials

NASA Astrophysics Data System (ADS)

Facchi, P.; Florio, G.; Pascazio, S.; Pepe, F. V.

2011-12-01

We study a binary mixture of Bose-Einstein condensates, confined in a generic potential, in the Thomas-Fermi approximation. We search for the zero-temperature ground state of the system, both in the case of fixed numbers of particles and fixed chemical potentials. For generic potentials, we analyze the transition from mixed to separated ground-state configurations as the inter-species interaction increases. We derive a simple formula that enables one to determine the location of the domain walls. Finally, we find criteria for the energetic stability of separated configurations, depending on the number and the position of the domain walls separating the two species.

Self-assembly of silica nanoparticles by tuning substrate-adsorbate interaction

NASA Astrophysics Data System (ADS)

Utsav, Khanna, Sakshum; Mukhopadhayay, Indrajit; Banerjee, Rupak

2018-05-01

We report on self-assembled nanodisc formations of silica nanoparticles on a surface modified silicon substrate using modified Langmuir-Schafer deposition technique (stamping). The size, inter-particle separation as well as the packing of the silica nanoparticles within the nanodiscs formed spontaneously can be tuned by the surface pressure applied on the water surface. We obtain self-assembled nanodiscs of silica nanoparticle arranged in a hexagonal symmetry. We also observe that by varying the surface pressure of deposition at the water-molecule-air interface we obtain such 2D disc-shaped structure with varying sizes and a packing ratio of the silica nanoparticle.

Effect of Particle Size and Impact Velocity on Collision Behaviors Between Nano-Scale TiN Particles: MD Simulation.

PubMed

Yao, Hai-Long; Hu, Xiao-Zhen; Yang, Guan-Jun

2018-06-01

Inter-particle bonding formation which determines qualities of nano-scale ceramic coatings is influenced by particle collision behaviors during high velocity collision processes. In this study, collision behaviors between nano-scale TiN particles with different diameters were illuminated by using Molecular Dynamics simulation through controlling impact velocities. Results show that nano-scale TiN particles exhibit three states depending on particle sizes and impact velocities, i.e., bonding, bonding with localized fracturing, and rebounding. These TiN particles states are summarized into a parameter selection map providing an overview of the conditions in terms of particle sizes and velocities. Microstructure results show that localized atoms displacement and partial fracture around the impact region are main reasons for bonding formation of nano-scale ceramic particles, which shows differences from conventional particles refining and amorphization. A relationship between the adhesion energy and the rebound energy is established to understand bonding formation mechanism for nano-scale TiN particle collision. Results show that the energy relationship is depended on the particle sizes and impact velocities, and nano-scale ceramic particles can be bonded together as the adhesion energy being higher than the rebound energy.

Inter-hemispheric interaction facilitates face processing.

PubMed

Compton, Rebecca J

2002-01-01

Many recent studies have revealed that interaction between the left and right cerebral hemispheres can aid in task performance, but these studies have tended to examine perception of simple stimuli such as letters, digits or simple shapes, which may have limited naturalistic validity. The present study extends these prior findings to a more naturalistic face perception task. Matching tasks required subjects to indicate when a target face matched one of two probe faces. Matches could be either across-field, requiring inter-hemispheric interaction, or within-field, not requiring inter-hemispheric interaction. Subjects indicated when faces matched in emotional expression (Experiment 1; n=32) or in character identity (Experiment 2; n=32). In both experiments, across-field performance was significantly better than within-field performance, supporting the primary hypothesis. Further, this advantage was greater for the more difficult character identity task. Results offer qualified support for the hypothesis that inter-hemispheric interaction is especially advantageous as task demands increase.

Modelling of plasma-wall interaction and impurity transport in fusion devices and prompt deposition of tungsten as application

NASA Astrophysics Data System (ADS)

Kirschner, A.; Tskhakaya, D.; Brezinsek, S.; Borodin, D.; Romazanov, J.; Ding, R.; Eksaeva, A.; Linsmeier, Ch

2018-01-01

Main processes of plasma-wall interaction and impurity transport in fusion devices and their impact on the availability of the devices are presented and modelling tools, in particular the three-dimensional Monte-Carlo code ERO, are introduced. The capability of ERO is demonstrated on the example of tungsten erosion and deposition modelling. The dependence of tungsten deposition on plasma temperature and density is studied by simulations with a simplified geometry assuming (almost) constant plasma parameters. The amount of deposition increases with increasing electron temperature and density. Up to 100% of eroded tungsten can be promptly deposited near to the location of erosion at very high densities (˜1 × 1014 cm-3 expected e.g. in the divertor of ITER). The effect of the sheath characteristics on tungsten prompt deposition is investigated by using particle-in-cell (PIC) simulations to spatially resolve the plasma parameters inside the sheath. Applying PIC data instead of non-resolved sheath leads in general to smaller tungsten deposition, which is mainly due to a density and temperature decrease towards the surface within the sheath. Two-dimensional tungsten erosion/deposition simulations, assuming symmetry in toroidal direction but poloidally spatially varying plasma parameter profiles, have been carried out for the JET divertor. The simulations reveal, similar to experimental findings, that tungsten gross erosion is dominated in H-mode plasmas by the intra-ELM phases. However, due to deposition, the net tungsten erosion can be similar within intra- and inter-ELM phases if the inter-ELM electron temperature is high enough. Also, the simulated deposition fraction of about 84% in between ELMs is in line with spectroscopic observations from which a lower limit of 50% has been estimated.

Local Interactions of Hydrometeors by Diffusion in Mixed-Phase Clouds

NASA Astrophysics Data System (ADS)

Baumgartner, Manuel; Spichtinger, Peter

2017-04-01

Mixed-phase clouds, containing both ice particles and liquid droplets, are important for the Earth-Atmosphere system. They modulate the radiation budget by a combination of albedo effect and greenhouse effect. In contrast to liquid water clouds, the radiative impact of clouds containing ice particles is still uncertain. Scattering and absorption highly depends in microphysical properties of ice crystals, e.g. size and shape. In addition, most precipitation on Earth forms via the ice phase. Thus, better understanding of ice processes as well as their representation in models is required. A key process for determining shape and size of ice crystals is diffusional growth. Diffusion processes in mixed-phase clouds are highly uncertain; in addition they are usually highly simplified in cloud models, especially in bulk microphysics parameterizations. The direct interaction between cloud droplets and ice particles, due to spatial inhomogeneities, is ignored; the particles can only interact via their environmental conditions. Local effects as supply of supersaturation due to clusters of droplets around ice particles are usually not represented, although they form the physical basis of the Wegener-Bergeron-Findeisen process. We present direct numerical simulations of the interaction of single ice particles and droplets, especially their local competition for the available water vapor. In addition, we show an approach to parameterize local interactions by diffusion. The suggested parameterization uses local steady-state solutions of the diffusion equations for water vapor for an ice particle as well as a droplet. The individual solutions are coupled together to obtain the desired interaction. We show some results of the scheme as implemented in a parcel model.

Shear jamming: where does it come from and how is it affected by particle properties?

NASA Astrophysics Data System (ADS)

Wang, Dong

Granular systems have been shown to be able to behave like solids, under shear, even when their densities are below the critical packing fraction for frictionless isotropic jamming. To understand such a phenomena, called shear jamming, the questions we address here is: how does shear bring a system from a unjammed state to a jammed state and how do particle properties, such as inter-particle friction and particle shape, affect shear jamming? Since Z can be used to distinguish jammed states from unjammed ones (Z = 3 is the isotropic jamming point for 2 D frictional disks), it is vital to understand how shear increases Z. In the first part of this talk, we propose a set of three particles in contact, denoted as a trimer, as the basic unit to microscopically characterize the deformation of the system. Trimers, stabilized by inter-grain friction, are then expected to bend in response to shear to make extra contacts to regain stability. By defining a projection operator of the opening angle of the trimer to the compression direction in the shear, O, we see a systematically linear decrease of this quantity with respect to shear strain, demonstrating the bending of trimers as expected. In the second part of this talk, we look into the effect of particle properties on shear jamming. Photoelastic disks either wrapped with Teflon to reduce friction or with fine teeth on the edge to increase friction are used to study the effect of friction. In addition, disks are replaced with ellipses to introduce anisotropy into the particle shape. Shear jamming is observed for all the cases. For the disk system, the lowest packing fraction that can reach a shear jammed state increases with friction. For the ellipse system, shear brings the system to a more ordered state and particles tend to align to a certain angle relative to the principal directions of shear, regardless of packing fraction. Support by NSF DMR1206351, NASA NNX15AD38G, the W. M. Keck Foundation and a Triangle MRSEC fellowship is greatly appreciated.

Interparticle interactions effects on the magnetic order in surface of FeO4 nanoparticles.

PubMed

Lima, E; Vargas, J M; Rechenberg, H R; Zysler, R D

2008-11-01

We report interparticle interactions effects on the magnetic structure of the surface region in Fe3O4 nanoparticles. For that, we have studied a desirable system composed by Fe3O4 nanoparticles with (d) = 9.3 nm and a narrow size distribution. These particles present an interesting morphology constituted by a crystalline core and a broad (approximately 50% vol.) disordered superficial shell. Two samples were prepared with distinct concentrations of the particles: weakly-interacting particles dispersed in a polymer and strongly-dipolar-interacting particles in a powder sample. M(H, T) measurements clearly show that strong dipolar interparticle interaction modifies the magnetic structure of the structurally disordered superficial shell. Consequently, we have observed drastically distinct thermal behaviours of magnetization and susceptibility comparing weakly- and strongly-interacting samples for the temperature range 2 K < T < 300 K. We have also observed a temperature-field dependence of the hysteresis loops of the dispersed sample that is not observed in the hysteresis loops of the powder one.

Dipole interaction of the Quincke rotating particles.

PubMed

Dolinsky, Yu; Elperin, T

2012-02-01

We study the behavior of particles having a finite electric permittivity and conductivity in a weakly conducting fluid under the action of the external electric field. We consider the case when the strength of the external electric field is above the threshold, and particles rotate due to the Quincke effect. We determine the magnitude of the dipole interaction of the Quincke rotating particles and the shift of frequency of the Quincke rotation caused by the dipole interaction between the particles. It is demonstrated that depending on the mutual orientation of the vectors of angular velocities of particles, vector-directed along the straight line between the centers of the particles and the external electric field strength vector, particles can attract or repel each other. In contrast to the case of nonrotating particles when the magnitude of the dipole interaction increases with the increase of the strength of the external electric field, the magnitude of the dipole interaction of the Quincke rotating particles either does not change or decreases with the increase of the strength of the external electric field depending on the strength of the external electric field and electrodynamic parameters of the particles.

Dipole interaction of the Quincke rotating particles

NASA Astrophysics Data System (ADS)

Dolinsky, Yu.; Elperin, T.

2012-02-01

We study the behavior of particles having a finite electric permittivity and conductivity in a weakly conducting fluid under the action of the external electric field. We consider the case when the strength of the external electric field is above the threshold, and particles rotate due to the Quincke effect. We determine the magnitude of the dipole interaction of the Quincke rotating particles and the shift of frequency of the Quincke rotation caused by the dipole interaction between the particles. It is demonstrated that depending on the mutual orientation of the vectors of angular velocities of particles, vector-directed along the straight line between the centers of the particles and the external electric field strength vector, particles can attract or repel each other. In contrast to the case of nonrotating particles when the magnitude of the dipole interaction increases with the increase of the strength of the external electric field, the magnitude of the dipole interaction of the Quincke rotating particles either does not change or decreases with the increase of the strength of the external electric field depending on the strength of the external electric field and electrodynamic parameters of the particles.

Strong field QED in lepton colliders and electron/laser interactions

NASA Astrophysics Data System (ADS)

Hartin, Anthony

2018-05-01

The studies of strong field particle physics processes in electron/laser interactions and lepton collider interaction points (IPs) are reviewed. These processes are defined by the high intensity of the electromagnetic fields involved and the need to take them into account as fully as possible. Thus, the main theoretical framework considered is the Furry interaction picture within intense field quantum field theory. In this framework, the influence of a background electromagnetic field in the Lagrangian is calculated nonperturbatively, involving exact solutions for quantized charged particles in the background field. These “dressed” particles go on to interact perturbatively with other particles, enabling the background field to play both macroscopic and microscopic roles. Macroscopically, the background field starts to polarize the vacuum, in effect rendering it a dispersive medium. Particles encountering this dispersive vacuum obtain a lifetime, either radiating or decaying into pair particles at a rate dependent on the intensity of the background field. In fact, the intensity of the background field enters into the coupling constant of the strong field quantum electrodynamic Lagrangian, influencing all particle processes. A number of new phenomena occur. Particles gain an intensity-dependent rest mass shift that accounts for their presence in the dispersive vacuum. Multi-photon events involving more than one external field photon occur at each vertex. Higher order processes which exchange a virtual strong field particle resonate via the lifetimes of the unstable strong field states. Two main arenas of strong field physics are reviewed; those occurring in relativistic electron interactions with intense laser beams, and those occurring in the beam-beam physics at the interaction point of colliders. This review outlines the theory, describes its significant novel phenomenology and details the experimental schema required to detect strong field effects and the simulation programs required to model them.

Development of gravity theory application in the internalregional inter-zone commodity movement distribution with the origin zone movement generation boundary

NASA Astrophysics Data System (ADS)

Akbardin, J.; Parikesit, D.; Riyanto, B.; TMulyono, A.

2018-05-01

Zones that produce land fishery commodity and its yields have characteristics that is limited in distribution capability because infrastructure conditions availability. High demand for fishery commodities caused to a growing distribution at inefficient distribution distance. The development of the gravity theory with the limitation of movement generation from the production zone can increase the interaction inter-zones by distribution distances effectively and efficiently with shorter movement distribution distances. Regression analysis method with multiple variable of transportation infrastructure condition based on service level and quantitative capacity is determined to estimate the 'mass' of movement generation that is formed. The resulting movement distribution (Tid) model has the equation Tid = 27.04 -0.49 tid. Based on barrier function of power model with calibration value β = 0.0496. In the way of development of the movement generation 'mass' boundary at production zone will shorten the distribution distance effectively with shorter distribution distances. Shorter distribution distances will increase the accessibility inter-zones to interact according to the magnitude of the movement generation 'mass'.

Single particle tracking reveals spatial and dynamic organization of the Escherichia coli biofilm matrix

NASA Astrophysics Data System (ADS)

Birjiniuk, Alona; Billings, Nicole; Nance, Elizabeth; Hanes, Justin; Ribbeck, Katharina; Doyle, Patrick S.

2014-08-01

Biofilms are communities of surface-adherent bacteria surrounded by secreted polymers known as the extracellular polymeric substance. Biofilms are harmful in many industries, and thus it is of great interest to understand their mechanical properties and structure to determine ways to destabilize them. By performing single particle tracking with beads of varying surface functionalization it was found that charge interactions play a key role in mediating mobility within biofilms. With a combination of single particle tracking and microrheological concepts, it was found that Escherichia coli biofilms display height dependent charge density that evolves over time. Statistical analyses of bead trajectories and confocal microscopy showed inter-connecting micron scale channels that penetrate throughout the biofilm, which may be important for nutrient transfer through the system. This methodology provides significant insight into a particular biofilm system and can be applied to many others to provide comparisons of biofilm structure. The elucidation of structure provides evidence for the permeability of biofilms to microscale objects, and the ability of a biofilm to mature and change properties over time.

Dusty gas influences on transport in turbulent erosive propellant flow

NASA Astrophysics Data System (ADS)

Buckingham, A. C.

1980-01-01

A theoretical-numerical model is introduced which relates the influences of particles on erosive transport in a turbulent reactive boundary layer. Specifically, this discussion concerns additive particles used to suppress wall erosion in gun barrel turbulent propellant combustion. The turbulent-particle interactions are modeled with random particulate motion computations. These produce particulate trajectories, distributions and momenta. The interaction model includes effects of particle size, mass, and rotation as well as two-particle hard sphere collisions. The main purpose of this work is to evaluate the effects of the particles on the energy, mass, and momentum transport in the erosive wall boundary layer region. Neglecting thermal relaxation, the heat transfer rates are found to be substantially reduced when smaller diameter (0.2 micron) particles are introduced as compared to larger diameter particles (5 microns).

Thio-phene-2-carbonyl azide.

PubMed

Hsu, Gene C; Singer, Laci M; Cordes, David B; Findlater, Michael

2013-01-01

The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018 Å) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding inter-actions between adjacent mol-ecules. Of particular note is the occurrence of RC-H⋯N(-)=N(+)=NR inter-actions between an aromatic C-H group and an azide moiety which, in conjunction with a complementary C-H⋯O=C inter-action, forms a nine-membered ring.

Targeting Allosteric Control Mechanisms in Heat Shock Protein 70 (Hsp70)

PubMed Central

Li, Xiaokai; Shao, Hao; Taylor, Isabelle R.; Gestwicki, Jason E.

2017-01-01

Heat shock protein 70 (Hsp70) is a molecular chaperone that plays critical roles in protein homeostasis. Hsp70’s chaperone activity is coordinated by intra-molecular interactions between its two domains, as well as inter-molecular interactions between Hsp70 and its co-chaperones. Each of these contacts represents a potential opportunity for the development of chemical inhibitors. To illustrate this concept, we review three classes of recently identified molecules that bind distinct pockets on Hsp70. Although all three compounds share the ability to interrupt core biochemical functions of Hsp70, they stabilize different conformers. Accordingly, each compound appears to interrupt a specific subset of inter- and intra-molecular interactions. Thus, an accurate definition of an Hsp70 inhibitor may require a particularly detailed understanding of the molecule’s binding site and its effects on protein-protein interactions. PMID:27072701

Applicability of effective pair potentials for active Brownian particles.

PubMed

Rein, Markus; Speck, Thomas

2016-09-01

We have performed a case study investigating a recently proposed scheme to obtain an effective pair potential for active Brownian particles (Farage et al., Phys. Rev. E 91, 042310 (2015)). Applying this scheme to the Lennard-Jones potential, numerical simulations of active Brownian particles are compared to simulations of passive Brownian particles interacting by the effective pair potential. Analyzing the static pair correlations, our results indicate a limited range of activity parameters (speed and orientational correlation time) for which we obtain quantitative, or even qualitative, agreement. Moreover, we find a qualitatively different behavior for the virial pressure even for small propulsion speeds. Combining these findings we conclude that beyond linear response active particles exhibit genuine non-equilibrium properties that cannot be captured by effective pair interaction alone.

InterAction Database (IADB)

Cancer.gov

The InterAction Database includes demographic and prescription information for more than 500,000 patients in the northern and middle Netherlands and has been integrated with other systems to enhance data collection and analysis.

Friction on a granular-continuum interface: Effects of granular media

NASA Astrophysics Data System (ADS)

Ecke, Robert; Geller, Drew

We consider the frictional interactions of two soft plates with interposed granular material subject to normal and shear forces. The plates are soft photo-elastic material, have length 50 cm, and are separated by a gap of variable width from 0 to 20 granular particle diameters. The granular materials are two-dimensional rods that are bi-dispersed in size to prevent crystallization. Different rod materials with frictional coefficients between 0 . 04 < μ < 0 . 5 are used to explore the effects of inter-granular friction on the effective friction of a granular medium. The gap is varied to test the dependence of the friction coefficient on the thickness of the granular layer. Because the soft plates absorb most of the displacement associated with the compressional normal force, the granular packing fractions are close to a jamming threshold, probably a shear jamming criterion. The overall shear and normal forces are measured using force sensors and the local strain tensor over a central portion of the gap is obtained using relative displacements of fiducial markers on the soft elastic material. These measurements provide a good characterization of the global and local forces giving rise to an effective friction coefficient. Funded by US DOE LDRD Program.

Hidden multiparticle excitation in a weakly interacting Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Watabe, Shohei

2018-03-01

We investigate multiparticle excitation effect on a collective density excitation as well as a single-particle excitation in a weakly interacting Bose-Einstein condensate (BEC). We find that although the weakly interacting BEC offers weak multiparticle excitation spectrum at low temperatures, this multiparticle excitation effect may not remain hidden, but emerges as bimodality in the density response function through the single-particle excitation. Identification of spectra in the BEC between the single-particle excitation and the density excitation is also assessed at nonzero temperatures, which has been known to be unique nature in the BEC at absolute zero temperature.

Dynamic Electrorheological Effects of Rotating Particles:

NASA Astrophysics Data System (ADS)

Yu, K. W.; Gu, G. Q.; Huang, J. P.; Xiao, J. J.

Particle rotation leads to a steady-state which is different from the equilibrium state in the absence of rotational motion. The change of the polarization of the particle due to the rotational motion is called the dynamic electrorheological effect (DER). There are three cases to be considered: rotating particles in a dc field, particle rotation due to a rotating field and spontaneous rotation of particle in dc field (Quincke rotation). In the DER of rotating particles, the particle rotational motion generally reduces the interparticle force between the particles. The effect becomes pronounced when the frequency is on the order of the relaxation rate of the surface charges. In the electrorotation of particles, the mutual interaction between approaching particles will change the electrorotation spectrum significantly. The electrorotation spectrum depends strongly on the medium conductivity as well as the conductivity contrast between the particle and the medium. In the collective behaviors of Quincke rotors, the mutual interactions between the individual rotors lead to the assembly of chain-like structures which make an angle with the applied field. This has an implication of a new class of material.

Detection of Diffusion Heterogeneity in Single Particle Tracking Trajectories Using a Hidden Markov Model with Measurement Noise Propagation

PubMed Central

Slator, Paddy J.; Cairo, Christopher W.; Burroughs, Nigel J.

2015-01-01

We develop a Bayesian analysis framework to detect heterogeneity in the diffusive behaviour of single particle trajectories on cells, implementing model selection to classify trajectories as either consistent with Brownian motion or with a two-state (diffusion coefficient) switching model. The incorporation of localisation accuracy is essential, as otherwise false detection of switching within a trajectory was observed and diffusion coefficient estimates were inflated. Since our analysis is on a single trajectory basis, we are able to examine heterogeneity between trajectories in a quantitative manner. Applying our method to the lymphocyte function-associated antigen 1 (LFA-1) receptor tagged with latex beads (4 s trajectories at 1000 frames s−1), both intra- and inter-trajectory heterogeneity were detected; 12–26% of trajectories display clear switching between diffusive states dependent on condition, whilst the inter-trajectory variability is highly structured with the diffusion coefficients being related by D 1 = 0.68D 0 − 1.5 × 104 nm2 s−1, suggestive that on these time scales we are detecting switching due to a single process. Further, the inter-trajectory variability of the diffusion coefficient estimates (1.6 × 102 − 2.6 × 105 nm2 s−1) is very much larger than the measurement uncertainty within trajectories, suggesting that LFA-1 aggregation and cytoskeletal interactions are significantly affecting mobility, whilst the timescales of these processes are distinctly different giving rise to inter- and intra-trajectory variability. There is also an ‘immobile’ state (defined as D < 3.0 × 103 nm2 s−1) that is rarely involved in switching, immobility occurring with the highest frequency (47%) under T cell activation (phorbol-12-myristate-13-acetate (PMA) treatment) with enhanced cytoskeletal attachment (calpain inhibition). Such ‘immobile’ states frequently display slow linear drift, potentially reflecting binding to a dynamic actin cortex. Our methods allow significantly more information to be extracted from individual trajectories (ultimately limited by time resolution and time-series length), and allow statistical comparisons between trajectories thereby quantifying inter-trajectory heterogeneity. Such methods will be highly informative for the construction and fitting of molecule mobility models within membranes incorporating aggregation, binding to the cytoskeleton, or traversing membrane microdomains. PMID:26473352

On the reduced dynamics of a subset of interacting bosonic particles

NASA Astrophysics Data System (ADS)

Gessner, Manuel; Buchleitner, Andreas

2018-03-01

The quantum dynamics of a subset of interacting bosons in a subspace of fixed particle number is described in terms of symmetrized many-particle states. A suitable partial trace operation over the von Neumann equation of an N-particle system produces a hierarchical expansion for the subdynamics of M ≤ N particles. Truncating this hierarchy with a pure product state ansatz yields the general, nonlinear coherent mean-field equation of motion. In the special case of a contact interaction potential, this reproduces the Gross-Pitaevskii equation. To account for incoherent effects on top of the mean-field evolution, we discuss possible extensions towards a second-order perturbation theory that accounts for interaction-induced decoherence in form of a nonlinear Lindblad-type master equation.

Interaction of free charged particles with a chirped electromagnetic pulse.

PubMed

Khachatryan, A G; van Goor, F A; Boller, K-J

2004-12-01

We study the effect of chirp on electromagnetic (EM) pulse interaction with a charged particle. Both the one-dimensional (1D) and 3D cases are considered. It is found that, in contrast to the case of a nonchirped pulse, the charged particle energy can be changed after the interaction with a 1D EM chirped pulse. Different types of chirp and pulse envelopes are considered. In the case of small chirp, an analytical expression is found for arbitrary temporal profiles of the chirp and the pulse envelope. In the 3D case, the interaction with a chirped pulse results in a polarization-dependent scattering of charged particles.

Cluster model studies of anion and molecular specificities via electrospray ionization photoelectron spectroscopy

DOE PAGES

Wang, Xue -Bin

2017-01-06

Ion specificity, a widely observed macroscopic phenomenon in condensed phases and at interfaces, is essentially a fundamental chemical physical issue. We have been investigating such effects using cluster models in an “atom-by-atom” and “molecule-by-molecule” fashion not possible with condensed-phase methods. We use electrospray ionization (ESI) to generate molecular and ionic clusters to simulate key molecular entities involved in local binding regions, and characterize them employing negative ion photoelectron spectroscopy (NIPES). Inter- and intramolecular interactions and binding configurations are directly obtained as functions of cluster size and composition, providing insightful molecular-level description and characterization over the local active sites that playmore » crucial roles in determining solution chemistry and condensed phase phenomena. Finally, the topics covered in this article are relevant to a wide scope of research fields ranging from ion specific effects in electrolyte solutions, ion selectivity/recognition in normal functioning of life, to molecular specificity in aerosol particle formation, as well as in rational material design and synthesis.« less

Oil biodegradation: Interactions of artificial marine snow, clay particles, oil and Corexit.

PubMed

Rahsepar, Shokouh; Langenhoff, Alette A M; Smit, Martijn P J; van Eenennaam, Justine S; Murk, Albertinka J; Rijnaarts, Huub H M

2017-12-15

During the Deepwater Horizon (DwH) oil spill, interactions between oil, clay particles and marine snow lead to the formation of aggregates. Interactions between these components play an important, but yet not well understood, role in biodegradation of oil in the ocean water. The aim of this study is to explore the effect of these interactions on biodegradation of oil in the water. Laboratory experiments were performed, analyzing respiration and n-alkane and BTEX biodegradation in multiple conditions containing Corexit, alginate particles as marine snow, and kaolin clay. Two oil degrading bacterial pure cultures were added, Pseudomonas putida F1 and Rhodococcus qingshengii TUHH-12. Results show that the presence of alginate particles enhances oil biodegradation. The presence of Corexit alone or in combination with alginate particles and/or kaolin clay, hampers oil biodegradation. Kaolin clay and Corexit have a synergistic effect in increasing BTEX concentrations in the water and cause delay in oil biodegradation. Copyright © 2017 Elsevier Ltd. All rights reserved.

The Demonstration and Science Experiments (DSX) Mission

NASA Astrophysics Data System (ADS)

McCollough, J. P., II; Johnston, W. R.; Starks, M. J.; Albert, J.

2015-12-01

In 2016, the Air Force Research Laboratory will launch its Demonstration and Science Experiments mission to investigate wave-particle interactions and the particle and space environment in medium Earth orbit (MEO). The DSX spacecraft includes three experiment packages. The Wave Particle Interaction Experiment (WPIx) will perform active and passive investigations involving VLF waves and their interaction with plasma and energetic electrons in MEO. The Space Weather Experiment (SWx) includes five particle instruments to survey the MEO electron and proton environment. The Space Environmental Effects Experiment (SFx) will investigate effects of the MEO environment on electronics and materials. We will describe the capabilities of the DSX science payloads, science plans, and opportunities for collaborative studies such as conjunction observations and far-field measurements.

X-ray Computed Tomography and Pore Network Modeling to Assess the Impact of Biochar on Saturated Hydraulic Conductivity of Stormwater Infiltration Media

NASA Astrophysics Data System (ADS)

Imhoff, P. T.; Nakhli, S. A. A.; Mills, G.; Yudi, Y.; Abera, K.; Williams, R.; Manahiloh, K. N.; Willson, C. S.

2017-12-01

Biochar has been proposed as an amendment to stormwater infiltration media to enhance pollutant capture (metals, organics) or transformation (e.g., nitrate). Because stormwater media must maintain sufficient infiltration capacity, it is critical that biochar amendment not reduce saturated hydraulic conductivity. We present experimental measurements of saturated hydraulic conductivity for mixtures of wood biochar, sieved to various size fractions, and uniform sands or bioretention media (mixtures of sand, clay, and sawdust). While the influence of biochar on the inter particle pore volume of the mixtures explained most changes in hydraulic conductivity, for mixtures containing large biochar particles results were unexpected. For example, while large biochar particles (2 - 4.75 mm) increased inter particle porosity from 0.35 to 0.48 for a sand/biochar mixture, hydraulic conductivity decreased from 820 ± 90 cm/h to 323 ± 2 cm/h. To understand this and other unusual data, biochar was doped with 3% CsCl, mixed with uniform sand using different packing techniques, and analyzed with X-ray computed tomography to assess biochar distribution and pore structure. Depending on packing technique, biochar particles were either segregated or uniformly mixed, which influenced pore structure. Biochar content and inter particle pore volume determined from X-ray images were in excellent agreement with experimental data (< 5% difference). Grain-based algorithms were then used to generate physically-representative pore networks, and single-phase permeability models were employed to estimate saturated hydraulic conductivity of sand and biochar-amended sand packings for specimens prepared with different packing techniques. Results from these analyses will be presented and compared with experimental measurements to elucidate the mechanisms by which large biochar particles alter the saturated hydraulic conductivity of engineered media.

Cell-cell interactions of isolated and cultured oligodendrocytes: formation of linear occluding junctions and expression of peculiar intramembrane particles.

PubMed

Massa, P T; Szuchet, S; Mugnaini, E

1984-12-01

Oligodendrocytes were isolated from lamb brain. Freshly isolated cells and cultured cells, either 1- to 4-day-old unattached or 1- to 5-week-old attached, were examined by thin section and freeze-fracture electron microscopy. Freeze-fracture of freshly isolated oligodendrocytes showed globular and elongated intramembrane particles similar to those previously described in oligodendrocytes in situ. Enrichment of these particles was seen at sites of inter-oligodendrocyte contact. Numerous gap junctions and scattered linear tight junctional arrays were apparent. Gap junctions were connected to blebs of astrocytic plasma membrane sheared off during isolation, whereas tight junctions were facing extracellular space or blebs of oligodendrocytic plasma membrane. Thin sections of cultured, unattached oligodendrocytes showed rounded cell bodies touching one another at points without forming specialized cell junctions. Cells plated on polylysine-coated aclar dishes attached, emanated numerous, pleomorphic processes, and expressed galactocerebroside and myelin basic protein, characteristic markers for oligodendrocytes. Thin sections showed typical oligodendrocyte ultrastructure but also intermediate filaments not present in unattached cultures. Freeze-fracture showed intramembrane particles similar to but more numerous, and with a different fracture face repartition, than those seen in oligodendrocytes, freshly isolated or in situ. Gap junctions were small and rare. Apposed oligodendrocyte plasma membrane formed linear tight junctions which became more numerous with time in culture. Thus, cultured oligodendrocytes isolated from ovine brains develop and maintain features characteristic of mature oligodendrocytes in situ and can be used to explore formation and maintenance of tight junctions and possibly other classes of cell-cell interactions important in the process of myelination.

Relating structure and flow of soft colloids

NASA Astrophysics Data System (ADS)

Kundu, S. K.; Gupta, S.; Stellbrink, J.; Willner, L.; Richter, D.

2013-11-01

To relate the complex macroscopic flow of soft colloids to details of its microscopic equilibrium and non-equilibrium structure is still one big challenge in soft matter science. We investigated several well-defined colloidal model systems like star polymers or diblock copolymer micelles by linear/non-linear rheology, static/dynamic light scattering (SLS/DLS) and small angle neutron scattering (SANS). In addition, in-situ SANS experiments during shear (Rheo-SANS) revealed directly shear induced structural changes on a microscopic level. Varying the molecular architecture of the individual colloidal particle as well as particle-particle interactions and covering at the same time a broad concentration range from the very dilute to highly concentrated, glassy regime, we could separate contributions from intra- and inter-particle softness. Both can be precisely "tuned" by varying systematically the functionality, 6 ≤ f≤ 64, for star polymers or aggregation number, 30 ≤ N agg ≤ 1000 for diblock copolymer micelles, as well as the degree of polymerization of the individual polymer arm 100 ≤ D p ≤ 3000. In dilute solutions, the characteristic shear rate at which deformation of the soft colloid is observed can be related to the Zimm time of the polymeric corona. In concentrated solutions, we validated a generalized Stokes-Einstein approach to describe the increase in macroscopic viscosity and mesoscopic self diffusion coefficient on approaching the glassy regime. Both can be explained in terms of an ultra-soft interaction potential. Moreover, non-equilibrium structure factors are obtained by Rheo-SANS. All experimental results are in excellent quantitative agreement with recent theoretical predictions.

Active experiments in geospace plasmas with gigawatts of RF power at HAARP

NASA Astrophysics Data System (ADS)

Sheerin, James

2016-07-01

The ionosphere provides a relatively quiescent plasma target, stable on timescales of minutes, for a whole host of active plasma experiments. The largest HF transmitter built to date is the HAARP phased-array HF transmitter near Gakona, Alaska which can deliver up to 3.6 Gigawatts (ERP) of CW RF power in the range of 2.8 - 10 MHz to the ionosphere with millisecond pointing, power modulation, and frequency agility. With an ionospheric background thermal energy in the range of only 0.1 eV, this amount of power gives access to the highest regimes of the nonlinearity (RF intensity to thermal pressure) ratio. HAARP's unique features have enabled the conduct of a number of nonlinear plasma experiments in the inter¬action region of overdense ionospheric plasma including generation of artificial aurorae, artificial ionization layers, VLF wave-particle interactions in the magnetosphere, parametric instabilities, stimulated electromagnetic emissions (SEE), strong Langmuir turbulence (SLT) and suprathermal electron acceleration. Diagnostics include the Modular UHF Ionospheric Radar (MUIR) sited at HAARP, the SuperDARN-Kodiak HF radar, spacecraft radio beacons, HF receivers to record stimulated electromagnetic emissions (SEE) and optics for optical emissions. We report on short timescale ponderomotive overshoot effects, artificial field-aligned irregularities (AFAI), the aspect angle dependence of the intensity of the HF-enhanced plasma line, and production of suprathermal electrons. Applications are made to the controlled study of fundamental nonlinear plasma processes of relevance to laboratory plasmas, ionospheric irregularities affecting spacecraft communication and navigation systems, artificial ionization mirrors, wave-particle interactions in the magnetosphere, active global magnetospheric experiments, and many more.

Interaction of a parabolic-shaped pulse pair in a passively mode-locked Yb-doped fiber laser

NASA Astrophysics Data System (ADS)

Wang, Da-Shuai; Wu, Ge; Gao, Bo; Tian, Xiao-Jian

2013-01-01

We numerically investigate the formation and interaction of a parabolic-shaped pulse pair in a passively mode-locked Yb-doped fiber laser. Based on a lumped model, the parabolic-shaped pulse pair is obtained by controlling the inter-cavity average dispersion and gain saturation energy, Moreover, pulse repulsive and attractive motion are also achieved with different pulse separations. Simulation results show that the phase shift plays an important role in pulse interaction, and the interaction is determined by the inter-cavity average dispersion and gain saturation energy, i.e., the strength of the interaction is proportional to the gain saturation energy, a stronger gain saturation energy will result in a higher interaction intensity. On the contrary, the increase of the inter-cavity dispersion will counterbalance some interaction force. The results also show that the interaction of a parabolic-shaped pulse pair has a larger interaction distance compared to conventional solitons.

Pore-scale Modeling of CO2 Local Trapping in Heterogeneous Porous Media with Inter-granular Cements

NASA Astrophysics Data System (ADS)

Wang, D.; Li, Y.

2017-12-01

Based on pore-scale modeling of CO2/brine multiphase flow in heterogeneous porous media with inter-granular cements, we numerically analyze the effects of cement-modified pore structure on CO2 local trapping. Results indicate: 1) small pore throat is the main reason for causing CO2 local trapping in front of low-porosity layers (namely dense layers) formed by inter-granular cements; 2) in the case of the same pore throat size, the smaller particle size can increase the number of flow paths for CO2 plume and equivalently enhances local permeability, which may counteract the impediment of high capillary pressure on CO2 migration to some extent and consequently disables CO2 local capillary trapping; 3) the isolated pores by inter-granular cements can lead to dramatic reduction of CO2 saturation inside the dense layers, whereas the change of connectivity of some pores due to the cements can increase CO2 accumulation in front of the dense layers by lowering the displacement area of CO2 plume.

The effect of cesium carbonate on 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C{sub 61} aggregation in films

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

Lindemann, William R.; Wang, Wenjie; Shinar, Joseph

2014-11-10

Surface-pressure versus molecular area isotherms, X-ray reflectivity, and X-ray near-total reflection fluorescence were used to study the properties of 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C{sub 61} (PCBM) that was pre-mixed with cesium carbonate and spread as a film at the air-water interface. The pre-mixed PCBM with cesium carbonate demonstrated a strikingly strong effect on the organization of the film. Whereas films formed from pure PCBM solution were rough due to strong inter-molecular interactions, the films formed from the mixture were much smoother. This indicates that the cesium carbonate moderates the inter-molecular interactions among PCBM molecules, hinting that the cesium diffusion observed in inverted organic photovoltaicmore » structures and the likely ensuing ionic Cs-PCBM interaction decrease aggregation tendency of PCBM. This implies that the use of cesium salts affects the morphology of the organic layer and consequently improves the efficiency of these devices.« less

The effect of cesium carbonate on 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C 61 aggregation in films

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

Lindemann, William R.; Wang, Wenjie; Fungura, Fadzai

2014-11-11

Surface-pressure isotherms, X-ray reflectivity, and X-ray near-total reflection fluorescence were used to study the properties of 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C 61 (PCBM) that was pre-mixed with cesium carbonate and spread as a film at the air-water interface. The pre-mixed PCBM with cesium carbonate demonstrated a strikingly strong effect on the organization of the film. Whereas films formed from pure PCBM solution were rough due to strong inter-molecular interactions, the films formed from the mixture were much smoother. This indicates that the cesium carbonate moderates the inter-molecular interactions among PCBM molecules, hinting that the cesium diffusion observed in inverted organic photovoltaics and the likelymore » ensuing ionic Cs-PCBM interaction decrease aggregation tendency of PCBM. As a result, this implies that the use of cesium salts affects the morphology of the organic layer and consequently improves the efficiency of these devices.« less

Water-based condensation particle counters comparison near a major freeway with significant heavy-duty diesel traffic

NASA Astrophysics Data System (ADS)

Lee, Eon S.; Polidori, Andrea; Koch, Michael; Fine, Philip M.; Mehadi, Ahmed; Hammond, Donald; Wright, Jeffery N.; Miguel, Antonio. H.; Ayala, Alberto; Zhu, Yifang

2013-04-01

This study compares the instrumental performance of three TSI water-based condensation particle counter (WCPC) models measuring particle number concentrations in close proximity (15 m) to a major freeway that has a significant level of heavy-duty diesel traffic. The study focuses on examining instrument biases and performance differences by different WCPC models under realistic field operational conditions. Three TSI models (3781, 3783, and 3785) were operated for one month in triplicate (nine units in total) in parallel with two sets of Scanning Mobility Particle Sizer (SMPS) spectrometers for the concurrent measurement of particle size distributions. Inter-model bias under different wind directions were first evaluated using 1-min raw data. Although all three WCPC models agreed well in upwind conditions (lower particle number concentrations, in the range of 103-104 particles cm-3), the three models' responses were significantly different under downwind conditions (higher particle number concentrations, above 104 particles cm-3). In an effort to increase inter-model linear correlations, we evaluated the results of using longer averaging time intervals. An averaging time of at least 15 min was found to achieve R2 values of 0.96 or higher when comparing all three models. Similar results were observed for intra-model comparisons for each of the three models. This strong linear relationship helped identify instrument bias related to particle number concentrations and particle size distributions. The TSI 3783 produced the highest particle counts, followed by TSI 3785, which reported 11% lower during downwind conditions than TSI 3783. TSI 3781 recorded particle number concentrations that were 24% lower than those observed by TSI 3783 during downwind condition. We found that TSI 3781 underestimated particles with a count median diameter less than 45 nm. Although the particle size dependency of instrument performance was found the most significant in TSI 3781, both models 3783 and 3785 showed somewhat size dependency. In addition, within each tested WCPC model, one unit was found to count significantly different and be more sensitive to particle size than the other two. Finally, exponential regression analysis was used to numerically quantify instrumental inter-model bias. Correction equations are proposed to adjust the TSI 3781 and 3785 data to the most recent model TSI 3783.

Observation of number-density-dependent growth of plasmonic nanobubbles

NASA Astrophysics Data System (ADS)

Nakajima, Takashi; Wang, Xiaolong; Chatterjee, Souvik; Sakka, Tetsuo

2016-06-01

Interaction dynamics of laser pulses and nanoparticles are of great interest in recent years. In many cases, laser-nanoparticle interactions result in the formation of plasmonic nanobubbles, and the dynamics of nanoparticles and nanobubbles are inseparable. So far, very little attention has been paid to the number density. Here we report the first observation of number-density-dependent growth of plasmonic nanobubbles. Our results show that the nanobubbles growth depends (does not depend) on the number density at high (low) laser fluence, although the inter-particle distance in the solution is as long as 14-30 μm. This cannot be explained by the existing physical picture, and we propose a new model which takes into account the pressure waves arising from nanoparticles. The numerical results based on this model agree well with the experimental results. Our findings imply that the number density can be a new doorknob to control laser-nanobubble as well as laser-nanoparticle interactions.

Observation of number-density-dependent growth of plasmonic nanobubbles.

PubMed

Nakajima, Takashi; Wang, Xiaolong; Chatterjee, Souvik; Sakka, Tetsuo

2016-06-29

Interaction dynamics of laser pulses and nanoparticles are of great interest in recent years. In many cases, laser-nanoparticle interactions result in the formation of plasmonic nanobubbles, and the dynamics of nanoparticles and nanobubbles are inseparable. So far, very little attention has been paid to the number density. Here we report the first observation of number-density-dependent growth of plasmonic nanobubbles. Our results show that the nanobubbles growth depends (does not depend) on the number density at high (low) laser fluence, although the inter-particle distance in the solution is as long as 14-30 μm. This cannot be explained by the existing physical picture, and we propose a new model which takes into account the pressure waves arising from nanoparticles. The numerical results based on this model agree well with the experimental results. Our findings imply that the number density can be a new doorknob to control laser-nanobubble as well as laser-nanoparticle interactions.

Pair interactions in polyelectrolyte-nanoparticle systems: Influence of dielectric inhomogeneities and the partial dissociation of polymers and nanoparticles.

PubMed

Pryamitsyn, Victor; Ganesan, Venkat

2015-10-28

We study the effective pair interactions between two charged spherical particles in polyelectrolyte solutions using polymer self-consistent field theory. In a recent study [V. Pryamitsyn and V. Ganesan, Macromolecules 47, 6095 (2015)], we considered a model in which the particles possess fixed charge density, the polymers contain a prespecified amount of dissociated charges and, the dielectric constant of the solution was assumed to be homogeneous in space and independent of the polymer concentration. In this article, we present results extending our earlier model to study situations in which either or both the particle and the polymers possess partially dissociable groups. Additionally, we also consider the case when the dielectric constant of the solution depends on the local concentration of the polymers and when the particle's dielectric constant is lower than that of the solvent. For each case, we quantify the polymer-mediated interactions between the particles as a function of the polymer concentrations and the degree of dissociation of the polymer and particles. Consistent with the results of our previous study, we observe that the polymer-mediated interparticle interactions consist of a short-range attraction and a long-range repulsion. The partial dissociablity of the polymer and particles was seen to have a strong influence on the strength of the repulsive portion of the interactions. Rendering the dielectric permittivity to be inhomogeneous has an even stronger effect on the repulsive interactions and results in changes to the qualitative nature of interactions in some parametric ranges.

Soft repulsive mixtures under gravity: Brazil-nut effect, depletion bubbles, boundary layering, nonequilibrium shaking

NASA Astrophysics Data System (ADS)

Kruppa, Tobias; Neuhaus, Tim; Messina, René; Löwen, Hartmut

2012-04-01

A binary mixture of particles interacting via long-ranged repulsive forces is studied in gravity by computer simulation and theory. The more repulsive A-particles create a depletion zone of less repulsive B-particles around them reminiscent to a bubble. Applying Archimedes' principle effectively to this bubble, an A-particle can be lifted in a fluid background of B-particles. This "depletion bubble" mechanism explains and predicts a brazil-nut effect where the heavier A-particles float on top of the lighter B-particles. It also implies an effective attraction of an A-particle towards a hard container bottom wall which leads to boundary layering of A-particles. Additionally, we have studied a periodic inversion of gravity causing perpetuous mutual penetration of the mixture in a slit geometry. In this nonequilibrium case of time-dependent gravity, the boundary layering persists. Our results are based on computer simulations and density functional theory of a two-dimensional binary mixture of colloidal repulsive dipoles. The predicted effects also occur for other long-ranged repulsive interactions and in three spatial dimensions. They are therefore verifiable in settling experiments on dipolar or charged colloidal mixtures as well as in charged granulates and dusty plasmas.

Soft repulsive mixtures under gravity: brazil-nut effect, depletion bubbles, boundary layering, nonequilibrium shaking.

PubMed

Kruppa, Tobias; Neuhaus, Tim; Messina, René; Löwen, Hartmut

2012-04-07

A binary mixture of particles interacting via long-ranged repulsive forces is studied in gravity by computer simulation and theory. The more repulsive A-particles create a depletion zone of less repulsive B-particles around them reminiscent to a bubble. Applying Archimedes' principle effectively to this bubble, an A-particle can be lifted in a fluid background of B-particles. This "depletion bubble" mechanism explains and predicts a brazil-nut effect where the heavier A-particles float on top of the lighter B-particles. It also implies an effective attraction of an A-particle towards a hard container bottom wall which leads to boundary layering of A-particles. Additionally, we have studied a periodic inversion of gravity causing perpetuous mutual penetration of the mixture in a slit geometry. In this nonequilibrium case of time-dependent gravity, the boundary layering persists. Our results are based on computer simulations and density functional theory of a two-dimensional binary mixture of colloidal repulsive dipoles. The predicted effects also occur for other long-ranged repulsive interactions and in three spatial dimensions. They are therefore verifiable in settling experiments on dipolar or charged colloidal mixtures as well as in charged granulates and dusty plasmas.

Microscopic Lagrangian description of warm plasmas. III - Nonlinear wave-particle interaction

NASA Technical Reports Server (NTRS)

Galloway, J. J.; Crawford, F. W.

1977-01-01

The averaged-Lagrangian method is applied to nonlinear wave-particle interactions in an infinite, homogeneous, magnetic-field-free plasma. The specific example of Langmuir waves is considered, and the combined effects of four-wave interactions and wave-particle interactions are treated. It is demonstrated how the latter lead to diffusion in velocity space, and the quasilinear diffusion equation is derived. The analysis is generalized to the random phase approximation. The paper concludes with a summary of the method as applied in Parts 1-3 of the paper.

Spatiotemporal analysis of turbulent jets enabled by 100-kHz, 100-ms burst-mode particle image velocimetry

NASA Astrophysics Data System (ADS)

Miller, Joseph D.; Jiang, Naibo; Slipchenko, Mikhail N.; Mance, Jason G.; Meyer, Terrence R.; Roy, Sukesh; Gord, James R.

2016-12-01

100-kHz particle image velocimetry (PIV) is demonstrated using a double-pulsed, burst-mode laser with a burst duration up to 100 ms. This enables up to 10,000 time-sequential vector fields for capturing a temporal dynamic range spanning over three orders of magnitude in high-speed turbulent flows. Pulse doublets with inter-pulse spacing of 2 µs and repetition rate of 100 kHz are generated using a fiber-based oscillator and amplified through an all-diode-pumped, burst-mode amplifier. A physics-based model of pulse doublet amplification in the burst-mode amplifier is developed and used to accurately predict oscillator pulse width and pulse intensity inputs required to generate equal-energy pulse doublets at 532 nm for velocity measurements. The effect of PIV particle response and high-speed-detector limitations on the spatial and temporal resolution are estimated in subsonic turbulent jets. An effective spatial resolution of 266-275 µm and temporal resolution of 10 µs are estimated from the 8 × 8 pixel correlation window and inter-doublet time spacing, respectively. This spatiotemporal resolution is sufficient for quantitative assessment of integral time and length scales in highly turbulent jets with Reynolds numbers in the range 15,000-50,000. The temporal dynamic range of the burst-mode PIV measurement is 1200, limited by the 85-ms high-energy portion of the burst and 30-kHz high-frequency noise limit.

Plasma Interaction and Energetic Particle Dynamics near Callisto

NASA Astrophysics Data System (ADS)

Liuzzo, L.; Simon, S.; Feyerabend, M.; Motschmann, U. M.

2017-12-01

Callisto's magnetic environment is characterized by a complex admixture of induction signals from its conducting subsurface ocean, the interaction of corotating Jovian magnetospheric plasma with the moon's ionosphere and induced dipole, and the non-linear coupling between the effects. In contrast to other Galilean moons, ion gyroradii near Callisto are comparable to its size, requiring a kinetic treatment of the interaction region near the moon. Thus, we apply the hybrid simulation code AIKEF to constrain the competing effects of plasma interaction and induction. We determine their influence on the magnetic field signatures measured by Galileo during various Callisto flybys. We use the magnetic field calculated by the model to investigate energetic particle dynamics and their effect on Callisto's environment. From this, we provide a map of global energetic particle precipitation onto Callisto's surface, which may contribute to the generation of its atmosphere.

Emergent ultra–long-range interactions between active particles in hybrid active–inactive systems

PubMed Central

Steimel, Joshua P.; Aragones, Juan L.; Hu, Helen; Qureshi, Naser; Alexander-Katz, Alfredo

2016-01-01

Particle–particle interactions determine the state of a system. Control over the range of such interactions as well as their magnitude has been an active area of research for decades due to the fundamental challenges it poses in science and technology. Very recently, effective interactions between active particles have gathered much attention as they can lead to out-of-equilibrium cooperative states such as flocking. Inspired by nature, where active living cells coexist with lifeless objects and structures, here we study the effective interactions that appear in systems composed of active and passive mixtures of colloids. Our systems are 2D colloidal monolayers composed primarily of passive (inactive) colloids, and a very small fraction of active (spinning) ferromagnetic colloids. We find an emergent ultra–long-range attractive interaction induced by the activity of the spinning particles and mediated by the elasticity of the passive medium. Interestingly, the appearance of such interaction depends on the spinning protocol and has a minimum actuation timescale below which no attraction is observed. Overall, these results clearly show that, in the presence of elastic components, active particles can interact across very long distances without any chemical modification of the environment. Such a mechanism might potentially be important for some biological systems and can be harnessed for newer developments in synthetic active soft materials. PMID:27071096

Progress in the Analysis of Complex Atmospheric Particles.

PubMed

Laskin, Alexander; Gilles, Mary K; Knopf, Daniel A; Wang, Bingbing; China, Swarup

2016-06-12

This article presents an overview of recent advances in field and laboratory studies of atmospheric particles formed in processes of environmental air-surface interactions. The overarching goal of these studies is to advance predictive understanding of atmospheric particle composition, particle chemistry during aging, and their environmental impacts. The diversity between chemical constituents and lateral heterogeneity within individual particles adds to the chemical complexity of particles and their surfaces. Once emitted, particles undergo transformation via atmospheric aging processes that further modify their complex composition. We highlight a range of modern analytical approaches that enable multimodal chemical characterization of particles with both molecular and lateral specificity. When combined, these approaches provide a comprehensive arsenal of tools for understanding the nature of particles at air-surface interactions and their reactivity and transformations with atmospheric aging. We discuss applications of these novel approaches in recent studies and highlight additional research areas to explore the environmental effects of air-surface interactions.

Diversity, specificity, co-occurrence and hub taxa of the bacterial-fungal pollen microbiome.

PubMed

Manirajan, Binoy Ambika; Maisinger, Corinna; Ratering, Stefan; Rusch, Volker; Schwiertz, Andreas; Cardinale, Massimiliano; Schnell, Sylvia

2018-06-06

Flower pollen represents a unique microbial habitat, however the factors driving microbial assemblages and microbe-microbe interactions remain largely unexplored. Here we compared the structure and diversity of the bacterial-fungal microbiome between eight different pollen species (four wind-pollinated and four insect-pollinated) from close geographical locations, using high-throughput sequencing of a 16S the rRNA gene fragment (bacteria) and the internal transcribed spacer 2 (ITS2, fungi). Proteobacteria and Ascomycota were the most abundant bacterial and fungal phyla, respectively. Pseudomonas (bacterial) and Cladosporium (fungal) were the most abundant genera. Both bacterial and fungal microbiota were significantly influenced by plant species and pollination type, but showed a core microbiome consisting of 12 bacterial and 33 fungal genera. Co-occurrence analysis highlighted significant inter- and intra-kingdom interactions, and the interaction network was shaped by four bacterial hub taxa: Methylobacterium (two OTUs), Friedmanniella and Rosenbergiella. Rosenbergiella prevailed in insect-pollinated pollen and was negatively correlated with the other hubs, indicating habitat complementarity. Inter-kingdom co-occurrence showed a predominant effect of fungal on bacterial taxa. This study enhances our basic knowledge of pollen microbiota, and poses the basis for further inter- and intra-kingdom interaction studies in the plant reproductive organs.

Selective Laser Sintering of Nano Al2O3 Infused Polyamide

PubMed Central

Warnakula, Anthony; Singamneni, Sarat

2017-01-01

Nano Al2O3 polyamide composites are evaluated for processing by selective laser sintering. A thermal characterization of the polymer composite powders allowed us to establish the possible initial settings. Initial experiments are conducted to identify the most suitable combinations of process parameters. Based on the results of the initial trials, more promising ranges of different process parameters could be identified. The post sintering characterization showed evidence of sufficient inter-particle sintering and intra-layer coalescence. While the inter-particle coalescence gradually improved, the porosity levels slightly decreased with increasing laser power. The nano-filler particles tend to agglomerate around the beads along the solid tracks, possibly due to Van der Walls forces. The tensile stress results showed an almost linear increase with increasing nano-filler content. PMID:28773220

Thermodynamically consistent Langevin dynamics with spatially correlated noise predicting frictionless regime and transient attraction effect

NASA Astrophysics Data System (ADS)

Majka, M.; Góra, P. F.

2016-10-01

While the origins of temporal correlations in Langevin dynamics have been thoroughly researched, the understanding of spatially correlated noise (SCN) is rather incomplete. In particular, very little is known about the relation between friction and SCN. In this article, starting from the microscopic, deterministic model, we derive the analytical formula for the spatial correlation function in the particle-bath interactions. This expression shows that SCN is the inherent component of binary mixtures, originating from the effective (entropic) interactions. Further, employing this spatial correlation function, we postulate the thermodynamically consistent Langevin equation driven by the Gaussian SCN and calculate the adequate fluctuation-dissipation relation. The thermodynamical consistency is achieved by introducing the spatially variant friction coefficient, which can be also derived analytically. This coefficient exhibits a number of intriguing properties, e.g., the singular behavior for certain types of interactions. Eventually, we apply this new theory to the system of two charged particles in the presence of counter-ions. Such particles interact via the screened-charge Yukawa potential and the inclusion of SCN leads to the emergence of the anomalous frictionless regime. In this regime the particles can experience active propulsion leading to the transient attraction effect. This effect suggests a nonequilibrium mechanism facilitating the molecular binding of the like-charged particles.

A Printing-Centric Approach to the Electrostatic Modification of Polymer/Clay Composites for use in 3D Direct-Ink Writing

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

Rauzan, Brittany; Lehman, Sean; McCracken, Josell

Polymer/clay composite inks are exceptionally useful materials for fabrication processes based on 3D direct-ink writing, however, there remains an insufficient understanding of how their physiochemical dynamics impact printability. Using a model system, N-isopropylacrylamide/Laponite, the electrostatic interactions between Laponite platelets are modified to tune critical rheological properties in order to improve printability. Rheological measurements and X-ray scattering experiments are carried out to monitor the nano/micro-structural dynamics and complex physicochemical interactions of Laponite as it impacts complex modulus in the linear region, flow behavior, thixotropy, and yield stress of the composite ink. Modification of the electrostatic interactions between platelets reduces the yieldmore » stress of the material, while maintaining a complex microstructure that allows for sufficient recovery times upon removal of stress to form stable, and thus printable, filaments. A printing-centric approach is established based on a fundamental understanding of electrostatic inter-particle interactions, harnessing the innate microstructure of Laponite in 3D direct-ink writing of composites.« less

The effects of particle shape, size, and interaction on colloidal glasses and gels

NASA Astrophysics Data System (ADS)

Kramb, Ryan C.

Using multiple step seeded emulsion polymerization reactions, colloid particles of tunable shape are synthesized from polystyrene. In all, four particle shapes are studied referred to as spheres (S), heteronuclear dicolloids (hDC), symmetric homonuclear dicolloids (sDC), and tricolloids (TC). Two size ranges of particles are studied with approximate diameters in the range of 200-300nm and 1.1-1.3mum. The solvent ionic strength is varied from 10 -3M to 1M resulting in particle interaction potentials that range from repulsive to attractive. The effect of anisotropic shape is found to increase the glass transition volume fraction (φg) in good agreement with activated naive Mode Coupling Theory (nMCT) calculations. Differences in φg and the linear elastic modulus (G0') due to particle shape can be understood in terms of the Random Close Packed volume fraction (φRCP ) for each shape; φRCP- φg is a constant. In addition, a reentrant phase diagram is found for S and sDC particles with a maximum in the fluid state volume fraction found at weakly attractive interaction potential, in agreement well with theoretical calculations. Nonlinear rheology and yielding behavior of repulsive and attractive spheres and anisotropic particles are examined and understood in terms of barriers constraining motion. The barriers are due to interparticle bonds or cages constraining translational or rotational motion. Yield stress has similar volume fraction dependence as G 0' and a similar framework is used to understand differences due to particle shape and interaction. For larger particles, the effects of shape and interaction are studied with respect to dynamic yielding and shear thickening. The dynamic yield stress is found to increase with volume fraction while the stress at thickening is constant. The intersection of these indicates a possible jamming point below φRCP.

Zwitterionic 4-bromo-6-meth-oxy-2-{[tris-(hy-droxy-meth-yl)methyl]-iminiumyl-meth-yl}phenolate: crystal structure and Hirshfeld surface analysis.

PubMed

Lee, See Mun; Lo, Kong Mun; Tan, Sang Loon; Tiekink, Edward R T

2016-08-01

In the solid state, the title compound, C12H16BrNO5 [systematic name: 4-bromo-2-((1E)-{[1,3-dihy-droxy-2-(hy-droxy-meth-yl)propan-2-yl]iminium-yl}meth-yl)-6-meth-oxy-benzen-1-olate], C12H16BrNO5, is found in the keto-amine tautomeric form, with an intra-molecular iminium-N-H⋯O(phenolate) hydrogen bond and an E conformation about the C=N bond. Both gauche (two) and anti relationships are found for the methyl-hydroxy groups. In the crystal, a supra-molecular layer in the bc plane is formed via hy-droxy-O-H⋯O(hy-droxy) and charge-assisted hy-droxy-O-H⋯O(phenolate) hydrogen-bonding inter-actions; various C-H⋯O inter-actions provide additional cohesion to the layers, which stack along the a axis with no directional inter-actions between them. A Hirshfeld surface analysis confirms the lack of specific inter-actions in the inter-layer region.

Visualization of Projectile Flying at High Speed in Dusty Atmosphere

NASA Astrophysics Data System (ADS)

Masaki, Chihiro; Watanabe, Yasumasa; Suzuki, Kojiro

2017-10-01

Considering a spacecraft that encounters particle-laden environment, such as dust particles flying up over the regolith by the jet of the landing thruster, high-speed flight of a projectile in such environment was experimentally simulated by using the ballistic range. At high-speed collision of particles on the projectile surface, they may be reflected with cracking into smaller pieces. On the other hand, the projectile surface will be damaged by the collision. To obtain the fundamental characteristics of such complicated phenomena, a projectile was launched at the velocity up to 400 m/s and the collective behaviour of particles around projectile was observed by the high-speed camera. To eliminate the effect of the gas-particle interaction and to focus on only the effect of the interaction between the particles and the projectile's surface, the test chamber pressure was evacuated down to 30 Pa. The particles about 400μm diameter were scattered and formed a sheet of particles in the test chamber by using two-dimensional funnel with a narrow slit. The projectile was launched into the particle sheet in the tangential direction, and the high-speed camera captured both projectile and particle motions. From the movie, the interaction between the projectile and particle sheet was clarified.

Particle-laden swirling free jets: Measurements and predictions

NASA Technical Reports Server (NTRS)

Bulzan, D. L.; Shuen, J.-S.; Faeth, G. M.

1987-01-01

A theoretical and experimental investigation of single-phase and particle-laden weakly swirling jets was conducted. The jets were injected vertically downward from a 19 mm diameter tube with swirl numbers ranging from 0 to 0.33. The particle-laden jets had a single loading ratio (0.2) with particles having a SMD of 39 microns. Mean and fluctuating properties of both phases were measured using nonintrusive laser based methods while particle mass flux was measured using an isokinetic sampling probe. The continuous phase was analyzed using both a baseline kappa-epsilon turbulence model and an extended version with modifications based on the flux Richardson number to account for effects of streamline curvature. To highlight effects of interphase transport rates and particle/turbulence interactions, effects of the particles were analyzed as follows: (1) locally homogeneous flow (LHF) analysis, where interphase transport rates are assumed to be infinitely fast; (2) deterministic separated flow (DSF) analysis, where finite interphase transport rates are considered but particle/turbulence interactions are ignored; and (3) stochastic separated flow (SSF) analysis, where both effects are considered using random-walk computations.

Interrelation of soft and hard X-ray emissions during solar flares. II - Simulation model

NASA Technical Reports Server (NTRS)

Winglee, R. M.; Dulk, G. A.; Bornmann, P. L.; Brown, J. C.

1991-01-01

Two-dimensional electrostatic particle simulations are presented which incorporate the effect of quasi-static electric fields on particle dynamics as well as effects associated with wave-particle interactions induced by the accelerated particles. The properties of the soft and hard X-ray and microwave emissions from such systems are examined. In particular, it is shown that acceleration by quasi-static electric fields and heating via wave-particle interactions produces electron distributions with a broken-power law, similar to those inferred from hard X-ray spectra. Also, heating of the ambient plasma gives rise to a region of hot plasma propagating down to the chromosphere at about the ion sound speed.

Elasticity-induced force reversal between active spinning particles in dense passive media

PubMed Central

Aragones, J. L.; Steimel, J. P.; Alexander-Katz, A.

2016-01-01

The self-organization of active particles is governed by their dynamic effective interactions. Such interactions are controlled by the medium in which such active agents reside. Here we study the interactions between active agents in a dense non-active medium. Our system consists of actuated, spinning, active particles embedded in a dense monolayer of passive, or non-active, particles. We demonstrate that the presence of the passive monolayer alters markedly the properties of the system and results in a reversal of the forces between active spinning particles from repulsive to attractive. The origin of such reversal is due to the coupling between the active stresses and elasticity of the system. This discovery provides a mechanism for the interaction between active agents in complex and structured media, opening up opportunities to tune the interaction range and directionality via the mechanical properties of the medium. PMID:27112961

Influence of light absorption on relativistic self-focusing of Gaussian laser beam in cold quantum plasma

NASA Astrophysics Data System (ADS)

Patil, S. D.; Valkunde, A. T.; Vhanmore, B. D.; Urunkar, T. U.; Gavade, K. M.; Takale, M. V.

2018-05-01

When inter particle distance is comparable to the de Broglies wavelength of charged particles, quantum effects in plasmas are unavoidable. We have exploited an influence of light absorption on self-focusing of Gaussian laser beam in cold quantum plasma by considering relativistic nonlinearity. Nonlinear differential equation governing beam-width parameter has been established by using parabolic equation approach under paraxial and WKB approximations. The effect of light absorption on variation of beam-width parameter with dimensionless distance of propagation is presented graphically and discussed. It is found that light absorption plays vital role in weakening the relativistic self-focusing of laser beam during propagation in cold quantum plasma and gives reasonably interesting results.

On the high fidelity simulation of chemical explosions and their interaction with solid particle clouds

NASA Astrophysics Data System (ADS)

Balakrishnan, Kaushik

The flow field behind chemical explosions in multiphase environments is investigated using a robust, state-of-the-art simulation strategy that accounts for the thermodynamics, gas dynamics and fluid mechanics of relevance to the problem. Focus is laid on the investigation of blast wave propagation, growth of hydrodynamic instabilities behind explosive blasts, the mixing aspects behind explosions, the effects of afterburn and its quantification, and the role played by solid particles in these phenomena. In particular, the confluence and interplay of these different physical phenomena are explored from a fundamental perspective, and applied to the problem of chemical explosions. A solid phase solver suited for the study of high-speed, two-phase flows has been developed and validated. This solver accounts for the inter-phase mass, momentum and energy transfer through empirical laws, and ensures two-way coupling between the two phases, viz. solid particles and gas. For dense flow fields, i.e., when the solid volume fraction becomes non-negligible (˜60%), the finite volume method with a Godunov type shock-capturing scheme requires modifications to account for volume fraction gradients during the computation of cell interface gas fluxes. To this end, the simulation methodology is extended with the formulation of an Eulerian gas, Lagrangian solid approach, thereby ensuring that the so developed two-phase simulation strategy can be applied for both flow conditions, dilute and dense alike. Moreover, under dense loading conditions the solid particles inevitably collide, which is accounted for in the current research effort with the use of an empirical collision/contact model from literature. Furthermore, the post-detonation flow field consists of gases under extreme temperature and pressure conditions, necessitating the use of real gas equations of state in the multiphase model. This overall simulation strategy is then extended to the investigation of chemical explosions in multiphase environments, with emphasis on the study of hydrodynamic instability growth, mixing, afterburn effects ensuing from the process, particle ignition and combustion (if reactive), dispersion, and their interaction with the vortices in the mixing layer. The post-detonation behavior of heterogeneous explosives is addressed by using three parts to the investigation. In the first part, only one-dimensional effects are considered, with the goal to assess the presently developed dense two-phase formulation. The total deliverable impulsive loading from heterogeneous explosive charges containing inert steel particles is estimated for a suite of operating parameters and compared, and it is demonstrated that heterogeneous explosive charges deliver a higher near-field impulse than homogeneous explosive charges containing the same mass of the high explosive. In the second part, three-dimensional effects such as hydrodynamic instabilities are accounted for, with the focus on characterizing the mixing layer ensuing from the detonation of heterogeneous explosive charges containing inert steel particles. It is shown that particles introduce significant amounts of hydrodynamic instabilities in the mixing layer, resulting in additional physical phenomena that play a prominent role in the flow features. In particular, the fluctuation intensities, fireball size and growth rates are augmented for heterogeneous explosions vis-a-vis homogeneous explosions, thereby demonstrating that solid particles enhance the perturbation intensities in the flow. In the third part of the investigation of heterogeneous explosions, dense, aluminized explosions are considered, and the particles are observed to burn in two phases, with an initial quenching due to the rarefaction wave, and a final quenching outside the fireball. Due to faster response time scales, smaller particles are observed to heat and accelerate more during early times, and also cool and decelerate more at late times, compared to counterpart larger particle sizes. Furthermore, the average particle velocities at late times are observed to be independent of the initial solid volume fraction in the explosive charge, as the particles eventually reach an equilibrium with the local gas. These studies have provided some crucial insights to the flow physics of dense, aluminized explosives. (Abstract shortened by UMI.)

Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors

NASA Astrophysics Data System (ADS)

Huang, Mu-Jie; Schofield, Jeremy; Kapral, Raymond

2017-12-01

Collective motion in nonequilibrium steady state suspensions of self-propelled Janus motors driven by chemical reactions can arise due to interactions coming from direct intermolecular forces, hydrodynamic flow effects, or chemotactic effects mediated by chemical gradients. The relative importance of these interactions depends on the reactive characteristics of the motors, the way in which the system is maintained in a steady state, and properties of the suspension, such as the volume fraction. From simulations of a microscopic hard collision model for the interaction of fluid particles with the Janus motor we show that dynamic cluster states exist and determine the interaction mechanisms that are responsible for their formation. The relative importance of chemotactic and hydrodynamic effects is identified by considering a microscopic model in which chemotactic effects are turned off while the full hydrodynamic interactions are retained. The system is maintained in a steady state by means of a bulk reaction in which product particles are reconverted into fuel particles. The influence of the bulk reaction rate on the collective dynamics is also studied.

Fluidization and drying of biomass particles in a vibrating fluidized bed with pulsed gas flow

DOE PAGES

Jia, Dening; Cathary, Océane; Peng, Jianghong; ...

2015-10-01

Fluidization of biomass particles in the absence of inert bed materials has been tested in a pulsed fluidized bed with vibration, with the pulsation frequency ranging from 033 to 6.67 Hz. Intermittent fluidization at 033 Hz and apparently 'normal' fluidization at 6.67 Hz with regular bubble patterns were observed. Pulsation has proven to be effective in overcoming the bridging of irregular biomass particles induced by strong inter-particle forces. The vibration is only effective when the pulsation is inadequate, either at too low a frequency or too low in amplitude. We dried biomass in order to quantify the effectiveness of gasmore » pulsation for fluidized bed dryers and torrefiers in terms of gas-solid contact efficiency and heat and mass transfer rates. Furthermore, the effects of gas flow rate, bed temperature, pulsation frequency and vibration intensity on drying performance have been systematically investigated. While higher temperature and gas flow rate are favored in drying, there exists an optimal range of pulsation frequency between 0.75 Hz and 1.5 Hz where gas-solid contact is enhanced in both the constant rate drying and falling rate drying periods.« less

The effects of particle loading on turbulence structure and modelling

NASA Technical Reports Server (NTRS)

Squires, Kyle D.; Eaton, J. K.

1989-01-01

The objective of the present research was to extend the Direct Numerical Simulation (DNS) approach to particle-laden turbulent flows using a simple model of particle/flow interaction. The program addressed the simplest type of flow, homogeneous, isotropic turbulence, and examined interactions between the particles and gas phase turbulence. The specific range of problems examined include those in which the particle is much smaller than the smallest length scales of the turbulence yet heavy enough to slip relative to the flow. The particle mass loading is large enough to have a significant impact on the turbulence, while the volume loading was small enough such that particle-particle interactions could be neglected. Therefore, these simulations are relevant to practical problems involving small, dense particles conveyed by turbulent gas flows at moderate loadings. A sample of the results illustrating modifications of the particle concentration field caused by the turbulence structure is presented and attenuation of turbulence by the particle cloud is also illustrated.

Electrohydrodynamic interactions of spherical particles under Quincke rotation

NASA Astrophysics Data System (ADS)

Das, Debasish; Saintillan, David

2012-11-01

Quincke rotation denotes the spontaneous rotation of dielectric particles immersed in a slightly dielectric liquid when subjected to a high enough DC electric field. It occurs when the charge relaxation time of the particles is greater than that of the fluid medium, causing the particles to become polarized in a direction opposite to that of the electric field and therefore giving rise to an unstable equilibrium position. When slightly perturbed, the particles start to rotate, and if the electric field exceeds a critical value the perturbations do not decay and the particle rotations reach a steady state with a constant angular velocity. We use a combination of numerical simulations and asymptotic theory to study the effect of electrohydrodynamic interactions between particles under Quincke rotation. We study the prototypical case of two equally charged spheres carrying no net charge and interacting with each other both hydrodynamically and electrically. The case of spherical particles free to roll on a horizontal grounded electrode is also described. We show that Quincke rotation results in self-propulsion of the particles in the plane of the electrode, and interactions between a pair of such ``rollers'' are analyzed.

Particle Trapping Mechanisms Are Different in Spatially Ordered and Disordered Interacting Gels.

PubMed

Hansing, Johann; Netz, Roland R

2018-06-05

Using stochastic simulations, we study the influence of spatial disorder on the diffusion of a single particle through a gel that consists of rigid, straight fibers. The interaction between the particle and the gel fibers consists of an invariant short-range repulsion, the steric part, and an interaction part that can be attractive or repulsive and of varying range. The effect that spatial disorder of the gel structure has on the particle diffusivity depends crucially on the presence of nonsteric interactions. For attractive interactions, disorder slows down diffusion, because in disordered gels, the particle becomes strongly trapped in regions of locally increased fiber density. For repulsive interactions, the diffusivity is minimal for intermediate disorder strength, because highly disordered lattices exhibit abundant passageways of locally low fiber density. The comparison with experimental data on protein and fluorophore diffusion through various hydrogels is favorable. Our findings shed light on particle-diffusion mechanisms in biogels and thus on biological barrier properties, which can be helpful for the optimal design of synthetic diffusors as well as synthetic mucus constructs. Copyright © 2018 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Computations of Lifshitz-van der Waals interaction energies between irregular particles and surfaces at all separations for resuspension modelling

NASA Astrophysics Data System (ADS)

Priye, Aashish; Marlow, William H.

2013-10-01

The phenomenon of particle resuspension plays a vital role in numerous fields. Among many aspects of particle resuspension dynamics, a dominant concern is the accurate description and formulation of the van der Waals (vdW) interactions between the particle and substrate. Current models treat adhesion by incorporating a material-dependent Hamaker's constant which relies on the heuristic Hamaker's two-body interactions. However, this assumption of pairwise summation of interaction energies can lead to significant errors in condensed matter as it does not take into account the many-body interaction and retardation effects. To address these issues, an approach based on Lifshitz continuum theory of vdW interactions has been developed to calculate the principal many-body interactions between arbitrary geometries at all separation distances to a high degree of accuracy through Lifshitz's theory. We have applied this numerical implementation to calculate the many-body vdW interactions between spherical particles and surfaces with sinusoidally varying roughness profile and also to non-spherical particles (cubes, cylinders, tetrahedron etc) orientated differently with respect to the surface. Our calculations revealed that increasing the surface roughness amplitude decreases the adhesion force and non-spherical particles adhere to the surfaces more strongly when their flatter sides are oriented towards the surface. Such practical shapes and structures of particle-surface systems have not been previously considered in resuspension models and this rigorous treatment of vdW interactions provides more realistic adhesion forces between the particle and the surface which can then be coupled with computational fluid dynamics models to improve the predictive capabilities of particle resuspension dynamics.

Numerical investigation of the dynamics of Janus magnetic particles in a rotating magnetic field

NASA Astrophysics Data System (ADS)

Kim, Hui Eun; Kim, Kyoungbeom; Ma, Tae Yeong; Kang, Tae Gon

2017-02-01

We investigated the rotational dynamics of Janus magnetic particles suspended in a viscous liquid, in the presence of an externally applied rotating magnetic field. A previously developed two-dimensional direct simulation method, based on the finite element method and a fictitious domain method, is employed to solve the magnetic particulate flow. As for the magnetic problem, the two Maxwell equations are converted to a differential equation using the magnetic potential. The magnetic forces acting on the particles are treated by a Maxwell stress tensor formulation, enabling us to consider the magnetic interactions among the particles without any approximation. The dynamics of a single particle in the rotating field is studied to elucidate the effect of the Mason number and the magnetic susceptibility on the particle motions. Then, we extended our interest to a two-particle problem, focusing on the effect of the initial configuration of the particles on the particle motions. In three-particle interaction problems, the particle dynamics and the fluid flow induced by the particle motions are significantly affected by the particle configuration and the orientation of each particle.

On the strong influence of molecular interactions over large distances

NASA Astrophysics Data System (ADS)

Pfennig, Andreas

2018-03-01

Molecular-dynamics simulations of liquid water show deterministic chaos, i.e. an intentionally introduced molecular position shift of an individual molecule increases exponentially by a factor of 10 in 0.23 ps. This is a Lyaponov instability. As soon as it reaches molecular scale, the direction of the resulting shift in molecular motions is unpredictable. The influence of any individual distant particle on an observed molecule will be minute, but the effect will quickly increase to molecular scale and beyond due to this exponential growth. Consequently, any individual particle in the universe will affect the behavior of any molecule within at most 33 ps after the interaction reaches it. A larger distance of the faraway particle does not decrease the influence on an observed molecule, but the effect reaches molecular scale only some ps later. Thus in evaluating the interactions, nearby and faraway molecules have to be equally accounted for. The consequences of this quickly reacting network of interactions on universal scale are fundamental. Even in a strictly deterministic view, molecular behavior is principally unpredictable, and thus has to be regarded random. Corresponding statements apply for any particles interacting. This result leads to a fundamental rethinking of the structure of interactions of molecules and particles as well as the behavior of reality.

Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

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

Escobedo, Fernando A., E-mail: fe13@cornell.edu

The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward themore » target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.« less

Magnetic Dinner Salads: The Role of Biogenic Magnetite in Cryopreservation for Common Food Plants

NASA Astrophysics Data System (ADS)

Chaffee, T. M.; Kirschvink, J. L.; Kobayashi, A. K.

2015-12-01

Biogenically-precipitated magnetite has been found in organisms ranging from Bacteria, single-celled protists, and many of the animal phyla, where its major function is navigation and magnetoreception. To date there is but a single report of biogenic magnetite in plants (essentially, magnetoferritin), and that is in common grass (Festuca species, from Gajdardziska-Josifovska et. al. doi:10.1127/0935-1221/2001/0013/0863). Recent developments in cryopreservation suggest that ~ 1 mT, ~ 10 Hz oscillating magnetic fields can drastically reduce ice nucleation during freezing, promote supercooling, and minimize cellular damage in living tissues (e.g., Kaku et al., doi: 10.1016/j.cryobiol.2012.02.001). Kobayashi & Kirschvink (2014, doi:10.1016/j.cryobiol.2013.12.002) suggest that biogenic magnetite crystals could be the nucleating site for damaging ice crystals, and that they would be driven magneto-mechanically to rotate in those oscillating fields which could inhibit the ice crystal nucleation process. This prompted our investigation into the magnetite content of ordinary fruit and vegetable food products, as knowledge of the natural levels of biogenic magnetite in the human food supply could guide the selection of which foods might work for this type of cryopreservation. Our study involved a range of common foods including avocados, bananas, garlic, and apples. Samples were prepared in a clean lab environment kept free of contaminant particles, and subjected to a variety of standard rock-magnetic tests including IRM and ARM acquisition, and the corresponding Af demagnetization, on a standard 2G™ SRM. Results are consistent with moderately interacting single-domain magnetite (see figure), with moderate inter-particle interaction effects. Typical magnetite concentrations in these samples are in the range of .1 to 1 ng/g for room temperature samples, increasing to the range of 1-10 ng/g when measured frozen (to inhibit thermal rotation of small particles and clumps). If these are distributed as fine, single-domain particles they would constitute the largest mineral surface area in the tissues, (aside from amorphous silica phytoliths), and are therefore likely the site of ice crystal nucleation.

Electrostatically confined nanoparticle interactions and dynamics.

PubMed

Eichmann, Shannon L; Anekal, Samartha G; Bevan, Michael A

2008-02-05

We report integrated evanescent wave and video microscopy measurements of three-dimensional trajectories of 50, 100, and 250 nm gold nanoparticles electrostatically confined between parallel planar glass surfaces separated by 350 and 600 nm silica colloid spacers. Equilibrium analyses of single and ensemble particle height distributions normal to the confining walls produce net electrostatic potentials in excellent agreement with theoretical predictions. Dynamic analyses indicate lateral particle diffusion coefficients approximately 30-50% smaller than expected from predictions including the effects of the equilibrium particle distribution within the gap and multibody hydrodynamic interactions with the confining walls. Consistent analyses of equilibrium and dynamic information in each measurement do not indicate any roles for particle heating or hydrodynamic slip at the particle or wall surfaces, which would both increase diffusivities. Instead, lower than expected diffusivities are speculated to arise from electroviscous effects enhanced by the relative extent (kappaa approximately 1-3) and overlap (kappah approximately 2-4) of electrostatic double layers on the particle and wall surfaces. These results demonstrate direct, quantitative measurements and a consistent interpretation of metal nanoparticle electrostatic interactions and dynamics in a confined geometry, which provides a basis for future similar measurements involving other colloidal forces and specific biomolecular interactions.

Resistance to densification, tensile strength and capsule-filling performance of some pharmaceutical diluents.

PubMed

Nikolakakis, I; Aragon, O B; Malamataris, S

1998-07-01

The purpose of this study was to compare some indicators of capsule-filling performance, as measured by tapped density under different conditions, and elucidate possible quantitative relationships between variation of capsule fill-weight (%CV) and gravitational and inter-particle forces (attractive or frictional) derived from measurements of particle size, true density, low compression and tensile strength. Five common pharmaceutical diluents (lactose, maize starch, talc, Emcocel and Avicel) were investigated and two capsule-filling methods (pouring powder and dosator nozzle) were employed. It was found that for the pouring-type method the appropriateness of Hausner's ratio (HR), Carr's compressibility index (CC%) and Kawakita's constant (alpha) as indicators of capsule fill-weight variation decreases in the order alpha > CC% > HR; the appropriateness of these indicators also decreases with increasing cylinder size and with impact velocity during tapping. For the dosator-type method the appropriateness of the indicators decreases in the order HR > CC% > alpha, the opposite of that for the pouring-type method; the appropriateness of the indicators increases with decreasing cylinder size and impact velocity. The relationship between %CV and the ratio of inter-particle attractive to gravitational forces calculated from measurements of particle size and true density (Fvdw/Wp) was more significant for the pouring-type capsule-filling method. For the dosator-type method a significant relationship (1% level) was found between %CV and the product of Fvdw/Wp and a function expressing the increase, with packing density (p(f)), in the ratio of frictional to attractive inter-particle forces derived from compression (P) and tensile-strength (T) testing, d(log(P/T))/d(p(f)). The value of tapped density in predictions of capsule-filling performance is affected by the testing conditions in a manner depending on the filling method applied. For the pouring-type method predictions can be based on the ratio of attractive (inter-particle) to gravitational forces, whereas for the dosator-type method the contribution of frictional and attractive forces should, because of packing density change, also be taken into account.

The charged particle veto system of the cosmic ray electron synchrotron telescope

NASA Astrophysics Data System (ADS)

Geske, Matthew T.

The Cosmic Ray Electron Synchrotron Telescope is a balloon-borne detector designed to measure cosmic electrons at energies from 2 to 50 TeV. CREST completed a successful 10-day Antarctic flight which launched on December 25, 2011. CREST utilizes a novel detection method, searching for the synchrotron radiation emitted by the interaction of TeV-energy electrons with the geomagnetic field. The main detector component for CREST is a 32 x 32 square array of BaF 2 crystal detectors coupled to photomultiplier tubes, with an inter-crystal spacing of 7.5 cm. This document describes the design, construction and flight of the CREST experiment. A special focus is put upon the charged particle veto system, and its use in the analysis of the CREST results. The veto system, consisting of a series of 27 large slabs of organic plastic scintillator read out through photomultiplier tubes, is designed as a passive mechanism for rejecting charged particle events that could contaminate the X-ray signal from synchrotron radiation. The CREST veto system has 99.15% geometric coverage, with individual detector components exhibiting a mean detection efficiency of 99.7%. In whole, the veto system provides a charged particle rejection factor of better than 7 x 103.

Scaling and modeling of turbulent suspension flows

NASA Technical Reports Server (NTRS)

Chen, C. P.

1989-01-01

Scaling factors determining various aspects of particle-fluid interactions and the development of physical models to predict gas-solid turbulent suspension flow fields are discussed based on two-fluid, continua formulation. The modes of particle-fluid interactions are discussed based on the length and time scale ratio, which depends on the properties of the particles and the characteristics of the flow turbulence. For particle size smaller than or comparable with the Kolmogorov length scale and concentration low enough for neglecting direct particle-particle interaction, scaling rules can be established in various parameter ranges. The various particle-fluid interactions give rise to additional mechanisms which affect the fluid mechanics of the conveying gas phase. These extra mechanisms are incorporated into a turbulence modeling method based on the scaling rules. A multiple-scale two-phase turbulence model is developed, which gives reasonable predictions for dilute suspension flow. Much work still needs to be done to account for the poly-dispersed effects and the extension to dense suspension flows.

α-Pinene secondary organic aerosol at low temperature: chemical composition and implications for particle viscosity

NASA Astrophysics Data System (ADS)

Huang, Wei; Saathoff, Harald; Pajunoja, Aki; Shen, Xiaoli; Naumann, Karl-Heinz; Wagner, Robert; Virtanen, Annele; Leisner, Thomas; Mohr, Claudia

2018-02-01

Chemical composition, size distributions, and degree of oligomerization of secondary organic aerosol (SOA) from α-pinene (C10H16) ozonolysis were investigated for low-temperature conditions (223 K). Two types of experiments were performed using two simulation chambers at the Karlsruhe Institute of Technology: the Aerosol Preparation and Characterization (APC) chamber, and the Aerosol Interaction and Dynamics in the Atmosphere (AIDA) chamber. Experiment type 1 simulated SOA formation at upper tropospheric conditions: SOA was generated in the AIDA chamber directly at 223 K at 61 % relative humidity (RH; experiment termed cold humid, CH) and for comparison at 6 % RH (experiment termed cold dry, CD) conditions. Experiment type 2 simulated SOA uplifting: SOA was formed in the APC chamber at room temperature (296 K) and < 1 % RH (experiment termed warm dry, WD) or 21 % RH (experiment termed warm humid, WH) conditions, and then partially transferred to the AIDA chamber kept at 223 K, and 61 % RH (WDtoCH) or 30 % RH (WHtoCH), respectively. Precursor concentrations varied between 0.7 and 2.2 ppm α-pinene, and between 2.3 and 1.8 ppm ozone for type 1 and type 2 experiments, respectively. Among other instrumentation, a chemical ionization mass spectrometer (CIMS) coupled to a filter inlet for gases and aerosols (FIGAERO), deploying I- as reagent ion, was used for SOA chemical composition analysis. For type 1 experiments with lower α-pinene concentrations and cold SOA formation temperature (223 K), smaller particles of 100-300 nm vacuum aerodynamic diameter (dva) and higher mass fractions (> 40 %) of adducts (molecules with more than 10 carbon atoms) of α-pinene oxidation products were observed. For type 2 experiments with higher α-pinene concentrations and warm SOA formation temperature (296 K), larger particles ( ˜ 500 nm dva) with smaller mass fractions of adducts (< 35 %) were produced. We also observed differences (up to 20 °C) in maximum desorption temperature (Tmax) of individual compounds desorbing from the particles deposited on the FIGAERO Teflon filter for different experiments, indicating that Tmax is not purely a function of a compound's vapor pressure or volatility, but is also influenced by diffusion limitations within the particles (particle viscosity), interactions between particles deposited on the filter (particle matrix), and/or particle mass on the filter. Highest Tmax were observed for SOA under dry conditions and with higher adduct mass fraction; lowest Tmax were observed for SOA under humid conditions and with lower adduct mass fraction. The observations indicate that particle viscosity may be influenced by intra- and inter-molecular hydrogen bonding between oligomers, and particle water uptake, even under such low-temperature conditions. Our results suggest that particle physicochemical properties such as viscosity and oligomer content mutually influence each other, and that variation in Tmax of particle desorptions may have implications for particle viscosity and particle matrix effects. The differences in particle physicochemical properties observed between our different experiments demonstrate the importance of taking experimental conditions into consideration when interpreting data from laboratory studies or using them as input in climate models.

Calcium-Phosphate-Osteopontin Particles Reduce Biofilm Formation and pH Drops in in situ Grown Dental Biofilms.

PubMed

Schlafer, Sebastian; Ibsen, Casper J S; Birkedal, Henrik; Nyvad, Bente

2017-01-01

This 2-period crossover study investigated the effect of calcium-phosphate-osteopontin particles on biofilm formation and pH in 48-h biofilms grown in situ. Bovine milk osteopontin is a highly phosphorylated glycoprotein that has been shown to interfere with bacterial adhesion to salivary-coated surfaces. Calcium-phosphate-osteopontin particles have been shown to reduce biofilm formation and pH drops in a 5-species laboratory model of dental biofilm without affecting bacterial viability. Here, smooth surface biofilms from 10 individuals were treated ex vivo 6 times/day for 30 min with either calcium-phosphate-osteopontin particles or sterile saline. After growth, the amount of biofilm formed was determined by confocal microscopy, and pH drops upon exposure to glucose were monitored using confocal-microscopy-based pH ratiometry. A total of 160 biofilms were analysed. No adverse effects of repeated ex vivo treatment with calcium-phosphate-osteopontin particles were observed. Particle treatment resulted in a 32% lower amount of biofilm formed (p < 0.05), but large inter-individual differences could be observed. Biofilm pH was significantly higher upon particle treatment, both shortly after the addition of glucose and after 30 min of incubation with glucose (p < 0.05). Calcium-phosphate-osteopontin particles may represent a new therapeutic approach to caries control and aim at directly targeting virulence factors involved in the caries process. Further studies are required to determine the effect of particle treatment on more acidogenic/aciduric biofilms as well as the remineralizing potential of the particles. © 2016 S. Karger AG, Basel.

Crystal structure of (2E)-3-[4-(di-methyl-amino)-phen-yl]-1-(thio-phen-2-yl)prop-2-en-1-one.

PubMed

de Oliveira, Gabriela Porto; Bresolin, Leandro; Flores, Darlene Correia; de Farias, Renan Lira; de Oliveira, Adriano Bof

2017-04-01

The equimolar reaction between 4-(di-methyl-amino)-benzaldehyde and 2-acetyl-thio-phene in basic ethano-lic solution yields the title compound, C 15 H 15 NOS, whose mol-ecular structure matches the asymmetric unit. The mol-ecule is not planar, the dihedral angle between the aromatic and the thio-phene rings being 11.4 (2)°. In the crystal, mol-ecules are linked by C-H⋯O and weak C-H⋯S inter-actions along [100], forming R 2 2 (8) rings, and by weak C-H⋯O inter-actions along [010], forming chains with a C (6) graph-set motif. In addition, mol-ecules are connected into centrosymmetric dimers by weak C-H⋯π inter-actions, as indicated by the Hirshfeld surface analysis. The most important contributions for the crystal structure are the H⋯H (46.50%) and H⋯C (23.40%) inter-actions. The crystal packing resembles a herringbone arrangement when viewed along [100]. A mol-ecular docking calculation of the title compound with the neuraminidase enzyme was carried out. The enzyme shows ( ASN263 )N-H⋯O, ( PRO245 )C-H⋯ Cg (thio-phene ring) and ( AGR287 )C-H⋯N inter-molecular inter-actions with the title compound. The crystal structure was refined as a two-component twin with a fractional contribution to the minor domain of 0.0181 (8).

Building Effective Collaboration in a Comprehensive Approach (Etablissement d’une collaboration efficace selon une approche globale)

DTIC Science & Technology

2017-11-01

Improvement on this Construct Table Table 3-1 Inter-Agency Maturity Levels 3-3 Table 5-1 High -Low Scores for the Inter-Team Cooperation...Factors 5-4 Table 5-2 High -Low Scores for the Individual Interaction Format Items 5-4 Table 5-3 Number of Military and Civilian Respondents by Civil...a wilful dismissal of the capabilities of other entities, which can lead to an escalation of tensions within the CA collective. As a consequence, it

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations

PubMed Central

Del Bello, Elisabetta; Taddeucci, Jacopo; de’ Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-01

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕp) ranging 10−7-10−3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕp ~ 10−3. Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕp. Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕp. These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters. PMID:28045056

Effect of particle volume fraction on the settling velocity of volcanic ash particles: insights from joint experimental and numerical simulations.

PubMed

Del Bello, Elisabetta; Taddeucci, Jacopo; De' Michieli Vitturi, Mattia; Scarlato, Piergiorgio; Andronico, Daniele; Scollo, Simona; Kueppers, Ulrich; Ricci, Tullio

2017-01-03

Most of the current ash transport and dispersion models neglect particle-fluid (two-way) and particle-fluid plus particle-particle (four-way) reciprocal interactions during particle fallout from volcanic plumes. These interactions, a function of particle concentration in the plume, could play an important role, explaining, for example, discrepancies between observed and modelled ash deposits. Aiming at a more accurate prediction of volcanic ash dispersal and sedimentation, the settling of ash particles at particle volume fractions (ϕ p ) ranging 10 -7 -10 -3 was performed in laboratory experiments and reproduced by numerical simulations that take into account first the two-way and then the four-way coupling. Results show that the velocity of particles settling together can exceed the velocity of particles settling individually by up to 4 times for ϕ p  ~ 10 -3 . Comparisons between experimental and simulation results reveal that, during the sedimentation process, the settling velocity is largely enhanced by particle-fluid interactions but partly hindered by particle-particle interactions with increasing ϕ p . Combining the experimental and numerical results, we provide an empirical model allowing correction of the settling velocity of particles of any size, density, and shape, as a function of ϕ p . These corrections will impact volcanic plume modelling results as well as remote sensing retrieval techniques for plume parameters.

Ab initio density functional theory investigation of structural and electronic properties of silicon carbide nanotube bundles

NASA Astrophysics Data System (ADS)

Moradian, Rostam; Behzad, Somayeh; Chegel, Raad

2008-10-01

By using ab initio density functional theory the structural and electronic properties of isolated and bundled (8,0) and (6,6) silicon carbide nanotubes (SiCNTs) are investigated. Our results show that for such small diameter nanotubes the inter-tube interaction causes a very small radial deformation, while band splitting and reduction of the semiconducting energy band gap are significant. We compared the equilibrium interaction energy and inter-tube separation distance of (8,0) SiCNT bundle with (10,0) carbon nanotube (CNT) bundle where they have the same radius. We found that there is a larger inter-tube separation and weaker inter-tube interaction in the (8,0) SiCNT bundle with respect to (10,0) CNT bundle, although they have the same radius.

Significance of Nanoparticles and the Role of Amino Acids in Structuring Them-A Review.

PubMed

Kulandaisamy, Arockia Jayalatha; Rayappan, John Bosco Balaguru

2018-08-01

Nanoparticles has occupied an eminent place in our tech-facilitated society. The processes involved in synthesizing nanoparticles are important not only to find their applications, but also to make them eco-friendly. Attempts are being made to replace the use of harmful surfactants/reagents by amino acids, in the due course of nanoparticle synthesis. Especially in synthesizing the multifunctional metal and metal oxide nanoparticles the use of amino acids as surfactant/as catalyst, helps to obtain required size and shape. Amino acids have the inherent property in directing and assembling the superstructures. They have the tendency to act as a capping agent and their presence during the synthesis processes alters the synthesized particles' morphology. Review has been made to study the role of amino acids like histidine, lysine, arginine in structuring ZnO, FeO, Au and Ag nanoparticles. The change in their morphology that resulted due to the addition of amino acids has been compared. It is important to understand the role of amino acids in synthesizing the nanoparticles, and so it is more important to understand the internal energy variation of the same. To achieve this, the interaction between the bio (amino acids) and non-bio (metal and metal oxide) nanoparticles are to be discussed both experimentally and theoretically. At times the theoretical characterization, especially at low dimensions, help us to understand inter-particle interaction and intra-particle interaction by determining their chemical potential and Lennard-Jones potential. This review has been concluded with a model to characterize the precursor solution (amino acids and inorganic materials) by considering the Equation of State for liquids, which could also be extended to determine the structure factor of nanoparticles.

Entrainment and scattering in microswimmer-colloid interactions

NASA Astrophysics Data System (ADS)

Shum, Henry; Yeomans, Julia M.

2017-11-01

We use boundary element simulations to study the interaction of model microswimmers with a neutrally buoyant spherical particle. The ratio of the size of the particle to that of the swimmer is varied from RP/RS≪1 , corresponding to swimmer-tracer scattering, to RP/RS≫1 , approximately equivalent to the swimmer interacting with a fixed, flat surface. We find that details of the swimmer and particle trajectories vary for different swimmers. However, the overall characteristics of the scattering event fall into two regimes, depending on the relative magnitudes of the impact parameter, ρ , and the collision radius, Rcoll=RP+RS . The range of particle motion, defined as the maximum distance between two points on the trajectory, has only a weak dependence on the impact parameter when ρ Rcoll the range decreases as a power law in ρ and is insensitive to the size of the particle. We also demonstrate that large particles can cause swimmers to be deflected through large angles. In some instances, this swimmer deflection can lead to larger net displacements of the particle. Based on these results, we estimate the effective diffusivity of a particle in a dilute bath of swimmers and show that there is a nonmonotonic dependence on particle radius. Similarly, we show that the effective diffusivity of a swimmer scattering in a suspension of particles varies nonmonotonically with particle radius.

The effect of thermomechanical processing on second phase particle redistribution in U-10 wt%Mo

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

Hu, Xiaohua; Wang, Xiaowo; Joshi, Vineet V.

2018-03-01

The multi-pass hot-rolling process of an annealed uranium-10 wt% molybdenum coupon was studied by plane-strain compression finite element modeling. Two point correlation function (2PCF) was used to analyze the carbide particle distribution after each rolling reduction. The hot rolling simulation results show that the alignment of UC particles along grain boundaries will rotate during rolling until it is parallel to the rolling direction, to form stringer-like distributions which are typically observed in rolled products that contain inclusions. 2PCF analysis of simulation shows that the interparticle spacing shrinks along the normal direction. The number of major peaks of 2PCF along NDmore » decreases after large reduction. The locations of major peaks indicate the inter-stringer distances.« less

Numerical Analysis of the Effect of Particle Shape and Adhesion on the Segregation of Powder Mixtures

NASA Astrophysics Data System (ADS)

Alizadeh Behjani, Mohammadreza; Hassanpour, Ali; Ghadiri, Mojtaba; Bayly, Andrew

2017-06-01

Segregation of granules is an undesired phenomenon in which particles in a mixture separate from each other based on the differences in their physical and chemical properties. It is, therefore, crucial to control the homogeneity of the system by applying appropriate techniques. This requires a fundamental understanding of the underlying mechanisms. In this study, the effect of particle shape and cohesion has been analysed. As a model system prone to segregation, a ternary mixture of particles representing the common ingredients of home washing powders, namely, spray dried detergent powders, tetraacetylethylenediamine, and enzyme placebo (as the minor ingredient) during heap formation is modelled numerically by the Discrete Element Method (DEM) with an aim to investigate the effect of cohesion/adhesion of the minor components on segregation quality. Non-spherical particle shapes are created in DEM using the clumped-sphere method based on their X-ray tomograms. Experimentally, inter particle adhesion is generated by coating the minor ingredient (enzyme placebo) with Polyethylene Glycol 400 (PEG 400). The JKR theory is used to model the cohesion/adhesion of coated enzyme placebo particles in the simulation. Tests are carried out experimentally and simulated numerically by mixing the placebo particles (uncoated and coated) with the other ingredients and pouring them in a test box. The simulation and experimental results are compared qualitatively and quantitatively. It is found that coating the minor ingredient in the mixture reduces segregation significantly while the change in flowability of the system is negligible.

A Deep-Structured Conditional Random Field Model for Object Silhouette Tracking

PubMed Central

Shafiee, Mohammad Javad; Azimifar, Zohreh; Wong, Alexander

2015-01-01

In this work, we introduce a deep-structured conditional random field (DS-CRF) model for the purpose of state-based object silhouette tracking. The proposed DS-CRF model consists of a series of state layers, where each state layer spatially characterizes the object silhouette at a particular point in time. The interactions between adjacent state layers are established by inter-layer connectivity dynamically determined based on inter-frame optical flow. By incorporate both spatial and temporal context in a dynamic fashion within such a deep-structured probabilistic graphical model, the proposed DS-CRF model allows us to develop a framework that can accurately and efficiently track object silhouettes that can change greatly over time, as well as under different situations such as occlusion and multiple targets within the scene. Experiment results using video surveillance datasets containing different scenarios such as occlusion and multiple targets showed that the proposed DS-CRF approach provides strong object silhouette tracking performance when compared to baseline methods such as mean-shift tracking, as well as state-of-the-art methods such as context tracking and boosted particle filtering. PMID:26313943

The SCOPE mission

NASA Astrophysics Data System (ADS)

Fujimoto, Masaki

In order to open the new horizon of research in the Plasma Universe, SCOPE will perform simultaneous multi-scale observations that enables data-based study on the key space plasma processes from the cross-scale coupling point of view. The key processes to be studied are magnetic reconnection under various boundary conditions, shocks in space plasma, collisionless plasma mixing at the boundaries, and physics of current sheets embedded in complex magnetic geometries. The orbit is equatorial, 10x25 Re, such that in-situ observations of the above key processes are possible. The SCOPE mission is made up of a pair of mother-daughter spacecraft and a three spacecraft formation. The spacecraft pair will zoom-in to the microphysics while the spacecraft formation will observe macro-scale dynamics surrouding the key region to be studied by the mother-daughter pair. The mother spacecraft is equipped with a full suite of particle detector including ultra-high sampling cycle electron detector. The daughter spacecraft remains near ( 10km) the mother spacecraft and the spacecraft-pair will focus on wave-particle interaction utilizing inter-spacecraft communication. The inter-spacecraft distance of the for-mation varies from below 100km to above 3000km so that surrounding dynamics at various scales (electron, ion and MHD) can be studied. While the core part of the mission is planned to be a CSA-JAXA (Canada-Japan) collaboration, further international collaborations to en-hance the science return of the mission are welcome.

Some physicochemical aspects of water-soluble mineral flotation.

PubMed

Wu, Zhijian; Wang, Xuming; Liu, Haining; Zhang, Huifang; Miller, Jan D

2016-09-01

Some physicochemical aspects of water-soluble mineral flotation including hydration phenomena, associations and interactions between collectors, air bubbles, and water-soluble mineral particles are presented. Flotation carried out in saturated salt solutions, and a wide range of collector concentrations for effective flotation of different salts are two basic aspects of water-soluble mineral flotation. Hydration of salt ions, mineral particle surfaces, collector molecules or ions, and collector aggregates play an important role in water-soluble mineral flotation. The adsorption of collectors onto bubble surfaces is suggested to be the precondition for the association of mineral particles with bubbles. The association of collectors with water-soluble minerals is a complicated process, which may include the adsorption of collector molecules or ions onto such surfaces, and/or the attachment of collector precipitates or crystals onto the mineral surfaces. The interactions between the collectors and the minerals include electrostatic and hydrophobic interactions, hydrogen bonding, and specific interactions, with electrostatic and hydrophobic interactions being the common mechanisms. For the association of ionic collectors with minerals with an opposite charge, electrostatic and hydrophobic interactions could have a synergistic effect, with the hydrophobic interactions between the hydrophobic groups of the previously associated collectors and the hydrophobic groups of oncoming collectors being an important attractive force. Association between solid particles and air bubbles is the key to froth flotation, which is affected by hydrophobicity of the mineral particle surfaces, surface charges of mineral particles and bubbles, mineral particle size and shape, temperature, bubble size, etc. The use of a collector together with a frother and the use of mixed surfactants as collectors are suggested to improve flotation. Copyright © 2016 Elsevier B.V. All rights reserved.

Surface charge accumulation of particles containing radionuclides in open air

DOE PAGES

Kim, Yong-ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. But, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. Moreover, a charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify themore » particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. Our study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes.« less

Effects of particle mixing and scattering in the dusty gas flow through moving and stationary cascades of airfoils

NASA Astrophysics Data System (ADS)

Tsirkunov, Yu. M.; Romanyuk, D. A.; Panfilov, S. V.

2011-10-01

Time-dependent two-dimensional (2D) flow of dusty gas through a set of two cascades of airfoils (blades) has been studied numerically. The first cascade was assumed to move (rotor) and the second one to be immovable (stator). Such a flow can be considered, in some sense, as a flow in the inlet stage of a turbomachine, for example, in the inlet compressor of an aircraft turbojet engine. Dust particle concentration was assumed to be very low, so that the interparticle collisions and the effect of the dispersed phase on the carrier gas were negligible. Flow of the carrier gas was described by full Navier-Stokes equations. In calculations of particle motion, the particles were considered as solid spheres. The particle drag force, transverse Magnus force, and damping torque were taken into account in the model of gas-particle interaction. The impact interaction of particles with blades was considered as frictional and partly elastic. The effects of particle size distribution and particle scattering in the course of particle-blade collisions were investigated. Flow fields of the carrier gas and flow patterns of the particle phase were obtained and discussed.

Micromechanics-based magneto-elastic constitutive modeling of particulate composites

NASA Astrophysics Data System (ADS)

Yin, Huiming

Modified Green's functions are derived for three situations: a magnetic field caused by a local magnetization, a displacement field caused by a local body force and a displacement field caused by a local prescribed eigenstrain. Based on these functions, an explicit solution is derived for two magnetic particles embedded in the infinite medium under external magnetic and mechanical loading. A general solution for numerable magnetic particles embedded in an infinite domain is then provided in integral form. Two-phase composites containing spherical magnetic particles of the same size are considered for three kinds of microstructures. With chain-structured composites, particle interactions in the same chain are considered and a transversely isotropic effective elasticity is obtained. For periodic composites, an eight-particle interaction model is developed and provides a cubic symmetric effective elasticity. In the random composite, pair-wise particle interactions are integrated from all possible positions and an isotropic effective property is reached. This method is further extended to functionally graded composites. Magneto-mechanical behavior is studied for the chain-structured composite and the random composite. Effective magnetic permeability, effective magnetostriction and field-dependent effective elasticity are investigated. It is seen that the chain-structured composite is more sensitive to the magnetic field than the random composite; a composite consisting of only 5% of chain-structured particles can provide a larger magnetostriction and a larger change of effective elasticity than an equivalent composite consisting of 30% of random dispersed particles. Moreover, the effective shear modulus of the chain-structured composite rapidly increases with the magnetic field, while that for the random composite decreases. An effective hyperelastic constitutive model is further developed for a magnetostrictive particle-filled elastomer, which is sampled by using a network of body-centered cubic lattices of particles connected by macromolecular chains. The proposed hyperelastic model is able to characterize overall nonlinear elastic stress-stretch relations of the composites under general three-dimensional loading. It is seen that the effective strain energy density is proportional to the length of stretched chains in unit volume and volume fraction of particles.

Comparison of the Effects of Wave-Particle Interactions and the Kinetic Suprathermal Electron Population on the Acceleration of the Solar Wind

NASA Technical Reports Server (NTRS)

Tam, S. W. Y.; Chang, T.

2002-01-01

Kinetic effects due to wave-particle interactions and suprathermal electrons have been suggested in the literature as possible solar wind acceleration mechanisms. Ion cyclotron resonant heating, in particular, has been associated with some qualitative features observed in the solar wind. In terms of solar wind acceleration, however, it is interesting to compare the kinetic effects of suprathermal electrons with those due to the wave-particle interactions. The combined effects of the two acceleration mechanisms on the fast solar wind have been studied by Tam and Chang (1999a,b). In this study. we investigate the role of the suprathermal electron population in the acceleration of the solar wind. Our model follows the global kinetic evolution of the fast solar wind under the influence of ion cyclotron resonant heating, while taking into account Coulomb collisions, and the ambipolar electric field that is consistent with the particle distributions themselves. The kinetic effects due to the suprathermal electrons, which we define to be the tail of the electron distributions, can be included in the model as an option. By comparing the results with and without the inclusion of the suprathermal electron effects, we determine the relative importance of suprathermal electrons and wave-particle interactions in driving the solar wind. We find that although suprathermal electrons enhance the ambipolar electric potential in the solar wind considerably, their overall influence as an acceleration mechanism is relatively insignificant in a wave-driven solar wind.

Aggregation Pattern Transitions by Slightly Varying the Attractive/Repulsive Function

PubMed Central

Cheng, Zhao; Zhang, Hai-Tao; Chen, Michael Z. Q.; Zhou, Tao; Valeyev, Najl V.

2011-01-01

Among collective behaviors of biological swarms and flocks, the attractive/repulsive (A/R) functional links between particles play an important role. By slightly changing the cutoff distance of the A/R function, a drastic transition between two distinct aggregation patterns is observed. More precisely, a large cutoff distance yields a liquid-like aggregation pattern where the particle density decreases monotonously from the inside to the outwards within each aggregated cluster. Conversely, a small cutoff distance produces a crystal-like aggregation pattern where the distance between each pair of neighboring particles remains constant. Significantly, there is an obvious spinodal in the variance curve of the inter-particle distances along the increasing cutoff distances, implying a legible transition pattern between the liquid-like and crystal-like aggregations. This work bridges the aggregation phenomena of physical particles and swarming of organisms in nature upon revealing some common mechanism behind them by slightly varying their inter-individual attractive/repulsive functions, and may find its potential engineering applications, for example, in the formation design of multi-robot systems and unmanned aerial vehicles (UAVs). PMID:21799776

Predicting Impact of Biochar Addition on Soil Hydraulic Properties

NASA Astrophysics Data System (ADS)

Nakhli, S. A. A.; Yudi, Y.; Imhoff, P. T.

2017-12-01

Biochar has been proposed as a soil amendment to improve soil hydraulic properties, including water retention and saturated and unsaturated hydraulic conductivity, for agricultural and environmental applications. However, its effect on hydraulic properties is difficult to predict and often with mixed results: in some cases biochar enhances soil hydraulic properties, while in other cases it degrades them. Despite several published observational studies, there are no models that can reliably predict biochar's impact on soil hydraulic properties. In this project we developed models to describe the effect of addition of a commercial wood biochar pyrolyzed at 550° on soil hydraulic properties in laboratory-scale experiments. The effects of biochar addition at 2% and 6% (w/w) on water retention and saturated and unsaturated hydraulic conductivity were evaluated for silt loam, sandy loam, and loamy sand. The addition of 6% (w/w) biochar increased the available water content of silt loam, sandy loam and loamy sand by 25, 20 and 70%, respectively. The impact of biochar addition on water retention was predicted reasonably well using information on the intra particle pore volume of biochar (mercury porosimetry, N2 and CO2 sorption) and the particle size distribution of the soil/biochar mixture. When amended with 6% biochar, saturated hydraulic conductivity increased 17% for loamy sand, but decreased 30% and 54% for silt loam and sandy loam, respectively. The Kozeny-Carman equation modified to account for changes in inter pore volume predicted saturated hydraulic conductivities of the biochar-amended soils reasonably well, with RMSE ranging from 0.06 to 5.06 cm h-1 for silt loam and loamy sand, respectively. While intra particle pore volume of biochar contributed significantly to higher water retention, changes in hydraulic conductivity were correlated instead with changes in inter pore volume - the large pores between biochar and soil particles.

Particle transport and deposition: basic physics of particle kinetics

PubMed Central

Tsuda, Akira; Henry, Frank S.; Butler, James P.

2015-01-01

The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. Whereas the particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drug. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this chapter. A large portion of this chapter deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: 1) the physical characteristics of particles, 2) particle behavior in gas flow, and 3) gas flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The chapter concludes with a summary and a brief discussion of areas of future research. PMID:24265235

InterEvDock: a docking server to predict the structure of protein–protein interactions using evolutionary information

PubMed Central

Yu, Jinchao; Vavrusa, Marek; Andreani, Jessica; Rey, Julien; Tufféry, Pierre; Guerois, Raphaël

2016-01-01

The structural modeling of protein–protein interactions is key in understanding how cell machineries cross-talk with each other. Molecular docking simulations provide efficient means to explore how two unbound protein structures interact. InterEvDock is a server for protein docking based on a free rigid-body docking strategy. A systematic rigid-body docking search is performed using the FRODOCK program and the resulting models are re-scored with InterEvScore and SOAP-PP statistical potentials. The InterEvScore potential was specifically designed to integrate co-evolutionary information in the docking process. InterEvDock server is thus particularly well suited in case homologous sequences are available for both binding partners. The server returns 10 structures of the most likely consensus models together with 10 predicted residues most likely involved in the interface. In 91% of all complexes tested in the benchmark, at least one residue out of the 10 predicted is involved in the interface, providing useful guidelines for mutagenesis. InterEvDock is able to identify a correct model among the top10 models for 49% of the rigid-body cases with evolutionary information, making it a unique and efficient tool to explore structural interactomes under an evolutionary perspective. The InterEvDock web interface is available at http://bioserv.rpbs.univ-paris-diderot.fr/services/InterEvDock/. PMID:27131368

Interaction between genes and macronutrient intake on the risk of developing type 2 diabetes: systematic review and findings from European Prospective Investigation into Cancer (EPIC)-InterAct.

PubMed

Li, Sherly X; Imamura, Fumiaki; Ye, Zheng; Schulze, Matthias B; Zheng, Jusheng; Ardanaz, Eva; Arriola, Larraitz; Boeing, Heiner; Dow, Courtney; Fagherazzi, Guy; Franks, Paul W; Agudo, Antonio; Grioni, Sara; Kaaks, Rudolf; Katzke, Verena A; Key, Timothy J; Khaw, Kay Tee; Mancini, Francesca R; Navarro, Carmen; Nilsson, Peter M; Onland-Moret, N Charlotte; Overvad, Kim; Palli, Domenico; Panico, Salvatore; Quirós, J Ramón; Rolandsson, Olov; Sacerdote, Carlotta; Sánchez, María-José; Slimani, Nadia; Sluijs, Ivonne; Spijkerman, Annemieke Mw; Tjonneland, Anne; Tumino, Rosario; Sharp, Stephen J; Riboli, Elio; Langenberg, Claudia; Scott, Robert A; Forouhi, Nita G; Wareham, Nicholas J

2017-07-01

Background: Gene-diet interactions have been reported to contribute to the development of type 2 diabetes (T2D). However, to our knowledge, few examples have been consistently replicated to date. Objective: We aimed to identify existing evidence for gene-macronutrient interactions and T2D and to examine the reported interactions in a large-scale study. Design: We systematically reviewed studies reporting gene-macronutrient interactions and T2D. We searched the MEDLINE, Human Genome Epidemiology Network, and WHO International Clinical Trials Registry Platform electronic databases to identify studies published up to October 2015. Eligibility criteria included assessment of macronutrient quantity (e.g., total carbohydrate) or indicators of quality (e.g., dietary fiber) by use of self-report or objective biomarkers of intake. Interactions identified in the review were subsequently examined in the EPIC (European Prospective Investigation into Cancer)-InterAct case-cohort study ( n = 21,148, with 9403 T2D cases; 8 European countries). Prentice-weighted Cox regression was used to estimate country-specific HRs, 95% CIs, and P -interaction values, which were then pooled by random-effects meta-analysis. A primary model was fitted by using the same covariates as reported in the published studies, and a second model adjusted for additional covariates and estimated the effects of isocaloric macronutrient substitution. Results: Thirteen observational studies met the eligibility criteria ( n < 1700 cases). Eight unique interactions were reported to be significant between macronutrients [carbohydrate, fat, saturated fat, dietary fiber, and glycemic load derived from self-report of dietary intake and circulating n-3 (ω-3) polyunsaturated fatty acids] and genetic variants in or near transcription factor 7-like 2 ( TCF7L2 ), gastric inhibitory polypeptide receptor ( GIPR ), caveolin 2 ( CAV2 ), and peptidase D ( PEPD ) ( P -interaction < 0.05). We found no evidence of interaction when we tried to replicate previously reported interactions. In addition, no interactions were detected in models with additional covariates. Conclusions: Eight gene-macronutrient interactions were identified for the risk of T2D from the literature. These interactions were not replicated in the EPIC-InterAct study, which mirrored the analyses undertaken in the original reports. Our findings highlight the importance of independent replication of reported interactions.

Modeling shear-induced particle ordering and deformation in a dense soft particle suspension

NASA Astrophysics Data System (ADS)

Liao, Chih-Tang; Wu, Yi-Fan; Chien, Wei; Huang, Jung-Ren; Chen, Yeng-Long

2017-11-01

We apply the lattice Boltzmann method and the bead-spring network model of deformable particles (DPs) to study shear-induced particle ordering and deformation and the corresponding rheological behavior for dense DP suspensions confined in a narrow gap under steady external shear. The particle configuration is characterized with small-angle scattering intensity, the real-space 2D local order parameter, and the particle shape factors including deformation, stretching and tilt angles. We investigate how particle ordering and deformation vary with the particle volume fraction ϕ (=0.45-0.65) and the external shear rate characterized with the capillary number Ca (=0.003-0.191). The degree of particle deformation increases mildly with ϕ but significantly with Ca. Under moderate shear rate (Ca  =  0.105), the inter-particle structure evolves from string-like ordering to layered hexagonal close packing (HCP) as ϕ increases. A long wavelength particle slithering motion emerges for sufficiently large ϕ. For ϕ  =  0.61, the structure maintains layered HCP for Ca  =  0.031-0.143 but gradually becomes disordered for larger and smaller Ca. The correlation in particle zigzag movements depends sensitively on ϕ and particle ordering. Layer-by-layer analysis reveals how the non-slippery hard walls affect particle ordering and deformation. The shear-induced reconfiguration of DPs observed in the simulation agrees qualitatively with experimental results of sheared uniform emulsions. The apparent suspension viscosity increases with ϕ but exhibits much weaker dependence compared to hard-sphere suspensions, indicating that particle deformation and unjamming under shear can significantly reduce the viscous stress. Furthermore, the suspension shear-thins, corresponding to increased inter-DP ordering and particle deformation with Ca. This work provides useful insights into the microstructure-rheology relationship of concentrated deformable particle suspensions.

Modeling shear-induced particle ordering and deformation in a dense soft particle suspension.

PubMed

Liao, Chih-Tang; Wu, Yi-Fan; Chien, Wei; Huang, Jung-Ren; Chen, Yeng-Long

2017-11-01

We apply the lattice Boltzmann method and the bead-spring network model of deformable particles (DPs) to study shear-induced particle ordering and deformation and the corresponding rheological behavior for dense DP suspensions confined in a narrow gap under steady external shear. The particle configuration is characterized with small-angle scattering intensity, the real-space 2D local order parameter, and the particle shape factors including deformation, stretching and tilt angles. We investigate how particle ordering and deformation vary with the particle volume fraction ϕ (=0.45-0.65) and the external shear rate characterized with the capillary number Ca (=0.003-0.191). The degree of particle deformation increases mildly with ϕ but significantly with Ca. Under moderate shear rate (Ca  =  0.105), the inter-particle structure evolves from string-like ordering to layered hexagonal close packing (HCP) as ϕ increases. A long wavelength particle slithering motion emerges for sufficiently large ϕ. For ϕ  =  0.61, the structure maintains layered HCP for Ca  =  0.031-0.143 but gradually becomes disordered for larger and smaller Ca. The correlation in particle zigzag movements depends sensitively on ϕ and particle ordering. Layer-by-layer analysis reveals how the non-slippery hard walls affect particle ordering and deformation. The shear-induced reconfiguration of DPs observed in the simulation agrees qualitatively with experimental results of sheared uniform emulsions. The apparent suspension viscosity increases with ϕ but exhibits much weaker dependence compared to hard-sphere suspensions, indicating that particle deformation and unjamming under shear can significantly reduce the viscous stress. Furthermore, the suspension shear-thins, corresponding to increased inter-DP ordering and particle deformation with Ca. This work provides useful insights into the microstructure-rheology relationship of concentrated deformable particle suspensions.

Nonlinear force dependence on optically bound micro-particle arrays in the evanescent fields of fundamental and higher order microfibre modes

PubMed Central

Maimaiti, Aili; Holzmann, Daniela; Truong, Viet Giang; Ritsch, Helmut; Nic Chormaic, Síle

2016-01-01

Particles trapped in the evanescent field of an ultrathin optical fibre interact over very long distances via multiple scattering of the fibre-guided fields. In ultrathin fibres that support higher order modes, these interactions are stronger and exhibit qualitatively new behaviour due to the coupling of different fibre modes, which have different propagation wave-vectors, by the particles. Here, we study one dimensional longitudinal optical binding interactions of chains of 3 μm polystyrene spheres under the influence of the evanescent fields of a two-mode microfibre. The observation of long-range interactions, self-ordering and speed variation of particle chains reveals strong optical binding effects between the particles that can be modelled well by a tritter scattering-matrix approach. The optical forces, optical binding interactions and the velocity of bounded particle chains are calculated using this method. Results show good agreement with finite element numerical simulations. Experimental data and theoretical analysis show that higher order modes in a microfibre offer a promising method to not only obtain stable, multiple particle trapping or faster particle propulsion speeds, but that they also allow for better control over each individual trapped object in particle ensembles near the microfibre surface. PMID:27451935

Recent trends in ultra-fast HPLC: new generation superficially porous silica columns.

PubMed

Ali, Imran; Al-Othman, Zeid A; Nagae, Norikaju; Gaitonde, Vinay D; Dutta, Kamlesh K

2012-12-01

New generation columns, i.e. packed with superficially porous silica particles are available as trade names with following manufacturers: Halo, Ascentis Express, Proshell 120, Kinetex, Accucore, Sunshell, and Nucleoshell. These provide ultra-fast HPLC separations for a variety of compounds with moderate sample loading capacity and low back pressure. Chemistries of these columns are C(8), C(18), RP-Amide, hydrophilic interaction liquid chromatography, penta fluorophenyl (PFP), F5, and RP-aqua. Normally, the silica gel particles are of 2.7 and 1.7 μm as total and inner solid core diameters, respectively, with 0.5-μm-thick of outer porous layer having 90 Å pore sizes and 150 m(2)/g surface area. This article describes these new generation columns with special emphasis on their textures and chemistries, separations, optimization, and comparison (inter and intra stationary phases). Besides, future perspectives have also been discussed. © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electrostatic and hydrodynamics effects in a sedimented magnetorheological suspension.

PubMed

Domínguez-García, P; Pastor, J M; Melle, Sonia; Rubio, Miguel A

2009-08-01

We present experimental results on the equilibrium microstructure of a sedimented magnetorheological suspension, namely, an aqueous suspension of micron-sized superparamagnetic particles. We develop a study of the electrical interactions on the suspension by processing video-microscopy images of the sedimented particles. We calculate the pair distribution function, g(r), which yields the electrostatic pair potential u(r), showing an anomalous attractive interaction for distances on the order of twice the particle diameter, with characteristic parameters whose values show a dependence with the two-dimensional concentration of particles. The repulsive body of the potential is adjusted to a DLVO expression in order to calculate the Debye screening length and the effective surface charge density. Influence of confinement and variations on the Boltzmann sedimentation profile because of the electrostatic interactions appear to be essential for the interpretation of experimental results.

International Cancer of the Head and Neck, Genetics and Environment (InterCHANGE) Study

ClinicalTrials.gov

2013-10-29

Evaluate the Association Between Certain Environmental Exposures (e.g. Cigarette Smoking, Alcohol Drinking, Betel Nut Chewing…) and Head and Neck Cancers; Assess the Effect of Genetic Factors, Including Both SNP and Copy Number Variation (CNV) Through Analysis of Both Main Effect and Gene-gene Interaction

Physical Investigations of Small Particles: (I) Aerosol Particle Charging and Flux Enhancement and (II) Whispering Gallery Mode Sensing

NASA Astrophysics Data System (ADS)

Lopez-Yglesias, Xerxes

Part I: Particles are a key feature of planetary atmospheres. On Earth they represent the greatest source of uncertainty in the global energy budget. This uncertainty can be addressed by making more measurement, by improving the theoretical analysis of measurements, and by better modeling basic particle nucleation and initial particle growth within an atmosphere. This work will focus on the latter two methods of improvement. Uncertainty in measurements is largely due to particle charging. Accurate descriptions of particle charging are challenging because one deals with particles in a gas as opposed to a vacuum, so different length scales come into play. Previous studies have considered the effects of transition between the continuum and kinetic regime and the effects of two and three body interactions within the kinetic regime. These studies, however, use questionable assumptions about the charging process which resulted in skewed observations, and bias in the proposed dynamics of aerosol particles. These assumptions affect both the ions and particles in the system. Ions are assumed to be point monopoles that have a single characteristic speed rather than follow a distribution. Particles are assumed to be perfect conductors that have up to five elementary charges on them. The effects of three body interaction, ion-molecule-particle, are also overestimated. By revising this theory so that the basic physical attributes of both ions and particles and their interactions are better represented, we are able to make more accurate predictions of particle charging in both the kinetic and continuum regimes. The same revised theory that was used above to model ion charging can also be applied to the flux of neutral vapor phase molecules to a particle or initial cluster. Using these results we can model the vapor flux to a neutral or charged particle due to diffusion and electromagnetic interactions. In many classical theories currently applied to these models, the finite size of the molecule and the electromagnetic interaction between the molecule and particle, especially for the neutral particle case, are completely ignored, or, as is often the case for a permanent dipole vapor species, strongly underestimated. Comparing our model to these classical models we determine an "enhancement factor" to characterize how important the addition of these physical parameters and processes is to the understanding of particle nucleation and growth. Part II: Whispering gallery mode (WGM) optical biosensors are capable of extraordinarily sensitive specific and non-specific detection of species suspended in a gas or fluid. Recent experimental results suggest that these devices may attain single-molecule sensitivity to protein solutions in the form of stepwise shifts in their resonance wavelength, lambdaR, but present sensor models predict much smaller steps than were reported. This study examines the physical interaction between a WGM sensor and a molecule adsorbed to its surface, exploring assumptions made in previous efforts to model WGM sensor behavior, and describing computational schemes that model the experiments for which single protein sensitivity was reported. The resulting model is used to simulate sensor performance, within constraints imposed by the limited material property data. On this basis, we conclude that nonlinear optical effects would be needed to attain the reported sensitivity, and that, in the experiments for which extreme sensitivity was reported, a bound protein experiences optical energy fluxes too high for such effects to be ignored.

Interactive vs. Non-Interactive Ensembles for Weather Prediction and Climate Projection

NASA Astrophysics Data System (ADS)

Duane, Gregory

2013-04-01

If the members of an ensemble of different models are allowed to interact with one another in run time, predictive skill can be improved as compared to that of any individual model or any average of indvidual model outputs. Inter-model connections in such an interactive ensemble can be trained, using historical data, so that the resulting ``supermodel" synchronizes with reality when used in weather-prediction mode, where the individual models perform data assimilation from each other (with trainable inter-model "observation error") as well as from real observations. In climate-projection mode, parameters of the individual models are changed, as might occur from an increase in GHG levels, and one obtains relevant statistical properties of the new supermodel attractor. In simple cases, it has been shown that training of the inter-model connections with the old parameter values gives a supermodel that is still predictive when the parameter values are changed. Here we inquire as to the circumstances under which supermodel performance can be expected to exceed that of the customary weighted average of model outputs. We consider a supermodel formed from quasigeostrophic channel models with different forcing coefficients, and introduce an effective training scheme for the inter-model connections. We show that the blocked-zonal index cycle is reproduced better by the supermodel than by any non-interactive ensemble in the extreme case where the forcing coefficients of the different models are very large or very small. With realistic differences in forcing coefficients, as would be representative of actual differences among IPCC-class models, the usual linearity assumption is justified and a weighted average of model outputs is adequate. It is therefore hypothesized that supermodeling is likely to be useful in situations where there are qualitative model differences, as arising from sub-gridscale parameterizations, that affect overall model behavior. Otherwise the usual ex post facto averaging will probably suffice. Previous results from an ENSO-prediction supermodel [Kirtman et al.] are re-examined in light of the hypothesis about the importance of qualitative inter-model differences.

Radiation effects in accelerator components

NASA Astrophysics Data System (ADS)

Borden, M. J.

1995-05-01

A review of basic radiation effects is presented. The fundamental definitions of radioactivity are given for alpha, beta, positron decay, gamma-ray emission and electron capture. The interaction of neutrons with material is covered including: absorption through radiative capture, neutron-proton interaction, alpha particle emission, neutron-multi-neutron reactions and fission. Basic equations defining inelastic and elastic scattering are presented with examples of neutron energy loss per collision for several elements. Photon interactions are considered for gamma-rays and x-rays. Photoelectric collisions, the Compton effect and pair production are reviewed. Electron-proton interactions are discussed with emphasis placed on defect production. Basic displacement damage mechanisms for photon and particle interaction are presented. Several examples of radiation effects to plastics, electronics and ceramics are presented. Extended references are given for each example.

Mixing by Unstirring: Hyperuniform Dispersion of Interacting Particles upon Chaotic Advection

NASA Astrophysics Data System (ADS)

Weijs, Joost H.; Bartolo, Denis

2017-07-01

We show how to achieve both fast and hyperuniform dispersions of particles in viscous fluids. To do so, we first extend the concept of critical random organization to chaotic drives. We show how palindromic sequences of chaotic advection cause microscopic particles to effectively interact at long range, thereby inhibiting critical self-organization. Based on this understanding we go around this limitation and design sequences of stirring and unstirring which simultaneously optimize the speed of particle spreading and the homogeneity of the resulting dispersions.

Progress in the Analysis of Complex Atmospheric Particles

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

Laskin, Alexander; Gilles, Mary K.; Knopf, Daniel A.

2016-06-16

This manuscript presents an overview on recent advances in field and laboratory studies of atmospheric particles formed in processes of environmental air-surfaces interactions. The overarching goal of these studies is to advance predictive understanding of atmospheric particle composition, particle chemistry during aging, and their environmental impacts. The diversity between chemical constituents and lateral heterogeneity within individual particles adds to the chemical complexity of particles and their surfaces. Once emitted, particles undergo transformation via atmospheric aging processes that further modify their complex composition. We highlight a range of modern analytical approaches that enable multi-modal chemical characterization of particles with both molecularmore » and lateral specificity. When combined, they provide a comprehensive arsenal of tools for understanding the nature of particles at air-surface interactions and their reactivity and transformations with atmospheric aging. We discuss applications of these novel approaches in recent studies and highlight additional research areas to explore environmental effects of air-surface interactions.« less

Progress in the analysis of complex atmospheric particles

DOE PAGES

Laskin, Alexander; Gilles, Mary K.; Knopf, Daniel A.; ...

2016-06-01

This study presents an overview of recent advances in field and laboratory studies of atmospheric particles formed in processes of environmental air-surface interactions. The overarching goal of these studies is to advance predictive understanding of atmospheric particle composition, particle chemistry during aging, and their environmental impacts. The diversity between chemical constituents and lateral heterogeneity within individual particles adds to the chemical complexity of particles and their surfaces. Once emitted, particles undergo transformation via atmospheric aging processes that further modify their complex composition. We highlight a range of modern analytical approaches that enable multimodal chemical characterization of particles with both molecularmore » and lateral specificity. When combined, these approaches provide a comprehensive arsenal of tools for understanding the nature of particles at air-surface interactions and their reactivity and transformations with atmospheric aging. We discuss applications of these novel approaches in recent studies and highlight additional research areas to explore the environmental effects of air-surface interactions.« less

Inter-varietal interactions among plants in genotypically diverse mixtures tend to decrease herbivore performance.

PubMed

Grettenberger, Ian M; Tooker, John F

2016-09-01

Much research has explored the effects of plant species diversity on herbivore populations, but far less has considered effects of plant genotypic diversity, or how abiotic stressors, like drought, can modify effects. Mechanisms by which plant genotypic diversity affects herbivore populations remain largely unresolved. We used greenhouse studies with a model system of wheat (Triticum aestivum L.) and bird cherry-oat aphid (Rhopalosiphum padi L.) to determine whether the genotypic diversity of a plant's neighborhood influences performance and fitness of herbivores on a focal plant and if drought changes the influence of neighborhood diversity. Taken across all varieties we tested, plant-plant interactions in diverse neighborhoods reduced aphid performance and generated associational resistance, although effects on aphids depended on variety identity. In diverse mixtures, drought stress greatly diminished the genotypic diversity-driven reduction in aphid performance. Neighborhood diversity influenced mother aphid size, and appeared to partially explain how plant-plant interactions reduced the number of offspring produced in mixtures. Plant size did not mediate effects on aphid performance, although neighborhood diversity reduced plant mass across varieties and watering treatments. Our results suggest inter-varietal interactions in genotypic mixtures can affect herbivore performance in the absence of herbivore movement and that abiotic stress may diminish any effects. Accounting for how neighborhood diversity influences resistance of an individual plant to herbivores will help aid development of mixtures of varieties for managing insect pests and clarify the role of plant genotypic diversity in ecosystems.

Monte Carlo simulations of ionization potential depression in dense plasmas

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

Stransky, M., E-mail: stransky@fzu.cz

A particle-particle grand canonical Monte Carlo model with Coulomb pair potential interaction was used to simulate modification of ionization potentials by electrostatic microfields. The Barnes-Hut tree algorithm [J. Barnes and P. Hut, Nature 324, 446 (1986)] was used to speed up calculations of electric potential. Atomic levels were approximated to be independent of the microfields as was assumed in the original paper by Ecker and Kröll [Phys. Fluids 6, 62 (1963)]; however, the available levels were limited by the corresponding mean inter-particle distance. The code was tested on hydrogen and dense aluminum plasmas. The amount of depression was up tomore » 50% higher in the Debye-Hückel regime for hydrogen plasmas, in the high density limit, reasonable agreement was found with the Ecker-Kröll model for hydrogen plasmas and with the Stewart-Pyatt model [J. Stewart and K. Pyatt, Jr., Astrophys. J. 144, 1203 (1966)] for aluminum plasmas. Our 3D code is an improvement over the spherically symmetric simplifications of the Ecker-Kröll and Stewart-Pyatt models and is also not limited to high atomic numbers as is the underlying Thomas-Fermi model used in the Stewart-Pyatt model.« less

Controllable surface haptics via particle jamming and pneumatics.

PubMed

Stanley, Andrew A; Okamura, Allison M

2015-01-01

The combination of particle jamming and pneumatics allows the simultaneous control of shape and mechanical properties in a tactile display. A hollow silicone membrane is molded into an array of thin cells, each filled with coffee grounds such that adjusting the vacuum level in any individual cell rapidly switches it between flexible and rigid states. The array clamps over a pressure-regulated air chamber with internal mechanisms designed to pin the nodes between cells at any given height. Various sequences of cell vacuuming, node pinning, and chamber pressurization allow the surface to balloon into a variety of shapes. Experiments were performed to expand existing physical models of jamming at the inter-particle level to define the rheological characteristics of jammed systems from a macroscopic perspective, relevant to force-displacement interactions that would be experienced by human users. Force-displacement data show that a jammed cell in compression fits a Maxwell model and a cell deflected in the center while supported only at the edges fits a Zener model, each with stiffness and damping parameters that increase at higher levels of applied vacuum. This provides framework to tune and control the mechanical properties of a jamming haptic interface.

The second virial coefficient of bounded Mie potentials

NASA Astrophysics Data System (ADS)

Heyes, D. M.; Pereira de Vasconcelos, T.

2017-12-01

The second virial coefficient (SVC) of bounded generalizations of the Mie m:n potential ϕ (r ) =λ [1 /(aq+rq ) m /q-1 /(aq+rq ) n /q ] , where λ, a, q, m, and n are constants (a ≥ 0), is explored. The particle separation distance is r. This potential could be used as an effective interaction between polymeric dispersed colloidal particles of various degrees of interpenetrability. The SVC is negative for all temperatures for a, greater than a critical value, ac, which coincides with the range of a, where the system is thermodynamically unstable. The Boyle temperature and the temperature at which the SVC is a maximum diverge to +∞ as a → ac from below. Various series expansion expressions for the SVC are derived following on from those derived for the Mie potential itself (i.e., a = 0) in the study of Heyes et al. [J. Chem. Phys. 145, 084505 (2016)]. Formulas based on an expansion of the exponential in the Mayer function definition of the SVC are formally convergent, but pose numerical problems for the useful range of a < 1. High temperature expansion (HTE) formulas extending those in the previous publication are derived, which in contrast converge rapidly for the full a range. The HTE formulas derived in this work could be useful in guiding the choice of nucleation and growth experimental conditions for dispersed soft polymeric particles. Inter alia, the SVC of the inverse power special case of the Bounded Mie potential, i .e ., ϕ (r ) =1 /(aq+rq ) m /q, are also derived.

InterProSurf: a web server for predicting interacting sites on protein surfaces

PubMed Central

Negi, Surendra S.; Schein, Catherine H.; Oezguen, Numan; Power, Trevor D.; Braun, Werner

2009-01-01

Summary A new web server, InterProSurf, predicts interacting amino acid residues in proteins that are most likely to interact with other proteins, given the 3D structures of subunits of a protein complex. The prediction method is based on solvent accessible surface area of residues in the isolated subunits, a propensity scale for interface residues and a clustering algorithm to identify surface regions with residues of high interface propensities. Here we illustrate the application of InterProSurf to determine which areas of Bacillus anthracis toxins and measles virus hemagglutinin protein interact with their respective cell surface receptors. The computationally predicted regions overlap with those regions previously identified as interface regions by sequence analysis and mutagenesis experiments. PMID:17933856

Interactions of non-spherical particles in simple flows

NASA Astrophysics Data System (ADS)

Niazi, Mehdi; Brandt, Luca; Costa, Pedro; Breugem, Wim-Paul

2015-11-01

The behavior of particles in a flow affects the global transport and rheological properties of the mixture. In recent years much effort has been therefore devoted to the development of an efficient method for the direct numerical simulation (DNS) of the motion of spherical rigid particles immersed in an incompressible fluid. However, the literature on non-spherical particle suspensions is quite scarce despite the fact that these are more frequent. We develop a numerical algorithm to simulate finite-size spheroid particles in shear flows to gain new understanding of the flow of particle suspensions. In particular, we wish to understand the role of inertia and its effect on the flow behavior. For this purpose, DNS simulations with a direct-forcing immersed boundary method are used, with collision and lubrication models for particle-particle and particle-wall interactions. We will discuss pair interactions, relative motion and rotation, of two sedimenting spheroids and show that the interaction time increases significantly for non-spherical particles. More interestingly, we show that the particles are attracted to each other from larger lateral displacements. This has important implications for collision kernels. This work was supported by the European Research Council Grant No. ERC-2013-CoG-616186, TRITOS, and by the Swedish Research Council (VR).

C-reactive protein (CRP) and long-term air pollution with a focus on ultrafine particles.

PubMed

Pilz, Veronika; Wolf, Kathrin; Breitner, Susanne; Rückerl, Regina; Koenig, Wolfgang; Rathmann, Wolfgang; Cyrys, Josef; Peters, Annette; Schneider, Alexandra

2018-04-01

Long-term exposure to ambient air pollution contributes to the global burden of disease by particularly affecting cardiovascular (CV) causes of death. We investigated the association between particle number concentration (PNC), a marker for ultrafine particles, and other air pollutants and high sensitivity C-reactive protein (hs-CRP) as a potential link between air pollution and CV disease. We cross-sectionally analysed data from the second follow up (2013 and 2014) of the German KORA baseline survey which was conducted in 1999-2001. Residential long-term exposure to PNC and various other size fractions of particulate matter (PM 10 with size of <10 μm in aerodynamic diameter, PM coarse 2.5-10 μm or PM 2.5  < 2.5 μm, respectively), soot (PM 2.5 abs: absorbance of PM 2.5 ), nitrogen oxides (nitrogen dioxide NO 2 or oxides NO x , respectively) and ozone (O 3 ) were estimated by land-use regression models. Associations between annual air pollution concentrations and hs-CRP were modeled in 2252 participants using linear regression models adjusted for several confounders. Potential effect-modifiers were examined by interaction terms and two-pollutant models were calculated for pollutants with Spearman inter-correlation <0.70. Single pollutant models for PNC, PM 10 , PM coarse , PM 2.5 abs, NO 2 and NO x showed positive but non-significant associations with hs-CRP. For PNC, an interquartile range (2000 particles/cm 3 ) increase was associated with a 3.6% (95% CI: -0.9%, 8.3%) increase in hs-CRP. A null association was found for PM 2.5 . Effect estimates were higher for women, non-obese participants, for participants without diabetes and without a history of cardiovascular disease whereas ex-smokers showed lower estimates compared to smokers or non-smokers. For O 3 , the dose-response function suggested a non-linear relationship. In two-pollutant models, adjustment for PM 2.5 strengthened the effect estimates for PNC and PM 10 (6.3% increase per 2000 particles/cm 3 [95% CI: 0.4%; 12.5%] and 7.3% per 16.5 μg/m 3 [95% CI: 0.4%; 14.8%], respectively). This study adds to a scarce but growing body of literature showing associations between long-term exposure to ultrafine particles and hs-CRP, one of the most intensely studied blood biomarkers for cardiovascular health. Our results highlight the role of ultrafine particles within the complex mixture of ambient air pollution and their inflammatory potential. Copyright © 2018 Elsevier GmbH. All rights reserved.

Assembly of Reconfigurable Colloidal Structures by Multidirectional Field-Induced Interactions.

PubMed

Bharti, Bhuvnesh; Velev, Orlin D

2015-07-28

Field-directed colloidal assembly has shown remarkable recent progress in increasing the complexity, degree of control, and multiscale organization of the structures. This has largely been achieved by using particles of complex shapes and polarizabilites (Janus, patchy, shaped, and faceted). We review the fundamentals of the interactions leading to the directed assembly of such structures, the ways to simulate the dynamics of the process, and the effect of particle size, shape, and properties on the type of structure obtained. We discuss how directional polarization interactions induced by external electric and magnetic fields can be used to assemble complex particles or particle mixtures into lattices of tailored structure. Examples of such systems include isotropic and anisotropic shaped particles with surface patches, which form networks and crystals of unusual symmetry by dipolar, quadrupolar, and multipolar interactions in external fields. The emerging trends in making reconfigurable and dynamic structures are discussed.

Doubly-excited pulse-waves on flowing liquid films: experiments and numerical simulations

NASA Astrophysics Data System (ADS)

Adebayo, Idris; Xie, Zhihua; Che, Zhizhao; Wray, Alex; Matar, Omar

2016-11-01

The interaction patterns between doubly-excited pulse waves on a flowing liquid film are studied both experimentally and numerically. The flowing film is constituted on an inclined glass substrate while pulse-waves are excited on the film surface by means of a solenoid valve connected to a relay which receives signals from customised Matlab routines. The effect of varying the system parameters i.e. film flow rate, inter-pulse interval and substrate inclination angle on the pulse interaction patterns are then studied. Results show that different interaction patterns exist for these binary pulses; which include a singular behaviour, complete merger, partial merger and total non-coalescence. A regime map of these patterns is then plotted for each inclination angles examined, based on the film Re and the inter-pulse interval. Finally, the individual effect of the system parameters on the merging distance of these binary pulses in the merger mode is then studied and the results validated using both numerical simulations and mathematical modelling. Funding from the Nigerian Government (for Idris Adebayo), and the EPSRC through a programme Grant MEMPHIS (EP/K003976/1) gratefully acknowledged.

Curvature-induced capillary interaction of spherical particles at a liquid interface.

PubMed

Würger, Alois

2006-10-01

We consider a liquid interface with different principal curvatures +/-c and find that the mere presence of a spherical particle leads to a deformation field of quadrupolar symmetry; the corresponding "capillary quadrupole moment" is given by the ratio of the particle size and the curvature radius. The resulting pair interaction of nearby particles is anisotropic and favors the formation of aggregates of cubic symmetry. Since the single-particle trapping energy depends quadratically on curvature with a negative prefactor, a curvature gradient induces a lateral force that pushes the particles towards strongly curved regions of the interface. As an illustration we discuss the effects occurring on a catenoid.

Electric Double-Layer Interaction between Dissimilar Charge-Conserved Conducting Plates.

PubMed

Chan, Derek Y C

2015-09-15

Small metallic particles used in forming nanostructured to impart novel optical, catalytic, or tribo-rheological can be modeled as conducting particles with equipotential surfaces that carry a net surface charge. The value of the surface potential will vary with the separation between interacting particles, and in the absence of charge-transfer or electrochemical reactions across the particle surface, the total charge of each particle must also remain constant. These two physical conditions require the electrostatic boundary condition for metallic nanoparticles to satisfy an equipotential whole-of-particle charge conservation constraint that has not been studied previously. This constraint gives rise to a global charge conserved constant potential boundary condition that results in multibody effects in the electric double-layer interaction that are either absent or are very small in the familiar constant potential or constant charge or surface electrochemical equilibrium condition.

Asymmetrical Polyhedral Configuration of Giant Vesicles Induced by Orderly Array of Encapsulated Colloidal Particles.

PubMed

Natsume, Yuno; Toyota, Taro

2016-01-01

Giant vesicles (GVs) encapsulating colloidal particles by a specific volume fraction show a characteristic configuration under a hypertonic condition. Several flat faces were formed in GV membrane with orderly array of inner particles. GV shape changed from the spherical to the asymmetrical polyhedral configuration. This shape deformation was derived by entropic interaction between inner particles and GV membrane. Because a part of inner particles became to form an ordered phase in the region neighboring the GV membrane, free volume for the other part of particles increased. Giant vesicles encapsulating colloidal particles were useful for the model of "crowding effect" which is the entropic interaction in the cell.

Effect of particle momentum transfer on an oblique-shock-wave/laminar-boundary-layer interaction

NASA Astrophysics Data System (ADS)

Teh, E.-J.; Johansen, C. T.

2016-11-01

Numerical simulations of solid particles seeded into a supersonic flow containing an oblique shock wave reflection were performed. The momentum transfer mechanism between solid and gas phases in the shock-wave/boundary-layer interaction was studied by varying the particle size and mass loading. It was discovered that solid particles were capable of significant modulation of the flow field, including suppression of flow separation. The particle size controlled the rate of momentum transfer while the particle mass loading controlled the magnitude of momentum transfer. The seeding of micro- and nano-sized particles upstream of a supersonic/hypersonic air-breathing propulsion system is proposed as a flow control concept.

Translating evidence-based guidelines to improve feedback practices: the interACT case study.

PubMed

Barton, Karen L; Schofield, Susie J; McAleer, Sean; Ajjawi, Rola

2016-02-09

There has been a substantial body of research examining feedback practices, yet the assessment and feedback landscape in higher education is described as 'stubbornly resistant to change'. The aim of this paper is to present a case study demonstrating how an entire programme's assessment and feedback practices were re-engineered and evaluated in line with evidence from the literature in the interACT (Interaction and Collaboration via Technology) project. Informed by action research the project conducted two cycles of planning, action, evaluation and reflection. Four key pedagogical principles informed the re-design of the assessment and feedback practices. Evaluation activities included document analysis, interviews with staff (n = 10) and students (n = 7), and student questionnaires (n = 54). Descriptive statistics were used to analyse the questionnaire data. Framework thematic analysis was used to develop themes across the interview data. InterACT was reported by students and staff to promote self-evaluation, engagement with feedback and feedback dialogue. Streamlining the process after the first cycle of action research was crucial for improving engagement of students and staff. The interACT process of promoting self-evaluation, reflection on feedback, feedback dialogue and longitudinal perspectives of feedback has clear benefits and should be transferable to other contexts. InterACT has involved comprehensive re-engineering of the assessment and feedback processes using educational principles to guide the design taking into account stakeholder perspectives. These principles and the strategies to enact them should be transferable to other contexts.

3D Plenoptic PIV Measurements of a Shock Wave Boundary Layer Interaction

NASA Astrophysics Data System (ADS)

Thurow, Brian; Bolton, Johnathan; Arora, Nishul; Alvi, Farrukh

2016-11-01

Plenoptic particle image velocimetry (PIV) is a relatively new technique that uses the computational refocusing capability of a single plenoptic camera and volume illumination with a double-pulsed light source to measure the instantaneous 3D/3C velocity field of a flow field seeded with particles. In this work, plenoptic PIV is used to perform volumetric velocity field measurements of a shock-wave turbulent boundary layer interaction (SBLI). Experiments were performed in a Mach 2.0 flow with the SBLI produced by an unswept fin at 15°angle of attack. The measurement volume was 38 x 25 x 32 mm3 and illuminated with a 400 mJ/pulse Nd:YAG laser with 1.7 microsecond inter-pulse time. Conventional planar PIV measurements along two planes within the volume are used for comparison. 3D visualizations of the fin generated shock and subsequent SBLI are presented. The growth of the shock foot and separation region with increasing distance from the fin tip is observed and agrees with observations made using planar PIV. Instantaneous images depict 3D fluctuations in the position of the shock foot from one image to the next. The authors acknowledge the support of the Air Force Office of Scientific Research.

[The structure of interaction in romantic relationships: hierarchical data analysis of inter-subjectivity between partners].

PubMed

Shimizu, Hiroshi; Daibo, Ikuo

2008-02-01

A hierarchical data analysis was conducted using data from couples to examine how self-reports of interactions between partners in romantic relationships predict the quality of the relationships. Whereas the social exchange theory has elucidated the quality of relationships from the individual level of subjectivity, this study focused on the structure of interactions between the partners (i.e., the frequency, strength, and diversity) through a process of inter-subjectivity at the couple level. A multilevel covariance structure analysis of 194 university students involved in romantic relationships revealed that the quality of relationships was mainly related to the strength and the diversity of interactions at the couple level, rather than the strength of interactions at the individual level. These results indicate that the inter-subjective process in romantic relationships may primarily explain the quality of relationships.

Facile fabrication of epoxy-TiO2 nanocomposites: A critical analysis of TiO2 impact on mechanical properties and toughening mechanisms.

PubMed

Goyat, M S; Rana, S; Halder, Sudipta; Ghosh, P K

2018-01-01

Optimized ultrasonic assisted dispersion of un-functionalized titanium dioxide (TiO 2 ) nanoparticles (0.5-20wt%) into epoxy resin is reported. The investigation shows that there is a direct relation among nanoparticles content, inter-particle spacing and cluster size of the particles on the glass transition temperature (T g ) and tensile properties of the prepared nanocomposites. A significant improvement in tensile strength and modulus with minimal detrimental effect on the toughness was observed for the prepared composites, where compared to pristine epoxy resins, about 26% and 18% improvement in tensile strength and strain-to-break %, respectively, was observed for 10wt% particles loading, whereas a maximum improvement of about 54% for tensile toughness was observed for 5wt% particles loaded resins. The investigations found that a strong particle-matrix interface results in the enhancement of the mechanical properties due to leading toughening mechanisms such as crack deflection, particle pull out and plastic deformation. Copyright © 2017 Elsevier B.V. All rights reserved.

Hotspot-mediated non-dissipative and ultrafast plasmon passage

NASA Astrophysics Data System (ADS)

Roller, Eva-Maria; Besteiro, Lucas V.; Pupp, Claudia; Khorashad, Larousse Khosravi; Govorov, Alexander O.; Liedl, Tim

2017-08-01

Plasmonic nanoparticles hold great promise as photon handling elements and as channels for coherent transfer of energy and information in future all-optical computing devices. Coherent energy oscillations between two spatially separated plasmonic entities via a virtual middle state exemplify electron-based population transfer, but their realization requires precise nanoscale positioning of heterogeneous particles. Here, we show the assembly and optical analysis of a triple-particle system consisting of two gold nanoparticles with an inter-spaced silver island. We observe strong plasmonic coupling between the spatially separated gold particles, mediated by the connecting silver particle, with almost no dissipation of energy. As the excitation energy of the silver island exceeds that of the gold particles, only quasi-occupation of the silver transfer channel is possible. We describe this effect both with exact classical electrodynamic modelling and qualitative quantum-mechanical calculations. We identify the formation of strong hotspots between all particles as the main mechanism for the lossless coupling and thus coherent ultrafast energy transfer between the remote partners. Our findings could prove useful for quantum gate operations, as well as for classical charge and information transfer processes.

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

NASA Astrophysics Data System (ADS)

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

2016-05-01

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

Advanced Gradient Heating Facility (AGHF)

NASA Technical Reports Server (NTRS)

1998-01-01

This section of the publication includes papers entitled: (1) Coupled growth in hypermonotectics; (2) Directional solidification of refined Al-4 wt.% Cu alloys; (3) Effects of convection on interface curvature during growth of concentrated ternary compounds; (4) Directional solidification of Al-1.5 wt.% Ni alloys; (5) Interactive response of advancing phase boundaries to particles; (6) INTeractive Response of Advancing Phase boundaries to Particles-INTRAPP; and (7) Particle engulfment and pushing by solidifying interfaces.

Cell and Particle Interactions and Aggregation During Electrophoretic Motion

NASA Technical Reports Server (NTRS)

Wang, Hua; Zeng, Shulin; Loewenberg, Michael; Todd, Paul; Davis, Robert H.

1996-01-01

The stability and pairwise aggregation rates of small spherical particles under the collective effects of buoyancy-driven motion and electrophoretic migration are analyzed. The particles are assumed to be non-Brownian, with thin double-layers and different zeta potentials. The particle aggregation rates may be enhanced or reduced, respectively, by parallel and antiparallel alignments of the buoyancy-driven and electrophoretic velocities. For antiparallel alignments, with the buoyancy-driven relative velocity exceeding the electrophoretic relative velocity between two widely-separated particles, there is a 'collision-forbidden region' in parameter space due to hydrodynamic interactions; thus, the suspension becomes stable against aggregation.

Dilution effects on combined magnetic and electric dipole interactions: A study of ferromagnetic cobalt nanoparticles with tuneable interactions

NASA Astrophysics Data System (ADS)

Hod, M.; Dobroserdova, A.; Samin, S.; Dobbrow, C.; Schmidt, A. M.; Gottlieb, M.; Kantorovich, S.

2017-08-01

Improved understanding of complex interactions between nanoparticles will facilitate the control over the ensuing self-assembled structures. In this work, we consider the dynamic changes occurring upon dilution in the self-assembly of a system of ferromagnetic cobalt nanoparticles that combine magnetic, electric, and steric interactions. The systems examined here vary in the strength of the magnetic dipole interactions and the amount of point charges per particle. Scattering techniques are employed for the characterization of the self-assembly aggregates, and zeta-potential measurements are employed for the estimation of surface charges. Our experiments show that for particles with relatively small initial number of surface electric dipoles, an increase in particle concentration results in an increase in diffusion coefficients; whereas for particles with relatively high number of surface dipoles, no effect is observed upon concentration changes. We attribute these changes to a shift in the adsorption/desorption equilibrium of the tri-n-octylphosphine oxide (TOPO) molecules on the particle surface. We put forward an explanation, based on the combination of two theoretical models. One predicts that the growing concentration of electric dipoles, stemming from the addition of tri-n-octylphosphine oxide (TOPO) as co-surfactant during particle synthesis, on the surface of the particles results in the overall repulsive interaction. Secondly, using density functional theory, we explain that the observed behaviour of the diffusion coefficient can be treated as a result of the concentration dependent nanoparticle self-assembly: additional repulsion leads to the reduction in self-assembled aggregate size despite the shorter average interparticle distances, and as such provides the growth of the diffusion coefficient.

Dilution effects on combined magnetic and electric dipole interactions: A study of ferromagnetic cobalt nanoparticles with tuneable interactions.

PubMed

Hod, M; Dobroserdova, A; Samin, S; Dobbrow, C; Schmidt, A M; Gottlieb, M; Kantorovich, S

2017-08-28

Improved understanding of complex interactions between nanoparticles will facilitate the control over the ensuing self-assembled structures. In this work, we consider the dynamic changes occurring upon dilution in the self-assembly of a system of ferromagnetic cobalt nanoparticles that combine magnetic, electric, and steric interactions. The systems examined here vary in the strength of the magnetic dipole interactions and the amount of point charges per particle. Scattering techniques are employed for the characterization of the self-assembly aggregates, and zeta-potential measurements are employed for the estimation of surface charges. Our experiments show that for particles with relatively small initial number of surface electric dipoles, an increase in particle concentration results in an increase in diffusion coefficients; whereas for particles with relatively high number of surface dipoles, no effect is observed upon concentration changes. We attribute these changes to a shift in the adsorption/desorption equilibrium of the tri-n-octylphosphine oxide (TOPO) molecules on the particle surface. We put forward an explanation, based on the combination of two theoretical models. One predicts that the growing concentration of electric dipoles, stemming from the addition of tri-n-octylphosphine oxide (TOPO) as co-surfactant during particle synthesis, on the surface of the particles results in the overall repulsive interaction. Secondly, using density functional theory, we explain that the observed behaviour of the diffusion coefficient can be treated as a result of the concentration dependent nanoparticle self-assembly: additional repulsion leads to the reduction in self-assembled aggregate size despite the shorter average interparticle distances, and as such provides the growth of the diffusion coefficient.

PITCH-ANGLE SCATTERING: RESONANCE VERSUS NONRESONANCE, A BASIC TEST OF THE QUASILINEAR DIFFUSIVE RESULT

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

Ragot, B. R.

2012-01-01

Due to the very broad range of the scales available for the development of turbulence in space and astrophysical plasmas, the energy at the resonant scales of wave-particle interaction often constitutes only a tiny fraction of the total magnetic turbulent energy. Despite the high efficiency of resonant wave-particle interaction, one may therefore question whether resonant interaction really is the determining interaction process between particles and turbulent fields. By evaluating and comparing resonant and nonresonant effects in the frame of a quasilinear calculation, the dominance of resonance is here put to the test. By doing so, a basic test of themore » classical resonant quasilinear diffusive result for the pitch-angle scattering of charged energetic particles is also performed.« less

Cell-polymer interactions of fluorescent polystyrene latex particles coated with thermosensitive poly(N-isopropylacrylamide) and poly(N-vinylcaprolactam) or grafted with poly(ethylene oxide)-macromonomer.

PubMed

Vihola, Henna; Marttila, Anna-Kaisa; Pakkanen, Jukka S; Andersson, Mirja; Laukkanen, Antti; Kaukonen, Ann Marie; Tenhu, Heikki; Hirvonen, Jouni

2007-10-01

Cell-polymer interactions of thermosensitive poly(N-isopropylacrylamide) (PNIPAM) or poly(N-vinylcaprolactam) (PVCL) coated particles with RAW264.7 macrophages and intestinal Caco-2 cells were evaluated. Nanosized particles were prepared by modifying the surface of fluorescent polystyrene (FPS) particles with the thermosensitive polymer gels or with poly(ethylene oxide) (PEO)-macromonomer grafts. The particles were characterized by IR-spectroscopy for functional groups, light scattering for size distribution and zeta-potential for surface charge. Effects of temperature and polymer coating/grafting on the cellular interactions were evaluated by cell association/uptake and visualized by confocal scanning microscope. PEO and PNIPAM inhibited the polymer-cell contact by steric repulsion, evidenced by weak attachment of the particles. PVCL-coated FPS was adsorbed on the cells more strongly, especially at 37 degrees C, because of more hydrophobic nature at higher temperatures. The results suggest feasibility of the PNIPAM and PVCL for biotechnological/pharmaceutical applications, as the cell-particle interactions may be modified by size, surface charge, hydrophobicity, steric repulsion and temperature.

A Hamiltonian Model of Dissipative Wave-particle Interactions and the Negative-mass Effect

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

A. Zhmoginov

2011-02-07

The effect of radiation friction is included in the Hamiltonian treatment of wave-particle interactions with autoresonant phase-locking, yielding a generalized canonical approach to the problem of dissipative dynamics near a nonlinear resonance. As an example, the negativemass eff ect exhibited by a charged particle in a pump wave and a static magnetic field is studied in the presence of the friction force due to cyclotron radiation. Particles with negative parallel masses m! are shown to transfer their kinetic energy to the pump wave, thus amplifying it. Counterintuitively, such particles also undergo stable dynamics, decreasing their transverse energy monotonically due tomore » cyclotron cooling, whereas some of those with positive m! undergo cyclotron heating instead, extracting energy from the pump wave.« less

A cosmic ray driven instability

NASA Technical Reports Server (NTRS)

Dorfi, E. A.; Drury, L. O.

1985-01-01

The interaction between energetic charged particles and thermal plasma which forms the basis of diffusive shock acceleration leads also to interesting dynamical phenomena. For a compressional mode propagating in a system with homogeneous energetic particle pressure it is well known that friction with the energetic particles leads to damping. The linear theory of this effect has been analyzed in detail by Ptuskin. Not so obvious is that a non-uniform energetic particle pressure can addition amplify compressional disturbances. If the pressure gradient is sufficiently steep this growth can dominate the frictional damping and lead to an instability. It is important to not that this effect results from the collective nature of the interaction between the energetic particles and the gas and is not connected with the Parker instability, nor with the resonant amplification of Alfven waves.

Physicochemical and Electrophysical Properties of Metal/Semiconductor Containing Nanostructured Composites

NASA Astrophysics Data System (ADS)

Gerasimov, G. N.; Gromov, V. F.; Trakhtenberg, L. I.

2018-06-01

The properties of nanostructured composites based on metal oxides and metal-polymer materials are analyzed, along with ways of preparing them. The effect the interaction between metal and semiconductor nanoparticles has on the conductivity, photoconductivity, catalytic activity, and magnetic, dielectric, and sensor properties of nanocomposites is discussed. It is shown that as a result of this interaction, a material can acquire properties that do not exist in systems of isolated particles. The transfer of electrons between metal particles of different sizes in polymeric matrices leads to specific dielectric losses, and to an increase in the rate and a change in the direction of chemical reactions catalyzed by these particles. The interaction between metal-oxide semiconductor particles results in the electronic and chemical sensitization of sensor effects in nanostructured composite materials. Studies on creating molecular machines (Brownian motors), devices for magnetic recording of information, and high-temperature superconductors based on nanostructured systems are reviewed.

InterACTIVE Interpreted Interviews (I3): A multi-lingual, mobile method to examine the neighbourhood environment with older adults.

PubMed

Tong, Catherine; Sims-Gould, Joanie; McKay, Heather

2016-11-01

The global population is aging and older adults overwhelmingly wish to age in place. A positive neighbourhood context is crucial for the wellbeing of older adults. The ability to age in place is predicated on mobility; mobility is the capacity to move oneself around the home and community using a variety of modes. Segments of the population have been entirely overlooked within the mobility and built environment literature; we know surprisingly little about foreign-born older adults (FBOAs). We sought to understand the impact of the neighbourhood environment on the mobility and physical activity of FBOAs. To do so we endeavoured to develop an interview tool that would allow us to interact with the environment alongside, or through the eyes of, our participants. This article outlines lessons learned following design and implementation of an interview approach that we conducted with FBOAs -- "InterACTIVE Interpreted Interviews (I 3 )". We used the interACTIVE interview approach in a large mixed-method study on FBOA mobility in Vancouver, Canada. All aspects of the study were offered in Hindi, Punjabi, Cantonese, Mandarin and English, with the aid of professional interpreters. Twenty FBOAs completed in-depth qualitative interviews. Of these, thirteen completed the mobile, interACTIVE interview. The interACTIVE interview consisted of a neighbourhood walk, guided by the participant. Our approach integrated elements of participant observation, researcher participation, and unstructured interviewing to enrich discussions with participants. The interACTIVE approach deepened our understanding of neighbourhood context and allowed researchers and participants to overcome issues inherent in language interpretation. We were able to overcome concerns of privacy, safety and comfort to successfully implement this observational tool and recommend it as an attractive, alternative approach for those conducting studies with FBOAs. Copyright © 2016 Elsevier Ltd. All rights reserved.

4-Meth-oxy-3-(meth-oxy-meth-yl)benzalde-hyde.

PubMed

Zhang, Jing-Chao; Sun, Jun; Zhang, Juan; Liu, Guang-Lin; Guo, Cheng

2013-01-01

In the title compound, C10H12O3, the dihedral angle between the benzene ring and the meth-oxy-methyl side chain is 9.7 (2)°. The O atom of the aldehyde group and the C atom of the meth-oxy group deviate from the plane of the ring by 0.039 (3) and 0.338 (4) Å, respectively. The only inter-molecular inter-actions are very weak C-H⋯π inter-actions.

A conative educational model for an intervention program in obese youth.

PubMed

Vanhelst, Jérémy; Béghin, Laurent; Fardy, Paul Stephen; Bui-Xuan, Gilles; Mikulovic, Jacques

2012-06-07

Obesity in children has increased in recent years throughout the world and is associated with adverse health consequences. Early interventions, including appropriate pedagogy strategies, are important for a successful intervention program. The aim of this study was to assess changes in body mass index, the ability to perform sport activities, behavior in the classroom and academic performance following one year of a health-wellness intervention program in obese youth. The CEMHaVi program included 37 obese children (19 girls and 18 boys). Participants received an intervention program consisting of physical activity and health education. Assessment included body mass index, academic performance, classroom performance and ability to perform sport activities. Paired t tests were used to assess the effects of intervention, and chi square was used to assess inter-action between measures. Findings of the study suggest significant decrease in Z scores of Body Mass Index and an improvement of academic performance, classroom behavior and the ability to perform sport activities (p < 0.05). Chi square testing showed significant positive inter-actions between body mass index, classroom behavior and academic performance. Results following year one of CEMHaVi showed that a program of physical activity and health education had positive effects on obesity, behavior in the classroom and the ability to perform sport activities in obese adolescents. Significant inter-action in changes between variables was observed. Findings are important for designing intervention models to improve health in obese youth.

Single-particle potential of the Λ hyperon in nuclear matter with chiral effective field theory NLO interactions including effects of Y N N three-baryon interactions

NASA Astrophysics Data System (ADS)

Kohno, M.

2018-03-01

Adopting hyperon-nucleon and hyperon-nucleon-nucleon interactions parametrized in chiral effective field theory, single-particle potentials of the Λ and Σ hyperons are evaluated in symmetric nuclear matter and in pure neutron matter within the framework of lowest-order Bruckner theory. The chiral NLO interaction bears strong Λ N -Σ N coupling. Although the Λ potential is repulsive if the coupling is switched off, the Λ N -Σ N correlation brings about the attraction consistent with empirical data. The Σ potential is repulsive, which is also consistent with empirical information. The interesting result is that the Λ potential becomes shallower beyond normal density. This provides the possibility of solving the hyperon puzzle without introducing ad hoc assumptions. The effects of the Λ N N -Λ N N and Λ N N -Σ N N three-baryon forces are considered. These three-baryon forces are first reduced to normal-ordered effective two-baryon interactions in nuclear matter and then incorporated in the G -matrix equation. The repulsion from the Λ N N -Λ N N interaction is of the order of 5 MeV at normal density and becomes larger with increasing density. The effects of the Λ N N -Σ N N coupling compensate the repulsion at normal density. The net effect of the three-baryon interactions on the Λ single-particle potential is repulsive at higher densities.

Solution of the Skyrme-Hartree-Fock-Bogolyubov equations in the Cartesian deformed harmonic-oscillator basis.. (VI) HFODD (v2.40h): A new version of the program

NASA Astrophysics Data System (ADS)

Dobaczewski, J.; Satuła, W.; Carlsson, B. G.; Engel, J.; Olbratowski, P.; Powałowski, P.; Sadziak, M.; Sarich, J.; Schunck, N.; Staszczak, A.; Stoitsov, M.; Zalewski, M.; Zduńczuk, H.

2009-11-01

We describe the new version (v2.40h) of the code HFODD which solves the nuclear Skyrme-Hartree-Fock or Skyrme-Hartree-Fock-Bogolyubov problem by using the Cartesian deformed harmonic-oscillator basis. In the new version, we have implemented: (i) projection on good angular momentum (for the Hartree-Fock states), (ii) calculation of the GCM kernels, (iii) calculation of matrix elements of the Yukawa interaction, (iv) the BCS solutions for state-dependent pairing gaps, (v) the HFB solutions for broken simplex symmetry, (vi) calculation of Bohr deformation parameters, (vii) constraints on the Schiff moments and scalar multipole moments, (viii) the DT2h transformations and rotations of wave functions, (ix) quasiparticle blocking for the HFB solutions in odd and odd-odd nuclei, (x) the Broyden method to accelerate the convergence, (xi) the Lipkin-Nogami method to treat pairing correlations, (xii) the exact Coulomb exchange term, (xiii) several utility options, and we have corrected three insignificant errors. New version program summaryProgram title: HFODD (v2.40h) Catalogue identifier: ADFL_v2_2 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADFL_v2_2.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 79 618 No. of bytes in distributed program, including test data, etc.: 372 548 Distribution format: tar.gz Programming language: FORTRAN-77 and Fortran-90 Computer: Pentium-III, AMD-Athlon, AMD-Opteron Operating system: UNIX, LINUX, Windows XP Has the code been vectorised or parallelized?: Yes, vectorised RAM: 10 Mwords Word size: The code is written in single-precision for use on a 64-bit processor. The compiler option -r8 or +autodblpad (or equivalent) has to be used to promote all real and complex single-precision floating-point items to double precision when the code is used on a 32-bit machine. Classification: 17.22 Catalogue identifier of previous version: ADFL_v2_1 Journal reference of previous version: Comput. Phys. Commun. 167 (2005) 214 External routines: Lapack (http://www.netlib.org/lapack/), Blas (http://www.netlib.org), linpack (http://www.netlib/linpack/) Does the new version supersede the previous version?: Yes Nature of problem: The nuclear mean-field and an analysis of its symmetries in realistic cases are the main ingredients of a description of nuclear states. Within the Local Density Approximation, or for a zero-range velocity-dependent Skyrme interaction, the nuclear mean-field is local and velocity dependent. The locality allows for an effective and fast solution of the self-consistent Hartree-Fock equations, even for heavy nuclei, and for various nucleonic (n-particle n-hole) configurations, deformations, excitation energies, or angular momenta. Similar Local Density Approximation in the particle-particle channel, which is equivalent to using a zero-range interaction, allows for a simple implementation of pairing effects within the Hartree-Fock-Bogolyubov method. Solution method: The program uses the Cartesian harmonic oscillator basis to expand single-particle or single-quasiparticle wave functions of neutrons and protons interacting by means of the Skyrme effective interaction and zero-range pairing interaction. The expansion coefficients are determined by the iterative diagonalization of the mean field Hamiltonians or Routhians which depend non-linearly on the local neutron and proton densities. Suitable constraints are used to obtain states corresponding to a given configuration, deformation or angular momentum. The method of solution has been presented in [1]. Summary of revisions: Projection on good angular momentum (for the Hartree-Fock states) has been implemented. Calculation of the GCM kernels has been implemented. Calculation of matrix elements of the Yukawa interaction has been implemented. The BCS solutions for state-dependent pairing gaps have been implemented. The HFB solutions for broken simplex symmetry have been implemented. Calculation of Bohr deformation parameters has been implemented. Constraints on the Schiff moments and scalar multipole moments have been implemented. The DT2h transformations and rotations of wave functions have been implemented. The quasiparticle blocking for the HFB solutions in odd and odd-odd nuclei has been implemented. The Broyden method to accelerate the convergence has been implemented. The Lipkin-Nogami method to treat pairing correlations has been implemented. The exact Coulomb exchange term has been implemented. Several utility options have been implemented. Three insignificant errors have been corrected. Restrictions: The main restriction is the CPU time required for calculations of heavy deformed nuclei and for a given precision required. Unusual features: The user must have access to an implementation of the BLAS (Basic Linear Algebra Subroutines), the NAGLIB subroutine F02AXE, or LAPACK subroutines ZHPEV, ZHPEVX, or ZHEEVR, which diagonalize complex Hermitian matrices, and the LINPACK subroutines ZGEDI and ZGECO, which invert arbitrary complex matrices and calculate determinants or provide another set of subroutines that can perform such a tasks. The LAPACK and LINPACK subroutines and an unoptimized version of the BLAS can be obtained from the Netlib Repository at the University of Tennessee, Knoxville: http://www.netlib.org/. Running time: One Hartree-Fock iteration for the superdeformed, rotating, parity conserving state of 15266Dy86 takes about six seconds on the AMD-Athlon 1600+ processor. Starting from the Woods-Saxon wave functions, about fifty iterations are required to obtain the energy converged within the precision of about 0.1 keV. In the case where every value of the angular velocity is converged separately, the complete superdeformed band with precisely determined dynamical moments J (2) can be obtained in forty minutes of CPU time on the AMD-Athlon 1600+ processor. This time can be often reduced by a factor of three when a self-consistent solution for a given rotational frequency is used as a starting point for a neighboring rotational frequency. References: J. Dobaczewski, J. Dudek, Comput. Phys. Commun. 102 (1997) 166.

VARIATION OF LUNG DEPOSITION OF MICRON SIZE PARTICLES WITH LUNG VOLUME AND BREATHING PATTERN

EPA Science Inventory

Lung volume and breathing pattern are the source of inter-and intra-subject variability of lung deposition of inhaled particles. Controlling these factors may help optimize delivery of aerosol medicine to the target site within the lung. In the present study we measured total lu...

Particle transport and deposition: basic physics of particle kinetics.

PubMed

Tsuda, Akira; Henry, Frank S; Butler, James P

2013-10-01

The human body interacts with the environment in many different ways. The lungs interact with the external environment through breathing. The enormously large surface area of the lung with its extremely thin air-blood barrier is exposed to particles suspended in the inhaled air. The particle-lung interaction may cause deleterious effects on health if the inhaled pollutant aerosols are toxic. Conversely, this interaction can be beneficial for disease treatment if the inhaled particles are therapeutic aerosolized drugs. In either case, an accurate estimation of dose and sites of deposition in the respiratory tract is fundamental to understanding subsequent biological response, and the basic physics of particle motion and engineering knowledge needed to understand these subjects is the topic of this article. A large portion of this article deals with three fundamental areas necessary to the understanding of particle transport and deposition in the respiratory tract. These are: (i) the physical characteristics of particles, (ii) particle behavior in gas flow, and (iii) gas-flow patterns in the respiratory tract. Other areas, such as particle transport in the developing lung and in the diseased lung are also considered. The article concludes with a summary and a brief discussion of areas of future research. © 2013 American Physiological Society. Compr Physiol 3:1437-1471, 2013.

Interaction of Radiation with Graphene Based Nanomaterials for Sensing Fissile Materials

DTIC Science & Technology

2016-03-01

about how ionizing radiation (gamma rays, neutrons ) and associated charged particles interact with nano-materials/structures based on graphene, which...various experimental tests of effect of light, X-rays, gamma-rays and neutrons on graphene & graphene FET) 2. What other organizations have been...knowledge about how ionizing radiation (gamma rays, neutrons ) and associated charged particles interact with nano- materials/structures based on graphene

Surface charge accumulation of particles containing radionuclides in open air.

PubMed

Kim, Yong-Ha; Yiacoumi, Sotira; Tsouris, Costas

2015-05-01

Radioactivity can induce charge accumulation on radioactive particles. However, electrostatic interactions caused by radioactivity are typically neglected in transport modeling of radioactive plumes because it is assumed that ionizing radiation leads to charge neutralization. The assumption that electrostatic interactions caused by radioactivity are negligible is evaluated here by examining charge accumulation and neutralization on particles containing radionuclides in open air. A charge-balance model is employed to predict charge accumulation on radioactive particles. It is shown that particles containing short-lived radionuclides can be charged with multiple elementary charges through radioactive decay. The presence of radioactive particles can significantly modify the particle charge distribution in open air and yield an asymmetric bimodal charge distribution, suggesting that strong electrostatic particle interactions may occur during short- and long-range transport of radioactive particles. Possible effects of transported radioactive particles on electrical properties of the local atmosphere are reported. The study offers insight into transport characteristics of airborne radionuclides. Results are useful in atmospheric transport modeling of radioactive plumes. Copyright © 2015 Elsevier Ltd. All rights reserved.

Interaction of a shock wave with an array of particles and effect of particles on the shock wave weakening

NASA Astrophysics Data System (ADS)

Bulat, P. V.; Ilyina, T. E.; Volkov, K. N.; Silnikov, M. V.; Chernyshov, M. V.

2017-06-01

Two-phase systems that involve gas-particle or gas-droplet flows are widely used in aerospace and power engineering. The problems of weakening and suppression of detonation during saturation of a gas or liquid flow with the array of solid particles are considered. The tasks, associated with the formation of particles arrays, dust lifting behind a travelling shock wave, ignition of particles in high-speed and high-temperature gas flows are adjoined to safety of space flight. The mathematical models of shock wave interaction with the array of solid particles are discussed, and numerical methods are briefly described. The numerical simulations of interaction between sub- and supersonic flows and an array of particles being in motionless state at the initial time are performed. Calculations are carried out taking into account the influence that the particles cause on the flow of carrier gas. The results obtained show that inert particles significantly weaken the shock waves up to their suppression, which can be used to enhance the explosion safety of spacecrafts.

Simulation of wave packet tunneling of interacting identical particles

NASA Astrophysics Data System (ADS)

Lozovik, Yu. E.; Filinov, A. V.; Arkhipov, A. S.

2003-02-01

We demonstrate a different method of simulation of nonstationary quantum processes, considering the tunneling of two interacting identical particles, represented by wave packets. The used method of quantum molecular dynamics (WMD) is based on the Wigner representation of quantum mechanics. In the context of this method ensembles of classical trajectories are used to solve quantum Wigner-Liouville equation. These classical trajectories obey Hamiltonian-like equations, where the effective potential consists of the usual classical term and the quantum term, which depends on the Wigner function and its derivatives. The quantum term is calculated using local distribution of trajectories in phase space, therefore, classical trajectories are not independent, contrary to classical molecular dynamics. The developed WMD method takes into account the influence of exchange and interaction between particles. The role of direct and exchange interactions in tunneling is analyzed. The tunneling times for interacting particles are calculated.

Laboratory Experiments and Instrument Intercomparison Studies of Carbonaceous Aerosol Particles

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

Davidovits, Paul

Aerosols containing black carbon (and some specific types of organic particulate matter) directly absorb incoming light, heating the atmosphere. In addition, all aerosol particles backscatter solar light, leading to a net-cooling effect. Indirect effects involve hydrophilic aerosols, which serve as cloud condensation nuclei (CCN) that affect cloud cover and cloud stability, impacting both atmospheric radiation balance and precipitation patterns. At night, all clouds produce local warming, but overall clouds exert a net-cooling effect on the Earth. The effect of aerosol radiative forcing on climate may be as large as that of the greenhouse gases, but predominantly opposite in sign andmore » much more uncertain. The uncertainties in the representation of aerosol interactions in climate models makes it problematic to use model projections to guide energy policy. The objective of our program is to reduce the uncertainties in the aerosol radiative forcing in the two areas highlighted in the ASR Science and Program Plan. That is, (1) addressing the direct effect by correlating particle chemistry and morphology with particle optical properties (i.e. absorption, scattering, extinction), and (2) addressing the indirect effect by correlating particle hygroscopicity and CCN activity with particle size, chemistry, and morphology. In this connection we are systematically studying particle formation, oxidation, and the effects of particle coating. The work is specifically focused on carbonaceous particles where the uncertainties in the climate relevant properties are the highest. The ongoing work consists of laboratory experiments and related instrument inter-comparison studies both coordinated with field and modeling studies, with the aim of providing reliable data to represent aerosol processes in climate models. The work is performed in the aerosol laboratory at Boston College. At the center of our laboratory setup are two main sources for the production of aerosol particles: (a) two well-characterized source of soot particles and (b) a flow reactor for controlled OH and/or O3 oxidation of relevant gas phase species to produce well-characterized SOA particles. After formation, the aerosol particles are subjected to physical and chemical processes that simulate aerosol growth and aging. A suite of instruments in our laboratory is used to characterize the physical and chemical properties of aerosol particles before and after processing. The Time of Flight Aerosol Mass Spectrometer (ToF-AMS) together with a Scanning Mobility Particle Sizer (SMPS) measures particle mass, volume, density, composition (including black carbon content), dynamic shape factor, and fractal dimension. The–ToF-AMS was developed at ARI with Boston College participation. About 120 AMS instruments are now in service (including 5 built for DOE laboratories) performing field and laboratory studies world-wide. Other major instruments include a thermal denuder, two Differential Mobility Analyzers (DMA), a Cloud Condensation Nuclei Counter (CCN), a Thermal desorption Aerosol GC/MS (TAG) and the new Soot Particle Aerosol Mass Spectrometer (SP-AMS). Optical instrumentation required for the studies have been brought to our laboratory as part of ongoing and planned collaborative projects with colleagues from DOE, NOAA and university laboratories. Optical instruments that will be utilized include a Photoacoustic Spectrometer (PAS), a Cavity Ring Down Aerosol Extinction Spectrometer (CRD-AES), a Photo Thermal Interferometer (PTI), a new 7-wavelength Aethalometer and a Cavity Attenuated Phase Shift Extinction Monitor (CAPS). These instruments are providing aerosol absorption, extinction and scattering coefficients at a range of atmospherically relevant wavelengths. During the past two years our work has continued along the lines of our original proposal. We report on 12 completed and/or continuing projects conducted during the period 08/14 to 0814/2015. These projects are described in 17 manuscripts published in refereed journals.« less

Interaction between like-charged polyelectrolyte-colloid complexes in electrolyte solutions: a Monte Carlo simulation study in the Debye-Hückel approximation.

PubMed

Truzzolillo, D; Bordi, F; Sciortino, F; Sennato, S

2010-07-14

We study the effective interaction between differently charged polyelectrolyte-colloid complexes in electrolyte solutions via Monte Carlo simulations. These complexes are formed when short and flexible polyelectrolyte chains adsorb onto oppositely charged colloidal spheres, dispersed in an electrolyte solution. In our simulations the bending energy between adjacent monomers is small compared to the electrostatic energy, and the chains, once adsorbed, do not exchange with the solution, although they rearrange on the particles surface to accommodate further adsorbing chains or due to the electrostatic interaction with neighbor complexes. Rather unexpectedly, when two interacting particles approach each other, the rearrangement of the surface charge distribution invariably produces antiparallel dipolar doublets that invert their orientation at the isoelectric point. These findings clearly rule out a contribution of dipole-dipole interactions to the observed attractive interaction between the complexes, pointing out that such suspensions cannot be considered dipolar fluids. On varying the ionic strength of the electrolyte, we find that a screening length kappa(-1), short compared with the size of the colloidal particles, is required in order to observe the attraction between like-charged complexes due to the nonuniform distribution of the electric charge on their surface ("patch attraction"). On the other hand, by changing the polyelectrolyte/particle charge ratio xi(s), the interaction between like-charged polyelectrolyte-decorated particles, at short separations, evolves from purely repulsive to strongly attractive. Hence, the effective interaction between the complexes is characterized by a potential barrier, whose height depends on the net charge and on the nonuniformity of their surface charge distribution.

Neither bridging nor bonding: A test of socialization effects by ethnically diverse voluntary associations on participants' inter-ethnic tolerance, inter-ethnic trust and intra-ethnic belonging.

PubMed

van der Meer, Tom

2016-01-01

The distinction between bridging and bonding associations is a cornerstone of social capital research. Nevertheless, this study is the first to provide a direct test of the socialization mechanism that supposedly causes ethnically mixed (bridging) associations to generate interethnic tolerance and trust, and homogenous (bonding) associations to cement self-affirming identities. This multilevel analysis of the Citizenship, Involvement & Democracy (CID) 1999/2000 survey data on Mannheim (Germany), Enschede (the Netherlands), and Aberdeen (Scotland) covers 3166 active participants in 645 associations. The CID includes objective, exogenous measures of each association's composition and aim. Socialization and self-selection effects are pulled apart through interactions with detailed measures of associational involvement. The results display no evidence for (diverse and homogenous) associations as socializing agents. Although inter-ethnic tolerance is higher in ethnically diverse associations, this should be attributed to self-selection effects. Copyright © 2015 Elsevier Inc. All rights reserved.

Inter-kingdom prediction certainty evaluation of protein subcellular localization tools: microbial pathogenesis approach for deciphering host microbe interaction.

PubMed

Khan, Abdul Arif; Khan, Zakir; Kalam, Mohd Abul; Khan, Azmat Ali

2018-01-01

Microbial pathogenesis involves several aspects of host-pathogen interactions, including microbial proteins targeting host subcellular compartments and subsequent effects on host physiology. Such studies are supported by experimental data, but recent detection of bacterial proteins localization through computational eukaryotic subcellular protein targeting prediction tools has also come into practice. We evaluated inter-kingdom prediction certainty of these tools. The bacterial proteins experimentally known to target host subcellular compartments were predicted with eukaryotic subcellular targeting prediction tools, and prediction certainty was assessed. The results indicate that these tools alone are not sufficient for inter-kingdom protein targeting prediction. The correct prediction of pathogen's protein subcellular targeting depends on several factors, including presence of localization signal, transmembrane domain and molecular weight, etc., in addition to approach for subcellular targeting prediction. The detection of protein targeting in endomembrane system is comparatively difficult, as the proteins in this location are channelized to different compartments. In addition, the high specificity of training data set also creates low inter-kingdom prediction accuracy. Current data can help to suggest strategy for correct prediction of bacterial protein's subcellular localization in host cell. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Self-organizing magnetic beads for biomedical applications

NASA Astrophysics Data System (ADS)

Gusenbauer, Markus; Kovacs, Alexander; Reichel, Franz; Exl, Lukas; Bance, Simon; Özelt, Harald; Schrefl, Thomas

2012-03-01

In the field of biomedicine magnetic beads are used for drug delivery and to treat hyperthermia. Here we propose to use self-organized bead structures to isolate circulating tumor cells using lab-on-chip technologies. Typically blood flows past microposts functionalized with antibodies for circulating tumor cells. Creating these microposts with interacting magnetic beads makes it possible to tune the geometry in size, position and shape. We developed a simulation tool that combines micromagnetics and discrete particle dynamics, in order to design micropost arrays made of interacting beads. The simulation takes into account the viscous drag of the blood flow, magnetostatic interactions between the magnetic beads and gradient forces from external aligned magnets. We developed a particle-particle particle-mesh method for effective computation of the magnetic force and torque acting on the particles.

On the representation of aerosol activation and its influence on model-derived estimates of the aerosol indirect effect

NASA Astrophysics Data System (ADS)

Rothenberg, Daniel; Avramov, Alexander; Wang, Chien

2018-06-01

Interactions between aerosol particles and clouds contribute a great deal of uncertainty to the scientific community's understanding of anthropogenic climate forcing. Aerosol particles serve as the nucleation sites for cloud droplets, establishing a direct linkage between anthropogenic particulate emissions and clouds in the climate system. To resolve this linkage, the community has developed parameterizations of aerosol activation which can be used in global climate models to interactively predict cloud droplet number concentrations (CDNCs). However, different activation schemes can exhibit different sensitivities to aerosol perturbations in different meteorological or pollution regimes. To assess the impact these different sensitivities have on climate forcing, we have coupled three different core activation schemes and variants with the CESM-MARC (two-Moment, Multi-Modal, Mixing-state-resolving Aerosol model for Research of Climate (MARC) coupled with the National Center for Atmospheric Research's (NCAR) Community Earth System Model (CESM; version 1.2)). Although the model produces a reasonable present-day CDNC climatology when compared with observations regardless of the scheme used, ΔCDNCs between the present and preindustrial era regionally increase by over 100 % in zonal mean when using the most sensitive parameterization. These differences in activation sensitivity may lead to a different evolution of the model meteorology, and ultimately to a spread of over 0.8 W m-2 in global average shortwave indirect effect (AIE) diagnosed from the model, a range which is as large as the inter-model spread from the AeroCom intercomparison. Model-derived AIE strongly scales with the simulated preindustrial CDNC burden, and those models with the greatest preindustrial CDNC tend to have the smallest AIE, regardless of their ΔCDNC. This suggests that present-day evaluations of aerosol-climate models may not provide useful constraints on the magnitude of the AIE, which will arise from differences in model estimates of the preindustrial aerosol and cloud climatology.

Effects of gonadectomy and serotonin depletion on inter-individual differences in anxiety-like behaviour in male Wistar rats.

PubMed

Näslund, Jakob; Studer, Erik; Johansson, Elin; Eriksson, Elias

2016-07-15

Previous studies in Wistar rats suggest inter-individual differences in anxiety-like behaviour as assessed using the elevated plus maze (EPM), both between sexes and among males, to be abolished by serotonin depletion. To shed further light on the influence of sex steroids and serotonin - and on the interplay between the two - on proneness for EPM-assessed anxiety in males, outbred Wistar rats were divided into those with high and low anxiety, respectively, and exposed to gonadectomy or sham operation followed by administration of a serotonin synthesis inhibitor, para-chlorophenylalanine, or saline. Whereas gonadectomy enhanced anxiety-like behaviour in low anxiety rats so that these no longer differed in this regard from the high anxiety group, serotonin depletion reversed this effect, and also reduced anxiety in the low anxiety group regardless of gonadal state. A previously observed association between high anxiety-like behaviour and high expression of the serotonin-synthesizing enzyme tryptophan hydroxylase 2 (Tph2) in the raphe was confirmed in sham-operated animals but absent in gonadectomised rats, an ANCOVA revealing a significant interactive effect of baseline anxiety and gonadal state on Tph2 expression. It is suggested that androgens may contribute to upholding inter-individual differences in anxiety-like behaviour in male rats by interacting with serotonergic neurotransmission. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

High-energy e- /e+ spectrometer via coherent interaction in a bent crystal

NASA Astrophysics Data System (ADS)

Bagli, Enrico; Guidi, Vincenzo; Howard, Alexander

2018-01-01

We propose a novel spectrometer based on the crystal channeling effect capable of discriminating between positive and negative particles well beyond the TeV energy scale. The atomic order of a crystalline structure generates an electrostatic field built up by all the atoms in the crystals, which confines charged particle trajectories between neighbouring atomic planes. Through such an interaction in a tiny curved crystal, the same dynamical action on the highest energy particles as that of a huge superconducting magnet is achieved. Depending on the charge sign, points of equilibrium of the oscillatory motion under channeling lie between or on atomic planes for positive and negative particles, respectively, forcing positive particles to stably oscillate far from the planes, while negative ones repeatedly cross them. The different interaction rate with atomic planes causes a tremendous discrepancy between the deflection efficiency of positive and negative particles under channeling. We suggest the use of interactions between charged particles and oriented bent crystals as a novel non-cryogenic passive charge spectrometer to aid the search for dark matter in the Universe in satellite-borne experiment. The limited angular acceptance makes this technique particularly suited for directional local sources of energetic charged particles.

Modulation of intra- and inter-sheet interactions in short peptide self-assembly by acetonitrile in aqueous solution

NASA Astrophysics Data System (ADS)

Deng, Li; Zhao, Yurong; Zhou, Peng; Xu, Hai; Wang, Yanting

2016-12-01

Besides our previous experimental discovery (Zhao Y R, et al. 2015 Langmuir, 31, 12975) that acetonitrile (ACN) can tune the morphological features of nanostructures self-assembled by short peptides KIIIIK (KI4K) in aqueous solution, further experiments reported in this work demonstrate that ACN can also tune the mass of the self-assembled nanostructures. To understand the microscopic mechanism how ACN molecules interfere peptide self-assembly process, we conducted a series of molecular dynamics simulations on a monomer, a cross-β sheet structure, and a proto-fibril of KI4K in pure water, pure ACN, and ACN-water mixtures, respectively. The simulation results indicate that ACN enhances the intra-sheet interaction dominated by the hydrogen bonding (H-bonding) interactions between peptide backbones, but weakens the inter-sheet interaction dominated by the interactions between hydrophobic side chains. Through analyzing the correlations between different groups of solvent and peptides and the solvent behaviors around the proto-fibril, we have found that both the polar and nonpolar groups of ACN play significant roles in causing the opposite effects on intermolecular interactions among peptides. The weaker correlation of the polar group of ACN than water molecule with the peptide backbone enhances H-bonding interactions between peptides in the proto-fibril. The stronger correlation of the nonpolar group of ACN than water molecule with the peptide side chain leads to the accumulation of ACN molecules around the proto-fibril with their hydrophilic groups exposed to water, which in turn allows more water molecules close to the proto-fibril surface and weakens the inter-sheet interactions. The two opposite effects caused by ACN form a microscopic mechanism clearly explaining our experimental observations. Project supported by the National Basic Research Program of China (Grant No. 2013CB932804), the National Natural Science Foundation of China (Grant Nos. 91227115, 11421063, 11504431, and 21503275), the Fundamental Research Funds for Central Universities of China (Grant No. 15CX02025A), and the Application Research Foundation for Post-doctoral Scientists of Qingdao City, China (Grant No. T1404096).

Dantrolene, a therapeutic agent for malignant hyperthermia, markedly improves the function of failing cardiomyocytes by stabilizing inter-domain interactions within the ryanodine receptor

PubMed Central

Kobayashi, Shigeki; Yano, Masafumi; Suetomi, Takeshi; Ono, Makoto; Tateishi, Hiroki; Mochizuki, Mamoru; Xu, Xiaojuan; Uchinoumi, Hitoshi; Okuda, Shinichi; Yamamoto, Takeshi; Koseki, Noritaka; Kyushiki, Hiroyuki; Ikemoto, Noriaki; Matsuzaki, Masunori

2009-01-01

Objectives To investigate the effect of dantrolene, a drug generally used to treat Malignant Hyperthermia (MH), on the Ca2+ release and cardiomyocyte function in failing hearts. Background The N-terminal (N: 1-600) and Central (C: 2000-2500) domains of the ryanodine receptor (RyR), harbor many mutations associated with MH in skeletal muscle RyR (RyR1) and polymorphic ventricular tachycardia in cardiac RyR (RyR2). There is strong evidence that inter-domain interaction between these regions plays an important role in the mechanism of channel regulation. Methods Sarcoplasmic reticulum (SR) vesicles and cardiomyocytes were isolated from dog LV muscles (normal or rapid ventricular pacing for 4 weeks), for Ca2+ leak, transient, and spark assays. To assess the zipped or unzipped state of the interacting domains, the RyR was fluorescently labeled with methylcoumarin acetate in a site-directed manner. We employed a quartz-crystal microbalance technique to identify the dantrolene binding site within the RyR2. Results Dantrolene specifically bound to domain 601-620 in RyR2. In the SR isolated from pacing-induced dog failing hearts, the defective inter-domain interaction_(domain unzipping) has already occurred, causing spontaneous Ca2+ leak. Dantrolene suppressed both domain unzipping and the Ca2+ leak, showing identical drug concentration-dependence (IC50=0.3 μmol/L). In failing cardiomyocytes, both diastolic Ca2+ sparks and delayed afterdepolarization were frequently observed, but 1 μmol/L dantrolene inhibited both events. Conclusions Dantrolene corrects defective inter-domain interactions within RyR2 in failing hearts, inhibits spontaneous Ca2+ leak, in turn improves cardiomyocyte function in failing hearts. Thus, dantrolene may have a potential to treat heart failure, specifically targeting the RyR2. PMID:19460614

Optical Properties of Plasmonic Nanostructures for Bio-Imaging and Bio-Sensing Applications

NASA Astrophysics Data System (ADS)

Kravets, Vira V.

Kravets, Vira V. (Ph.D., Physics). Optical properties of plasmonic nanostructures for bio-imaging and bio-sensing applications. Dissertation directed by Associate Professor Anatoliy Pinchuk. ABSTRACT. This dissertation explores the physics of free electron excitations in gold nanoparticle chains, silver nanoparticle colloids, and thin gold films. Electron excitations in nanostructures (surface plasmons, SP) are responsible for unique optical properties, which are applied in bio-sensing and bio-imaging applications. For gold nanoparticle chains, the effect of SP on resonance light absorption was studied experimentally and theoretically. Mainly, how the spectral position of the absorption peak depends on inter-particle distances. This dependence is used in “molecular rulers”, providing spatial resolution below the Rayleigh limit. The underlying theory is based on particle interaction via scattered dipole fields. Often in literature only the near-field component of the scattered field is considered. Here, I show that middle and far fields should not be neglected for calculation of extinction by particle chains. In silver nanoparticles, SP excitations produce two independent effects: (a) the intrinsic fluorescence of the particles, and (b) the enhancement of a molecule’s fluorescence by a particle’s surface. The mechanism of (a) is deduced by studying how fluorescence depends on particle size. For (b), I show that fluorescence of a dye molecule on the surface of a nanoparticle is enhanced, when compared to that of the free-standing dye. I demonstrate that the dye’s fluorescent quantum yield is dependent on the particle’s size, making labeled silver nanoparticles attractive candidates as bio-imaging agents. Labeled nanoparticles are applied to cell imaging, and their bio-compatibility with two cell lines is evaluated here. Finally, in gold films under attenuated total internal reflection (ATR) conditions, the SP create a propagating wave (SP-polariton, SPP) when coupled with the incident light. Because of the sensitivity of SPPs to the medium adjacent to the gold film surface, they are widely applied in bio-sensing applications. A toolbox for the description of sputter-deposited gold films is presented here: it employs three experimental techniques (ATR, transmittance and atomic force microscopy) in combination with the effective medium theory for double-layered film model. Our findings have allowed for the avoidance of superficial fitting parameters in our model.

Switching between attractive and repulsive Coulomb-interaction-mediated drag in an ambipolar GaAs/AlGaAs bilayer device

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

Zheng, B.; Croxall, A. F.; Waldie, J., E-mail: jw353@cam.ac.uk

2016-02-08

We present measurements of Coulomb drag in an ambipolar GaAs/AlGaAs double quantum well structure that can be configured as both an electron-hole bilayer and a hole-hole bilayer, with an insulating barrier of only 10 nm between the two quantum wells. Coulomb drag resistivity is a direct measure of the strength of interlayer particle-particle interactions. We explore the strongly interacting regime of low carrier densities (2D interaction parameter r{sub s} up to 14). Our ambipolar device design allows a comparison between the effects of the attractive electron-hole and repulsive hole-hole interactions and also shows the effects of the different effective masses ofmore » electrons and holes in GaAs.« less

Formation of gyrotropic and non gyrotropic field-aligned beams in the Earth's quasi-perpendicular Ion Foreshock: Full-particle 2D simulation results

NASA Astrophysics Data System (ADS)

Savoini, P.; Lembege, B.

2013-12-01

The ion foreshock located upstream of the Earth's bow shock is populated with ions reflected back by the shock front with an high energy gain. In-situ spacecraft measurements have clearly established the existence of two distinct populations in the foreshock upstream of quasi-perpendicular shock region (i.e. for 45° ≤ ΘBn≤ 90°, where ΘBn is the angle between the shock normal and the upstream magnetostatic field): (i) field-aligned (';FAB') ion beams characterized by a gyrotropic distribution, and (ii) gyro-phase bunched (';GPB') ions characterized by a NON gyrotropic distribution, which exhibits a non-vanishing perpendicular bulk velocity. The purpose of the present work is to identify the possible sources of the different backstreaming ions and is based on the use of 2D PIC simulations of a curved shock, where full curvature effects, time of flight effects and both electrons and ions dynamics are fully described by a self consistent approach. Our analysis evidences that the two populations mentionned above may have different origins identified both in terms of interaction time and distance of penetration within the shock front. In particular, ours simulations evidence that "GPB" and ';FAB' populations are characterized by a short (Δinter= 1 to 2 tci) and much larger (Δinter= 1 to 10 tci) interaction time respectively, where τci is the ion upstream gyroperiod. In addition, a deeper statistical analysis of ion trajectories evidences that: (i) both populations can be discriminated in terms of injection angle into the shock front (i.e. defined between the local normal to the shock front and the gyration velocity vector at the time ions reach the front). Such a behavior explains how reflected ions can be splitted in the observed two populations "FAB" and "GPB". (ii) ion trajectories strongly differ between the "FAB" and "GPB" populations at the shock front. In particular, ';FAB' ions suffer multi-bounces whereas ';GPB '; ions make only one bounce. Such differences can explain why the ';FAB' population loses their gyro-phase coherency and become gyrotropic which is not the case for the "GPB". As evidenced by these simulations the origin of both populations can be associated directly to their interaction with the shock front itself and do not require any upstream instability which can be another source for such backstreaming ions.

Inter-domain cross-talk controls the NifA protein activity of Herbaspirillum seropedicae.

PubMed

Monteiro, R A; de Souza, E M; Wassem, R; Yates, M G; Pedrosa, F O; Chubatsu, L S

2001-11-09

Herbaspirillum seropedicae is an endophytic diazotroph, which colonizes sugar cane, wheat, rice and maize. The activity of NifA, a transcriptional activator of nif genes in H. seropedicae, is controlled by ammonium ions through a mechanism involving its N-terminal domain. Here we show that this domain interacts specifically in vitro with the N-truncated NifA protein, as revealed by protection against proteolysis, and this interaction caused an inhibitory effect on both the ATPase and DNA-binding activities of the N-truncated NifA protein. We suggest that the N-terminal domain inhibits NifA-dependent transcriptional activation by an inter-domain cross-talk between the catalytic domain of the NifA protein and its regulatory N-terminal domain in response to fixed nitrogen.

Microstructure, Mechanical Properties, and Two-Body Abrasive Wear Behavior of Cold-Sprayed 20 vol.% Cubic BN-NiCrAl Nanocomposite Coating

NASA Astrophysics Data System (ADS)

Luo, Xiao-Tao; Yang, Er-Juan; Shang, Fu-Lin; Yang, Guan-Jun; Li, Chen-Xin; Li, Chang-Jiu

2014-10-01

20 vol.% cubic boron nitride (cBN) dispersoid reinforced NiCrAl matrix nanocomposite coating was prepared by cold spray using mechanically alloyed nanostructured composite powders. The as-sprayed nanocomposite coating was annealed at a temperature of 750 °C to enhance the inter-particle bonding. Microstructure of spray powders and coatings was characterized. Vickers microhardness of the coatings was measured. Two-body abrasive wear behavior of the coatings was examined on a pin-on-disk test. It was found that, in mechanically alloyed composite powders, nano-sized and submicro-sized cBN particles are uniformly distributed in nanocrystalline NiCrAl matrix. Dense coating was deposited by cold spray at a gas temperature of 650 °C with the same phases and grain size as those of the starting powder. Vickers hardness test yielded a hardness of 1063 HV for the as-sprayed 20 vol.% cBN-NiCrAl coating. After annealed at 750 °C for 5 h, unbonded inter-particle boundaries were partially healed and evident grain growth of nanocrystalline NiCrAl was avoided. Wear resistance of the as-sprayed 20 vol.% cBN-NiCrAl nanocomposite coating was comparable to the HVOF-sprayed WC-12Co coating. Annealing of the nanocomposite coating resulted in the improvement of wear resistance by a factor of ~33% owing to the enhanced inter-particle bonding. Main material removal mechanisms during the abrasive wear are also discussed.

Domain size polydispersity effects on the structural and dynamical properties in lipid monolayers with phase coexistence

NASA Astrophysics Data System (ADS)

Rufeil-Fiori, Elena; Banchio, Adolfo J.

Lipid monolayers with phase coexistence are a frequently used model for lipid membranes. In these systems, domains of the liquid-condensed phase always present size polydispersity. However, very few theoretical works consider size distribution effects on the monolayer properties. Because of the difference in surface densities, domains have excess dipolar density with respect to the surrounding liquid expanded phase, originating a dipolar inter-domain interaction. This interaction depends on the domain area, and hence the presence of a domain size distribution is associated with interaction polydispersity. Inter-domain interactions are fundamental to understanding the structure and dynamics of the monolayer. For this reason, it is expected that polydispersity significantly alters monolayer properties. By means of Brownian dynamics simulations, we study the radial distribution function (RDF), the average mean square displacement and the average time-dependent self-diffusion coefficient, D(t), of lipid monolayers with normal distributed size domains. It was found that polydispersity strongly affects the value of the interaction strength obtained, which is greatly underestimated if polydispersity is not considered. However, within a certain range of parameters, the RDF obtained from a polydisperse model can be well approximated by that of a monodisperse model, suitably fitting the interaction strength, even for 40% polydispersities. For small interaction strengths or small polydispersities, the polydisperse systems obtained from fitting the experimental RDF have an average mean square displacement and D(t) in good agreement with that of the monodisperse system.

Unraveling protein-protein interactions in clathrin assemblies via atomic force spectroscopy.

PubMed

Jin, Albert J; Lafer, Eileen M; Peng, Jennifer Q; Smith, Paul D; Nossal, Ralph

2013-03-01

Atomic force microscopy (AFM), single molecule force spectroscopy (SMFS), and single particle force spectroscopy (SPFS) are used to characterize intermolecular interactions and domain structures of clathrin triskelia and clathrin-coated vesicles (CCVs). The latter are involved in receptor-mediated endocytosis (RME) and other trafficking pathways. Here, we subject individual triskelia, bovine-brain CCVs, and reconstituted clathrin-AP180 coats to AFM-SMFS and AFM-SPFS pulling experiments and apply novel analytics to extract force-extension relations from very large data sets. The spectroscopic fingerprints of these samples differ markedly, providing important new information about the mechanism of CCV uncoating. For individual triskelia, SMFS reveals a series of events associated with heavy chain alpha-helix hairpin unfolding, as well as cooperative unraveling of several hairpin domains. SPFS of clathrin assemblies exposes weaker clathrin-clathrin interactions that are indicative of inter-leg association essential for RME and intracellular trafficking. Clathrin-AP180 coats are energetically easier to unravel than the coats of CCVs, with a non-trivial dependence on force-loading rate. Published by Elsevier Inc.

Interactions between meteoric smoke particles and the stratospheric aerosol layer

NASA Astrophysics Data System (ADS)

Mann, G. W.; Marshall, L.; Brooke, J. S. A.; Dhomse, S.; Plane, J. M. C.; Feng, W.; Neely, R.; Bardeen, C.; Bellouin, N.; Dalvi, M.; Johnson, C.; Abraham, N. L.; Schmidt, A.; Carslaw, K. S.; Chipperfield, M.; Deshler, T.; Thomason, L. W.

2017-12-01

In-situ measurements in the Arctic, Antarctic and at mid-latitudes suggest a widespread presence of meteoric smoke particles (MSPs), as an inclusion within a distinct class of stratospheric aerosol particles. We apply the UM-UKCA stratosphere-troposphere composition-climate model, with interactive aerosol microphysics, to map the global distribution of these "meteoric-sulphuric particles" and explore the implications of their presence. Comparing to balloon-borne stratospheric aerosol measurements, we indirectly constrain the uncertain MSP flux into the upper mesosphere, and assess whether meteoric inclusion can explain observed refractory/non-volatile particle concentrations. Our experiments suggest meteoric-sulphuric particles are present at all latitudes, the Junge layer transitioning from mostly homogeneously nucleated particles at the bottom, to mostly meteoric-sulphuric particles at the top. We find MSPs exert a major influence on the quiescent Junge layer, with meteoric-sulphuric particles generally bigger than homogeneously nucleated particles, and therefore more rapidly removed into the upper troposphere. Resolving the smoke interactions weakens homogeneous nucleation in polar spring, reduces the quiescent sulphur burden, and improves comparisons to a range of different stratospheric aerosol measurements. The refractory nature of meteoric-sulphuric particles also means they "survive" ascent through the uppermost Junge layer, whereas homogeneously nucleated particles evaporate completely. Simulations through the Pinatubo-perturbed period are more realistic, with greater volcanic enhancement of effective radius, causing faster decay towards quiescent conditions, both effects matching better with observations. Overall, our experiments suggest meteoric-sulphuric particles are an important component of the Junge layer, strongly influential in both quiescent and volcanically perturbed conditions.

Anatomical connectivity influences both intra- and inter-brain synchronizations.

PubMed

Dumas, Guillaume; Chavez, Mario; Nadel, Jacqueline; Martinerie, Jacques

2012-01-01

Recent development in diffusion spectrum brain imaging combined to functional simulation has the potential to further our understanding of how structure and dynamics are intertwined in the human brain. At the intra-individual scale, neurocomputational models have already started to uncover how the human connectome constrains the coordination of brain activity across distributed brain regions. In parallel, at the inter-individual scale, nascent social neuroscience provides a new dynamical vista of the coupling between two embodied cognitive agents. Using EEG hyperscanning to record simultaneously the brain activities of subjects during their ongoing interaction, we have previously demonstrated that behavioral synchrony correlates with the emergence of inter-brain synchronization. However, the functional meaning of such synchronization remains to be specified. Here, we use a biophysical model to quantify to what extent inter-brain synchronizations are related to the anatomical and functional similarity of the two brains in interaction. Pairs of interacting brains were numerically simulated and compared to real data. Results show a potential dynamical property of the human connectome to facilitate inter-individual synchronizations and thus may partly account for our propensity to generate dynamical couplings with others.

A new method for measuring lung deposition efficiency of airborne nanoparticles in a single breath

NASA Astrophysics Data System (ADS)

Jakobsson, Jonas K. F.; Hedlund, Johan; Kumlin, John; Wollmer, Per; Löndahl, Jakob

2016-11-01

Assessment of respiratory tract deposition of nanoparticles is a key link to understanding their health impacts. An instrument was developed to measure respiratory tract deposition of nanoparticles in a single breath. Monodisperse nanoparticles are generated, inhaled and sampled from a determined volumetric lung depth after a controlled residence time in the lung. The instrument was characterized for sensitivity to inter-subject variability, particle size (22, 50, 75 and 100 nm) and breath-holding time (3-20 s) in a group of seven healthy subjects. The measured particle recovery had an inter-subject variability 26-50 times larger than the measurement uncertainty and the results for various particle sizes and breath-holding times were in accordance with the theory for Brownian diffusion and values calculated from the Multiple-Path Particle Dosimetry model. The recovery was found to be determined by residence time and particle size, while respiratory flow-rate had minor importance in the studied range 1-10 L/s. The instrument will be used to investigate deposition of nanoparticles in patients with respiratory disease. The fast and precise measurement allows for both diagnostic applications, where the disease may be identified based on particle recovery, and for studies with controlled delivery of aerosol-based nanomedicine to specific regions of the lungs.

4-[(1-Benzyl-1H-1,2,3-triazol-4-yl)meth-oxy]benzene-1,2-dicarbo-nitrile: crystal structure, Hirshfeld surface analysis and energy-minimization calculations.

PubMed

Shamsudin, Norzianah; Tan, Ai Ling; Young, David J; Jotani, Mukesh M; Otero-de-la-Roza, A; Tiekink, Edward R T

2016-04-01

In the solid state, the title compound, C18H13N5O, adopts a conformation whereby the phenyl ring and meth-oxy-benzene-1,2-dicarbo-nitrile residue (r.m.s. deviation of the 12 non-H atoms = 0.041 Å) lie to opposite sides of the central triazolyl ring, forming dihedral angles of 79.30 (13) and 64.59 (10)°, respectively; the dihedral angle between the outer rings is 14.88 (9)°. This conformation is nearly 7 kcal mol(-1) higher in energy than the energy-minimized structure which has a syn disposition of the outer rings, enabling intra-molecular π-π inter-actions. In the crystal, methyl-ene-C-H⋯N(triazol-yl) and carbo-nitrile-N⋯π(benzene) inter-actions lead to supra-molecular chains along the a axis. Supra-molecular layers in the ab plane arise as the chains are connected by benzene-C-H⋯N(carbo-nitrile) inter-actions; layers stack with no directional inter-actions between them. The specified inter-molecular contacts along with other, weaker contributions to the supra-molecular stabilization are analysed in a Hirshfeld surface analysis.

Smoked marijuana effects on tobacco cigarette smoking behavior.

PubMed

Kelly, T H; Foltin, R W; Rose, A J; Fischman, M W; Brady, J V

1990-03-01

The effects of marijuana smoke exposure on several measures of tobacco cigarette smoking behavior were examined. Eight healthy adult male volunteers, who smoked both tobacco and marijuana cigarettes, participated in residential studies, lasting 10 to 15 days, designed to measure the effects of marijuana smoke exposure on a range of behavioral variables. Tobacco cigarettes were available throughout the day (9:00 A.M. until midnight). Each day was divided into a private period (9:00 A.M. to 5:00 P.M.), during which subjects were socially isolated, and a social period (5:00 P.M. to midnight), during which subjects could interact. Under blind conditions, subjects smoked placebo and active marijuana cigarettes (0%, 1.3%, 2.3%, or 2.7% delta 9-tetrahydrocannabinol) four times daily (9:45 A.M., 1:30 P.M., 5:00 P.M. and 8:30 P.M.). Each subject was exposed to both placebo and one active dose over 2- to 5-consecutive-day intervals, and dose conditions (i.e., placebo or active) alternated throughout the study. Active marijuana smoking significantly decreased the number of daily tobacco smoking bouts, increased inter-bout intervals and decreased inter-puff intervals. Marijuana decreased the number of tobacco smoking bouts by delaying the initiation of tobacco cigarette smoking immediately after marijuana smoking, whereas decreases in inter-puff intervals were unrelated to the time of marijuana smoking. No consistent interactions between marijuana effects and social or private periods (i.e., time of day) were observed.

Small-Angle Neutron Scattering and Neutron Spin Echo Characterization of Monoclonal Antibody Self-Associations at High Concentrations

NASA Astrophysics Data System (ADS)

Yearley, Eric; Zarraga, Isidro (Dan); Godfrin, Paul (Doug); Perevozchikova, Tatiana; Wagner, Norman; Liu, Yun

2013-03-01

Concentrated therapeutic protein formulations offer numerous delivery and stability challenges. In particular, it has been found that several therapeutic proteins exhibit a large increase in viscosity as a function of concentration that may be dependent on the protein-protein interactions. Small-Angle Neutron Scattering (SANS) and Neutron Spin Echo (NSE) investigations have been performed to probe the protein-protein interactions and diffusive properties of highly concentrated MAbs. The SANS data demonstrate that the inter-particle interactions for a highly viscous MAb at high concentrations (MAb1) are highly attractive, anisotropic and change significantly with concentration while the viscosity and interactions do not differ considerably for MAb2. The NSE results furthermore indicate that MAb1 and MAb2 have strong concentration dependencies of dynamics at high Q that are correlated to the translational motion of the proteins. Finally, it has also been revealed that the individual MAb1 proteins form small clusters at high concentrations in contrast to the MAb2 proteins, which are well-dispersed. It is proposed that the formation of these clusters is the primary cause of the dramatic increase in viscosity of MAb1 in crowded or concentrated environments.

Peculiarities of biological action of hadrons of space radiation.

PubMed

Akoev, I G; Yurov, S S

1975-01-01

Biological investigations in space enable one to make a significant contribution on high-energy hadrons to biological effects under the influence of factors of space flights. Physical and molecular principles of the action of high-energy hadrons are analysed. Genetic and somatic hadron effects produced by the secondary radiation from 70 GeV protons have been studied experimentally. The high biological effectiveness of hadrons, great variability in biological effects, and specifically of their action, are associated with strong interactions of high-energy hadrons. These are the probability of nuclear interaction with any atom nucleus, generation of a great number of secondary particles (among them, probably, highly effective multicharged and heavy nuclei, antiprotons, pi(-)-mesons), and the spatial distribution of secondary particles as a narrow cone with extremely high density of particles in its first part. The secondary radiation generated by high- and superhigh-energy hadrons upon their interaction with the spaceship is likely to be the greatest hazard of radiation to the crew during space flights.

Modeling coupled nanoparticle aggregation and transport in porous media: A Lagrangian approach

NASA Astrophysics Data System (ADS)

Taghavy, Amir; Pennell, Kurt D.; Abriola, Linda M.

2015-01-01

Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media.

Modeling coupled nanoparticle aggregation and transport in porous media: a Lagrangian approach.

PubMed

Taghavy, Amir; Pennell, Kurt D; Abriola, Linda M

2015-01-01

Changes in nanoparticle size and shape due to particle-particle interactions (i.e., aggregation or agglomeration) may significantly alter particle mobility and retention in porous media. To date, however, few modeling studies have considered the coupling of transport and particle aggregation processes. The majority of particle transport models employ an Eulerian modeling framework and are, consequently, limited in the types of collisions and aggregate sizes that can be considered. In this work, a more general Lagrangian modeling framework is developed and implemented to explore coupled nanoparticle aggregation and transport processes. The model was verified through comparison of model simulations to published results of an experimental and Eulerian modeling study (Raychoudhury et al., 2012) of carboxymethyl cellulose (CMC)-modified nano-sized zero-valent iron particle (nZVI) transport and retention in water-saturated sand columns. A model sensitivity analysis reveals the influence of influent particle concentration (ca. 70 to 700 mg/L), primary particle size (10-100 nm) and pore water velocity (ca. 1-6 m/day) on particle-particle, and, consequently, particle-collector interactions. Model simulations demonstrate that, when environmental conditions promote particle-particle interactions, neglecting aggregation effects can lead to under- or over-estimation of nanoparticle mobility. Results also suggest that the extent to which higher order particle-particle collisions influence aggregation kinetics will increase with the fraction of primary particles. This work demonstrates the potential importance of time-dependent aggregation processes on nanoparticle mobility and provides a numerical model capable of capturing/describing these interactions in water-saturated porous media. Copyright © 2014 Elsevier B.V. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Observational physics of mirror world

NASA Technical Reports Server (NTRS)

Khlopov, M. YA.; Beskin, G. M.; Bochkarev, N. E.; Pustilnik, L. A.; Pustilnik, S. A.

1989-01-01

The existence of the whole world of shadow particles, interacting with each other and having no mutual interactions with ordinary particles except gravity is a specific feature of modern superstring models, being considered as models of the theory of everything. The presence of shadow particles is the necessary condition in the superstring models, providing compensation of the asymmetry of left and right chirality states of ordinary particles. If compactification of additional dimensions retains the symmetry of left and right states, shadow world turns to be the mirror one, with particles and fields having properties strictly symmetrical to the ones of corresponding ordinary particles and fields. Owing to the strict symmetry of physical laws for ordinary and mirror particles, the analysis of cosmological evolution of mirror matter provides rather definite conclusions on possible effects of mirror particles in the universe. A general qualitative discussion of possible astronomical impact of mirror matter is given, in order to make as wide as possible astronomical observational searches for the effects of mirror world, being the unique way to test the existence of mirror partners of ordinary particles in the Nature.

Microbeam studies of the sensitivity of structures within living cells

NASA Technical Reports Server (NTRS)

Braby, L. A.

1992-01-01

Determining the biological effects of low doses of radiation with high linear energy transfer (LET) is complicated by the stochastic nature of charged-particle interactions. Populations of cells exposed to very low radiation doses contain a few cells which have been hit by a charged particle, while the majority of the cells receive no radiation damage. At somewhat higher doses, a few cells receive two or more events. Because the effects of damage produced by separate events can interact in the cell, we have had to make assumptions about the nature of these interactions in order to interpret the results of the experiments. Many of those assumptions can be tested if we can be sure of the number of charged-particle events which occur in individual cells, and correlate this number with the biological effect. We have developed a special irradiation facility at Pacific Northwest Laboratory (PNL) to control the actual number of charged particle tracks that pass through cell nuclei. The beam from a 2 MeV tandem accelerator is collimated to approximately 5 microns. Cells, grown in special dishes with 1.5 microns thick plastic bottoms, are positioned so that the desired portion of the cell aligns with the collimator. A shutter in the beam line is opened and closed after the desired number of particle tracks has been counted. This approach can be used to investigate the effects of the interaction between irradiated and unirradiated cells in an organized system, as well as to study the effects of spatial and temporal distribution of radiation damage within single cells.(ABSTRACT TRUNCATED AT 250 WORDS).

The effect of side motion in the dynamics of interacting molecular motors

NASA Astrophysics Data System (ADS)

Midha, Tripti; Gupta, Arvind Kumar; Kolomeisky, Anatoly B.

2017-07-01

To mimic the collective motion of interacting molecular motors, we propose and discuss an open two-lane symmetrically coupled interactive TASEP model that incorporates interaction in the thermodynamically consistent fashion. We study the effect of both repulsive and attractive interaction on the system’s dynamical properties using various cluster mean field analysis and extensive Monte Carlo simulations. The interactions bring correlations into the system, which were found to be reduced due to the side motion of particles. We produce the steady-state phase diagrams for symmetrically split interaction strength. The behavior of the maximal particle current with respect to the interaction energy E is analyzed for different coupling rates and interaction splittings. The results suggest that for strong coupling and large splittings, the maximal flow of the motors occurs at a weak attractive interaction strength which matches with the known experimental results on kinesin motor protein.

Effect of wet grinding on structural properties of ball clay

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

Purohit, A., E-mail: anuradha.purohit34@gmail.com; Chander, S.; Dhaka, M. S.

2015-05-15

In this paper, the effect of wet grinding on structural properties of ball clay is undertaken. The wet grinding treatment was performed employing ball and vibro mills for different time spells of 2, 4, 8 and 16 hours. The structural properties were carried out using X-ray diffraction (XRD). The structure of ground samples is found to be simple cubic. The crystallographic parameters are calculated and slight change in lattice constant, inter planner spacing and particle size is observed with grinding treatment. The results are in agreement with the available literature.

Behavioral evidence for inter-hemispheric cooperation during a lexical decision task: a divided visual field experiment.

PubMed

Perrone-Bertolotti, Marcela; Lemonnier, Sophie; Baciu, Monica

2013-01-01

HIGHLIGHTSThe redundant bilateral visual presentation of verbal stimuli decreases asymmetry and increases the cooperation between the two hemispheres.The increased cooperation between the hemispheres is related to semantic information during lexical processing.The inter-hemispheric interaction is represented by both inhibition and cooperation. This study explores inter-hemispheric interaction (IHI) during a lexical decision task by using a behavioral approach, the bilateral presentation of stimuli within a divided visual field experiment. Previous studies have shown that compared to unilateral presentation, the bilateral redundant (BR) presentation decreases the inter-hemispheric asymmetry and facilitates the cooperation between hemispheres. However, it is still poorly understood which type of information facilitates this cooperation. In the present study, verbal stimuli were presented unilaterally (left or right visual hemi-field successively) and bilaterally (left and right visual hemi-field simultaneously). Moreover, during the bilateral presentation of stimuli, we manipulated the relationship between target and distractors in order to specify the type of information which modulates the IHI. Thus, three types of information were manipulated: perceptual, semantic, and decisional, respectively named pre-lexical, lexical and post-lexical processing. Our results revealed left hemisphere (LH) lateralization during the lexical decision task. In terms of inter-hemisphere interaction, the perceptual and decision-making information increased the inter-hemispheric asymmetry, suggesting the inhibition of one hemisphere upon the other. In contrast, semantic information decreased the inter-hemispheric asymmetry, suggesting cooperation between the hemispheres. We discussed our results according to current models of IHI and concluded that cerebral hemispheres interact and communicate according to various excitatory and inhibitory mechanisms, all which depend on specific processes and various levels of word processing.

Behavioral evidence for inter-hemispheric cooperation during a lexical decision task: a divided visual field experiment

PubMed Central

Perrone-Bertolotti, Marcela; Lemonnier, Sophie; Baciu, Monica

2013-01-01

HIGHLIGHTS The redundant bilateral visual presentation of verbal stimuli decreases asymmetry and increases the cooperation between the two hemispheres.The increased cooperation between the hemispheres is related to semantic information during lexical processing.The inter-hemispheric interaction is represented by both inhibition and cooperation. This study explores inter-hemispheric interaction (IHI) during a lexical decision task by using a behavioral approach, the bilateral presentation of stimuli within a divided visual field experiment. Previous studies have shown that compared to unilateral presentation, the bilateral redundant (BR) presentation decreases the inter-hemispheric asymmetry and facilitates the cooperation between hemispheres. However, it is still poorly understood which type of information facilitates this cooperation. In the present study, verbal stimuli were presented unilaterally (left or right visual hemi-field successively) and bilaterally (left and right visual hemi-field simultaneously). Moreover, during the bilateral presentation of stimuli, we manipulated the relationship between target and distractors in order to specify the type of information which modulates the IHI. Thus, three types of information were manipulated: perceptual, semantic, and decisional, respectively named pre-lexical, lexical and post-lexical processing. Our results revealed left hemisphere (LH) lateralization during the lexical decision task. In terms of inter-hemisphere interaction, the perceptual and decision-making information increased the inter-hemispheric asymmetry, suggesting the inhibition of one hemisphere upon the other. In contrast, semantic information decreased the inter-hemispheric asymmetry, suggesting cooperation between the hemispheres. We discussed our results according to current models of IHI and concluded that cerebral hemispheres interact and communicate according to various excitatory and inhibitory mechanisms, all which depend on specific processes and various levels of word processing. PMID:23818879

Particle size and particle-particle interactions on tensile properties and reinforcement of corn flour particles in natural rubber

USDA-ARS?s Scientific Manuscript database

Renewable corn flour has a significant reinforcement effect in natural rubber. The corn flour was hydrolyzed and microfluidized to reduce its particle size. Greater than 90% of the hydrolyzed corn flour had an average size of ~300 nm, a reduction of 33 times compared to unhydrolyzed corn flour. Comp...

Polymorphisms in genes involved in fatty acid β-oxidation interact with dietary fat intakes to modulate the plasma TG response to a fish oil supplementation.

PubMed

Bouchard-Mercier, Annie; Rudkowska, Iwona; Lemieux, Simone; Couture, Patrick; Vohl, Marie-Claude

2014-03-18

A large inter-individual variability in the plasma triglyceride (TG) response to an omega-3 polyunsaturated fatty acid (n-3 PUFA) supplementation has been observed. The objective was to examine gene-diet interaction effects on the plasma TG response after a fish oil supplementation, between single-nucleotide polymorphisms (SNPs) within genes involved in fatty acid β-oxidation and dietary fat intakes. Two hundred and eight (208) participants were recruited in the greater Quebec City area. The participants completed a six-week fish oil supplementation (5 g fish oil/day: 1.9-2.2 g EPA and 1.1 g DHA). Dietary fat intakes were measured using three-day food records. SNPs within RXRA, CPT1A, ACADVL, ACAA2, ABCD2, ACOX1 and ACAA1 genes were genotyped using TAQMAN methodology. Gene-diet interaction effects on the plasma TG response were observed for SNPs within RXRA (rs11185660, rs10881576 and rs12339187) and ACOX1 (rs17583163) genes. For rs11185660, fold changes in RXRA gene expression levels were different depending on SFA intakes for homozygotes T/T. Gene-diet interaction effects of SNPs within genes involved in fatty acid β-oxidation and dietary fat intakes may be important in understanding the inter-individual variability in plasma TG levels and in the plasma TG response to a fish oil supplementation.

Electron Beam Transport in the Ionosphere - Energy Deposition and Optical Emissions Based upon the Combined Effects of Plasma Turbulence and Particle-Particle Interactions.

DTIC Science & Technology

1982-02-01

function of both E, and an auto- correlation time :. We choose to replace E, by an expression containing v, the velocity spread of the beam...f’K or eEL ArGC - ’ (5) where E,_ is now the perpendicular component of the turbulent E field and , is the time int-erval for a coherent interaction...the auto-correlation time ). Equation (5) is the basis for our random walk model for wave particle interactions. It can also be derived using the tX

The Compact and Biologically Relevant Structure of Inter-α-inhibitor Is Maintained by the Chondroitin Sulfate Chain and Divalent Cations.

PubMed

Scavenius, Carsten; Nikolajsen, Camilla Lund; Stenvang, Marcel; Thøgersen, Ida B; Wyrożemski, Łukasz; Wisniewski, Hans-Georg; Otzen, Daniel E; Sanggaard, Kristian W; Enghild, Jan J

2016-02-26

Inter-α-inhibitor is a proteoglycan of unique structure. The protein consists of three subunits, heavy chain 1, heavy chain 2, and bikunin covalently joined by a chondroitin sulfate chain originating at Ser-10 of bikunin. Inter-α-inhibitor interacts with an inflammation-associated protein, tumor necrosis factor-inducible gene 6 protein, in the extracellular matrix. This interaction leads to transfer of the heavy chains from the chondroitin sulfate of inter-α-inhibitor to hyaluronan and consequently to matrix stabilization. Divalent cations and heavy chain 2 are essential co-factors in this transfer reaction. In the present study, we have investigated how divalent cations in concert with the chondroitin sulfate chain influence the structure and stability of inter-α-inhibitor. The results showed that Mg(2+) or Mn(2+), but not Ca(2+), induced a conformational change in inter-α-inhibitor as evidenced by a decrease in the Stokes radius and a bikunin chondroitin sulfate-dependent increase of the thermodynamic stability. This structure was shown to be essential for the ability of inter-α-inhibitor to participate in extracellular matrix stabilization. In addition, the data revealed that bikunin was positioned adjacent to both heavy chains and that the two heavy chains also were in close proximity. The chondroitin sulfate chain interacted with all protein components and inter-α-inhibitor dissociated when it was degraded. Conventional purification protocols result in the removal of the Mg(2+) found in plasma and because divalent cations influence the conformation and affect function it is important to consider this when characterizing the biological activity of inter-α-inhibitor. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

Two interacting Hofstadter butterflies

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

Barelli, A.; Bellissard, J.; Jacquod, P.

1997-04-01

The problem of two interacting particles in a quasiperiodic potential is addressed. Using analytical and numerical methods, we explore the spectral properties and eigenstates structure from the weak to the strong interaction case. More precisely, a semiclassical approach based on noncommutative geometry techniques is used to understand the intricate structure of such a spectrum. An interaction induced localization effect is furthermore emphasized. We discuss the application of our results on a two-dimensional model of two particles in a uniform magnetic field with on-site interaction. {copyright} {ital 1997} {ital The American Physical Society}

Computational analysis of electrical conduction in hybrid nanomaterials with embedded non-penetrating conductive particles

NASA Astrophysics Data System (ADS)

Cai, Jizhe; Naraghi, Mohammad

2016-08-01

In this work, a comprehensive multi-resolution two-dimensional (2D) resistor network model is proposed to analyze the electrical conductivity of hybrid nanomaterials made of insulating matrix with conductive particles such as CNT reinforced nanocomposites and thick film resistors. Unlike existing approaches, our model takes into account the impenetrability of the particles and their random placement within the matrix. Moreover, our model presents a detailed description of intra-particle conductivity via finite element analysis, which to the authors’ best knowledge has not been addressed before. The inter-particle conductivity is assumed to be primarily due to electron tunneling. The model is then used to predict the electrical conductivity of electrospun carbon nanofibers as a function of microstructural parameters such as turbostratic domain alignment and aspect ratio. To simulate the microstructure of single CNF, randomly positioned nucleation sites were seeded and grown as turbostratic particles with anisotropic growth rates. Particle growth was in steps and growth of each particle in each direction was stopped upon contact with other particles. The study points to the significant contribution of both intra-particle and inter-particle conductivity to the overall conductivity of hybrid composites. Influence of particle alignment and anisotropic growth rate ratio on electrical conductivity is also discussed. The results show that partial alignment in contrast to complete alignment can result in maximum electrical conductivity of whole CNF. High degrees of alignment can adversely affect conductivity by lowering the probability of the formation of a conductive path. The results demonstrate approaches to enhance electrical conductivity of hybrid materials through controlling their microstructure which is applicable not only to carbon nanofibers, but also many other types of hybrid composites such as thick film resistors.

Geometrical influence of a deposited particle on the performance of bridged carbon nanotube-based mass detectors

NASA Astrophysics Data System (ADS)

Ali-Akbari, H. R.; Ceballes, S.; Abdelkefi, A.

2017-10-01

A nonlocal continuum-based model is derived to simulate the dynamic behavior of bridged carbon nanotube-based nano-scale mass detectors. The carbon nanotube (CNT) is modeled as an elastic Euler-Bernoulli beam considering von-Kármán type geometric nonlinearity. In order to achieve better accuracy in characterization of the CNTs, the geometrical properties of an attached nano-scale particle are introduced into the model by its moment of inertia with respect to the central axis of the beam. The inter-atomic long-range interactions within the structure of the CNT are incorporated into the model using Eringen's nonlocal elastic field theory. In this model, the mass can be deposited along an arbitrary length of the CNT. After deriving the full nonlinear equations of motion, the natural frequencies and corresponding mode shapes are extracted based on a linear eigenvalue problem analysis. The results show that the geometry of the attached particle has a significant impact on the dynamic behavior of the CNT-based mechanical resonator, especially, for those with small aspect ratios. The developed model and analysis are beneficial for nano-scale mass identification when a CNT-based mechanical resonator is utilized as a small-scale bio-mass sensor and the deposited particles are those, such as proteins, enzymes, cancer cells, DNA and other nano-scale biological objects with different and complex shapes.

Control of Screening of a Charged Particle in Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun nmn; Krstic, Predrag S

2011-01-01

Individual charged particles could be trapped and confined in the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different affects at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening effect and reinstating the electrophoretic confinement.« less

Control Of Screening Of A Charged Particle In Electrolytic Aqueous Paul Trap

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

Park, Jae Hyun; Krstic, Predrag S.

2011-06-01

Individual charged particles could be trapped and confined by the combined radio-frequency and DC quadrupole electric field of an aqueous Paul trap. Viscosity of water improves confinement and extends the range of the trap parameters which characterize the stability of the trap. Electrolyte, if present in aqueous solution, may screen the charged particle and thus partially or fully suppress electrophoretic interaction with the applied filed, possibly reducing it to a generally much weaker dielectrophoretic interaction with an induced dipole. Applying molecular dynamics simulation we show that the quadrupole field has a different effect at the electrolyte ions and at muchmore » heavier charged particle, effectively eliminating the screening by electrolyte ions and reinstating the electrophoretic confinement.« less

Thermodynamic framework for compact q-Gaussian distributions

NASA Astrophysics Data System (ADS)

Souza, Andre M. C.; Andrade, Roberto F. S.; Nobre, Fernando D.; Curado, Evaldo M. F.

2018-02-01

Recent works have associated systems of particles, characterized by short-range repulsive interactions and evolving under overdamped motion, to a nonlinear Fokker-Planck equation within the class of nonextensive statistical mechanics, with a nonlinear diffusion contribution whose exponent is given by ν = 2 - q. The particular case ν = 2 applies to interacting vortices in type-II superconductors, whereas ν > 2 covers systems of particles characterized by short-range power-law interactions, where correlations among particles are taken into account. In the former case, several studies presented a consistent thermodynamic framework based on the definition of an effective temperature θ (presenting experimental values much higher than typical room temperatures T, so that thermal noise could be neglected), conjugated to a generalized entropy sν (with ν = 2). Herein, the whole thermodynamic scheme is revisited and extended to systems of particles interacting repulsively, through short-ranged potentials, described by an entropy sν, with ν > 1, covering the ν = 2 (vortices in type-II superconductors) and ν > 2 (short-range power-law interactions) physical examples. One basic requirement concerns a cutoff in the equilibrium distribution Peq(x) , approached due to a confining external harmonic potential, ϕ(x) = αx2 / 2 (α > 0). The main results achieved are: (a) The definition of an effective temperature θ conjugated to the entropy sν; (b) The construction of a Carnot cycle, whose efficiency is shown to be η = 1 -(θ2 /θ1) , where θ1 and θ2 are the effective temperatures associated with two isothermal transformations, with θ1 >θ2; (c) Thermodynamic potentials, Maxwell relations, and response functions. The present thermodynamic framework, for a system of interacting particles under the above-mentioned conditions, and associated to an entropy sν, with ν > 1, certainly enlarges the possibility of experimental verifications.

From the nonlinear Fokker-Planck equation to the Vlasov description and back: Confined interacting particles with drag

NASA Astrophysics Data System (ADS)

Plastino, A. R.; Curado, E. M. F.; Nobre, F. D.; Tsallis, C.

2018-02-01

Nonlinear Fokker-Planck equations endowed with power-law diffusion terms have proven to be valuable tools for the study of diverse complex systems in physics, biology, and other fields. The nonlinearity appearing in these evolution equations can be interpreted as providing an effective description of a system of particles interacting via short-range forces while performing overdamped motion under the effect of an external confining potential. This point of view has been recently applied to the study of thermodynamical features of interacting vortices in type II superconductors. In the present work we explore an embedding of the nonlinear Fokker-Planck equation within a Vlasov equation, thus incorporating inertial effects to the concomitant particle dynamics. Exact time-dependent solutions of the q -Gaussian form (with compact support) are obtained for the Vlasov equation in the case of quadratic confining potentials.

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces

PubMed Central

Davis, Ryan D.; Tolbert, Margaret A.

2017-01-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions. PMID:28776032

Crystal nucleation initiated by transient ion-surface interactions at aerosol interfaces.

PubMed

Davis, Ryan D; Tolbert, Margaret A

2017-07-01

Particle collisions are a common occurrence in the atmosphere, but no empirical observations exist to fully predict the potential effects of these collisions on air quality and climate projections. The current consensus of heterogeneous crystal nucleation pathways relevant to the atmosphere dictates that collisions with amorphous particles have no effect on the crystallization relative humidity (RH) of aqueous inorganic aerosols because there is no stabilizing ion-surface interaction to facilitate the formation of crystal nuclei. In contrast to this view of heterogeneous nucleation, we report laboratory observations demonstrating that collisions with hydrophobic amorphous organic aerosols induced crystallization of aqueous inorganic microdroplets at high RH, the effect of which was correlated with destabilizing water-mediated ion-specific surface interactions. These same organic aerosols did not induce crystallization once internally mixed in the droplet, pointing toward a previously unconsidered transient ion-specific crystal nucleation pathway that can promote aerosol crystallization via particle collisions.

Protein-Nanoparticle Interactions: Improving Immobilized Lytic Enzyme Activity and Surface Energy Effects

NASA Astrophysics Data System (ADS)

Downs, Emily Elizabeth

Protein-nanostructure conjugates, particularly particles, are a subject of significant interest due to changes in their fundamental behavior compared to bulk surfaces. As the size scale of nano-structured materials and proteins are on the same order of magnitude, nanomaterial properties can heavily influence how proteins adsorb and conform to the surface. Previous work has demonstrated the ability of nanoscale surfaces to modulate protein activity, conformation, and retention by modifying the particle surface curvature, morphology, and surface charge. This work has improved our understanding of the protein material interactions, but a complete understanding is still lacking. The goal of this thesis is to investigate two missing areas of understanding using two distinct systems. The first system utilizes a particle with controlled surface energy to observe the impact of surface energy on protein-particle interactions, while the second system uses a modified Listeria-specific protein to determine how protein structure and flexibility affects protein adsorption and activity on particles. Spherical, amorphous, and uniformly doped Zn-silica particles with tailored surface energies were synthesized to understand the impact of surface energy on protein adsorption behavior. Particle surface energy increased with a decrease in particle size and greater dopant concentrations. Protein adsorption and structural loss increased with both particle size and particle surface energy. Higher surface energies promoted protein-particle association and increased protein unfolding. Particle curvature and protein steric hindrance effects limited adsorption and structural loss on smaller particles. Protein surface charge heterogeneity was also found to be linked to both protein adsorption and unfolding behavior on larger particles. Greater surface charge heterogeneity led to higher adsorption concentrations and multilayer formation. These multilayers transitioned from protein-particle interactions to protein-protein interactions and were thicker with greater surface energy, which resulted in the recovery of secondary structure in the outermost layer. To help understand the impact of protein structure on nano-bio conjugate interactions, a listeria specific protein was used. This system was chosen as it has applications in the food industry in preventing bacterial contamination. The insertion of an amino acid linker between the enzymatic and binding domain of the protein improved the flexibility between domains, leading to increased adsorption, and improved activity in both cell-wall and plating assays. Additionally, linker modified protein incorporated into the silica-polymer nanocomposite showed significant activity in a real-world example of contaminated lettuce. This thesis study has isolated the impact of surface energy and protein flexibility on protein adsorption and structure. Particle surface energy affects adsorbed protein concentration and conformation. Coupled with protein surface charge, surface energy was also found to dictate multilayer thickness. The conformational flexibility of the protein was shown to help in controlling not only protein adsorption concentration but also in retaining protein activity after immobilization. Also, a controllable synthesis method for particles with adjustable surface energy, an ideal platform for studying protein-particle interactions, has been established.

Experimental investigation of aerodynamics and combustion properties of a multiple-swirler array

NASA Astrophysics Data System (ADS)

Kao, Yi-Huan

An annular combustor is one of the popular configurations of a modern gas turbine combustor. Since the swirlers are arranged as side-by-side in an annular combustor, the swirling flow interaction should be considered for the design of an annular gas turbine combustor. The focus of this dissertation is to investigate the aerodynamics and the combustion of a multiple-swirler array which features the swirling flow interaction. A coaxial counter-rotating radial-radial swirler was used in this work. The effects of confinement and dome recession on the flow field of a single swirler were conducted for understanding the aerodynamic characteristic of this swirler. The flow pattern generated by single swirler, 3-swirler array, and 5-swirler array were evaluated. As a result, the 5-swirler array was utilized in the remaining of this work. The effects of inter-swirler spacing, alignment of swirler, end wall distance, and the presence of confinement on the flow field generated by a 5-swirler array were investigated. A benchmark of aerodynamics performance was established. A phenomenological description was proposed to explain the periodically non-uniform flow pattern of a 5-swirler array. The non-reacting spray distribution measurements were following for understanding the effect of swirling flow interaction on the spray distribution issued out by a 5-swirler array. The spray distribution from a single swirler/ fuel nozzle was measured and treated as a reference. The spray distribution from a 5-swriler array was periodically non-uniform and somehow similar to what observed in the aerodynamic result. The inter-swirler spacing altered not only the topology of aerodynamics but also the flame shape of a 5-swirler array. As a result, the distribution of flame shape strongly depends on the inter-swirler spacing.

Measurement of Elongated Particle Dissolution Rates and Consequent Size/Shape Distribution Alterations in Support of Relative Potency Determinations and Human Dosimetry Model Development

EPA Science Inventory

Clearance of inhaled bio-persistent elongated particles (EPs) from the lungs and their associated translocation to pleural and other extra-pulmonary tissues involves a number of inter-related and coincidental physicochemical and physiological processes. These can result in EP dis...

Role of pseudo-turbulent stresses in shocked particle clouds and construction of surrogate models for closure

NASA Astrophysics Data System (ADS)

Sen, O.; Gaul, N. J.; Davis, S.; Choi, K. K.; Jacobs, G.; Udaykumar, H. S.

2018-05-01

Macroscale models of shock-particle interactions require closure terms for unresolved solid-fluid momentum and energy transfer. These comprise the effects of mean as well as fluctuating fluid-phase velocity fields in the particle cloud. Mean drag and Reynolds stress equivalent terms (also known as pseudo-turbulent terms) appear in the macroscale equations. Closure laws for the pseudo-turbulent terms are constructed in this work from ensembles of high-fidelity mesoscale simulations. The computations are performed over a wide range of Mach numbers ( M) and particle volume fractions (φ ) and are used to explicitly compute the pseudo-turbulent stresses from the Favre average of the velocity fluctuations in the flow field. The computed stresses are then used as inputs to a Modified Bayesian Kriging method to generate surrogate models. The surrogates can be used as closure models for the pseudo-turbulent terms in macroscale computations of shock-particle interactions. It is found that the kinetic energy associated with the velocity fluctuations is comparable to that of the mean flow—especially for increasing M and φ . This work is a first attempt to quantify and evaluate the effect of velocity fluctuations for problems of shock-particle interactions.

Role of pseudo-turbulent stresses in shocked particle clouds and construction of surrogate models for closure

NASA Astrophysics Data System (ADS)

Sen, O.; Gaul, N. J.; Davis, S.; Choi, K. K.; Jacobs, G.; Udaykumar, H. S.

2018-02-01

Macroscale models of shock-particle interactions require closure terms for unresolved solid-fluid momentum and energy transfer. These comprise the effects of mean as well as fluctuating fluid-phase velocity fields in the particle cloud. Mean drag and Reynolds stress equivalent terms (also known as pseudo-turbulent terms) appear in the macroscale equations. Closure laws for the pseudo-turbulent terms are constructed in this work from ensembles of high-fidelity mesoscale simulations. The computations are performed over a wide range of Mach numbers (M) and particle volume fractions (φ ) and are used to explicitly compute the pseudo-turbulent stresses from the Favre average of the velocity fluctuations in the flow field. The computed stresses are then used as inputs to a Modified Bayesian Kriging method to generate surrogate models. The surrogates can be used as closure models for the pseudo-turbulent terms in macroscale computations of shock-particle interactions. It is found that the kinetic energy associated with the velocity fluctuations is comparable to that of the mean flow—especially for increasing M and φ . This work is a first attempt to quantify and evaluate the effect of velocity fluctuations for problems of shock-particle interactions.

Generating a stationary infinite range tractor force via a multimode optical fibre

NASA Astrophysics Data System (ADS)

Ebongue, C. A.; Holzmann, D.; Ostermann, S.; Ritsch, H.

2017-06-01

Optical fibres confine and guide light almost unattenuated and thus convey light forces to polarizable nano-particles over very long distances. Radiation pressure forces arise from scattering of guided photons into free space while gradient forces are based on coherent scattering between different fibre modes or propagation directions. Interestingly, even scattering between co-propagating modes induces longitudinal forces as the transverse confinement of the light modes creates mode dependent longitudinal wave-vectors and photon momenta. We generalize a proven scattering matrix based approach to calculate single as well as inter-particle forces to include several forward and backward propagating modes. We show that an injection of the higher order mode only in a two mode fibre will induce a stationary tractor force against the injection direction, when the mode coupling to the lower order mode dominates against backscattering and free space losses. Generically this arises for non-absorbing particles at the centre of a waveguide. The model also gives improved predictions for inter-particle forces in evanescent nanofibre fields as experimentally observed recently. Surprisingly strong tractor forces can also act on whole optically bound arrays.

Electrohydrodynamic interactions in Quincke rotation: from pair dynamics to collective motion

NASA Astrophysics Data System (ADS)

Das, Debasish; Saintillan, David

2013-11-01

Weakly conducting dielectric particles suspended in a dielectric liquid can undergo spontaneous sustained rotation when placed in a sufficiently strong dc electric field. This phenomenon of Quincke rotation has interesting implications for the rheology of these suspensions whose effective viscosity can be reduced by application of an external field. While previous models based on the rotation of isolated particles have provided accurate estimates for this viscosity reduction in dilute suspensions discrepancies have been reported in more concentrated systems where particle-particle interactions are likely significant. Motivated by this observation we extend the classic description of Quincke rotation based on the Taylor-Melcher leaky dielectric model to account for pair electrohydrodynamic interactions between identical spheres using method of reflections. We also consider the case of spherical particles undergoing Quincke rotation next to a planar electrode, where hydrodynamic interactions with the no-slip boundary lead to a self-propelled velocity. The interactions between such Quincke rollers are analyzed, and a transition to collective motion is predicted in sufficiently dense collections of many rollers, in agreement with recent experiments.

Crystal structures of bis-(phen-oxy)silicon phthalocyanines: increasing π-π inter-actions, solubility and disorder and no halogen bonding observed.

PubMed

Lessard, Benoît H; Lough, Alan J; Bender, Timothy P

2016-07-01

We report the syntheses and characterization of three solution-processable phen-oxy silicon phthalocyanines (SiPcs), namely bis-(3-methyl-phen-oxy)(phthalocyanine)silicon [(3MP)2-SiPc], C46H30N8O2Si, bis-(2-sec-butyl-phen-oxy)(phthalocyanine)silicon [(2secBP)2-SiPc], C44H24I2N8O2Si, and bis-(3-iodo-phen-oxy)(phthalocyanine)silicon [(3IP)2-SiPc], C52H42N8O2Si. Crystals grown of these compounds were characterized by single-crystal X-ray diffraction and the π-π inter-actions between the aromatic SiPc cores were studied. It was determined that (3MP)2-SiPc has similar inter-actions to previously reported bis-(3,4,5-tri-fluoro-phen-oxy)silicon phthalocyanines [(345 F)2-SiPc] with significant π-π inter-actions between the SiPc groups. (3IP)2-SiPc and (2secBP)2-SiPc both experienced a parallel stacking of two of the peripheral aromatic groups. In all three cases, the solubility of these mol-ecules was increased by the addition of phen-oxy groups while maintaining π-π inter-actions between the aromatic SiPc groups. The solubility of (2secBP)2-SiPc was significantly higher than other bis-phen-oxy-SiPcs and this was exemplified by the higher observed disorder within the crystal structure.

Interactive Particle Visualization

NASA Astrophysics Data System (ADS)

Gribble, Christiaan P.

Particle-based simulation methods are used to model a wide range of complex phenomena and to solve time-dependent problems of various scales. Effective visualizations of the resulting state will communicate subtle changes in the three-dimensional structure, spatial organization, and qualitative trends within a simulation as it evolves. This chapter discusses two approaches to interactive particle visualization that satisfy these goals: one targeting desktop systems equipped with programmable graphics hardware, and the other targeting moderately sized multicore systems using packet-based ray tracing.

Homogeneous Media Milling: Reactant-Assisted Mechanochemical Synthesis of Functionalized Nanoparticles from Malleable and Ductile Metals

DTIC Science & Technology

2014-01-01

expected to interact weakly with the surface. Their study did not examine particles smaller than 20 μm, did not attempt to explore the effects of metal...minimizing production of additional particles. After interaction with oleic acid, the particles no longer were dispersible in acetonitrile, and...refocused onto a mercury- cadmium -telluride detector with a spectral range of 4000 cm-1 to 850 cm- 1. The sample thickness was sufficient that the

Bipolarons in one-dimensional extended Peierls-Hubbard models

NASA Astrophysics Data System (ADS)

Sous, John; Chakraborty, Monodeep; Krems, Roman; Berciu, Mona

2017-04-01

We study two particles in an infinite chain and coupled to phonons by interactions that modulate their hopping as described by the Peierls/Su-Schrieffer-Heeger (SSH) model. In the case of hard-core bare particles, we show that exchange of phonons generates effective nearest-neighbor repulsion between particles and also gives rise to interactions that move the pair as a whole. The two-polaron phase diagram exhibits two sharp transitions, leading to light dimers at strong coupling and the flattening of the dimer dispersion at some critical values of the parameters. This dimer (quasi)self-trapping occurs at coupling strengths where single polarons are mobile. On the other hand, in the case of soft-core particles/ spinfull fermions, we show that phonon-mediated interactions are attractive and result in strongly bound and mobile bipolarons in a wide region of parameter space. This illustrates that, depending on the strength of the phonon-mediated interactions and statistics of bare particles, the coupling to phonons may completely suppress or strongly enhance quantum transport of correlated particles. This work was supported by NSERC of Canada and the Stewart Blusson Quantum Matter Institute.

Quasi-relativistic electron precipitation due to interactions with coherent VLF waves in the magnetosphere

NASA Technical Reports Server (NTRS)

Chang, H. C.; Inan, U. S.

1983-01-01

The equations of motion for the cyclotron resonance interaction between coherent whistler mode waves and energetic particles are rederived with the inclusion of relativistic effects. The pitch angle scattering of the near-loss-cone quasi-relativistic electrons trapped in the magnetosphere is studied using a test particle method employing these relativistic equations, and the precipitated energy spectrum due to the wave-induced perturbations of a full distribution of particles is computed. Results show that the full width at half maximum peak width of the rms scattering pattern of the near-loss-cone particles would give an upper bound to the peak width of the associated precipitated energy spectrum under the conditions of moderate wave intensities in the low L shell region. In addition, it is found that the peak widths are within the upper limit values measured by recent satellite experiments. It is concluded that interactions of inner radiation belt particles with monochromatic waves could produce precipitated fluxes with relatively sharp spectral widths, and that therefore the L-dependent narrow peaks observed by low altitude satellite particle detectors could be caused by such interactions.

Effect of Nb Addition to Ti-Bearing Super Martensitic Stainless Steel on Control of Austenite Grain Size and Strengthening

NASA Astrophysics Data System (ADS)

Ma, Xiaoping; Langelier, Brian; Gault, Baptiste; Subramanian, Sundaresa

2017-05-01

The role of Nb in normalized and tempered Ti-bearing 13Cr5Ni2Mo super martensitic stainless steel is investigated through in-depth characterization of the bimodal chemistry and size of Nb-rich precipitates/atomic clusters and Nb in solid solution. Transmission electron microscopy and atom probe tomography are used to analyze the samples and clarify precipitates/atom cluster interactions with dislocations and austenite grain boundaries. The effect of 0.1 wt pct Nb addition on the promotion of (Ti, Nb)N-Nb(C,N) composite precipitates, as well as the retention of Nb in solution after cooling to room temperature, are analyzed quantitatively. (Ti, Nb)N-Nb(C,N) composite precipitates with average diameters of approximately 24 ± 8 nm resulting from epitaxial growth of Nb(C,N) on pre-existing (Ti,Nb)N particles, with inter-particle spacing on the order of 205 ± 68 nm, are found to be associated with mean austenite grain size of 28 ± 10 µm in the sample normalized at 1323 K (1050 °C). The calculated Zener limiting austenite grain size of 38 ± 13 µm is in agreement with the experimentally observed austenite grain size distribution. 0.08 wt pct Nb is retained in the as-normalized condition, which is able to promote Nb(C, N) atomic clusters at dislocations during tempering at 873 K (600 °C) for 2 hours, and increases the yield strength by 160 MPa, which is predicted to be close to maximum increase in strengthening effect. Retention of solute Nb before tempering also leads to it preferentially combing with C and N to form Nb(C, N) atom clusters, which suppresses the occurrence of Cr- and Mo-rich carbides during tempering.

Aggregation state and magnetic properties of magnetite nanoparticles controlled by an optimized silica coating

NASA Astrophysics Data System (ADS)

Pérez, Nicolás; Moya, C.; Tartaj, P.; Labarta, A.; Batlle, X.

2017-01-01

The control of magnetic interactions is becoming essential to expand/improve the applicability of magnetic nanoparticles (NPs). Here, we show that an optimized microemulsion method can be used to obtain homogenous silica coatings on even single magnetic nuclei of highly crystalline Fe3-xO4 NPs (7 and 16 nm) derived from a high-temperature method. We show that the thickness of this coating is controlled almost at will allowing much higher average separation among particles as compared to the oleic acid coating present on pristine NPs. Magnetic susceptibility studies show that the thickness of the silica coating allows the control of magnetic interactions. Specifically, as this effect is better displayed for the smallest particles, we show that dipole-dipole interparticle interactions can be tuned progressively for the 7 nm NPs, from almost non-interacting to strongly interacting particles at room temperature. The quantitative analysis of the magnetic properties unambiguously suggests that dipolar interactions significantly broaden the effective distribution of energy barriers by spreading the distribution of activation magnetic volumes.

Responses of reef building corals to microplastic exposure.

PubMed

Reichert, Jessica; Schellenberg, Johannes; Schubert, Patrick; Wilke, Thomas

2018-06-01

Pollution of marine environments with microplastic particles (i.e. plastic fragments <5 mm) has increased rapidly during the last decades. As these particles are mainly of terrestrial origin, coastal ecosystems such as coral reefs are particularly threatened. Recent studies revealed that microplastic ingestion can have adverse effects on marine invertebrates. However, little is known about its effects on small-polyp stony corals that are the main framework builders in coral reefs. The goal of this study is to characterise how different coral species I) respond to microplastic particles and whether the exposure might II) lead to health effects. Therefore, six small-polyp stony coral species belonging to the genera Acropora, Pocillopora, and Porites were exposed to microplastics (polyethylene, size 37-163 μm, concentration ca. 4000 particles L -1 ) over four weeks, and responses and effects on health were documented. The study showed that the corals responded differentially to microplastics. Cleaning mechanisms (direct interaction, mucus production) but also feeding interactions (i.e. interaction with mesenterial filaments, ingestion, and egestion) were observed. Additionally, passive contact through overgrowth was documented. In five of the six studied species, negative effects on health (i.e. bleaching and tissue necrosis) were reported. We here provide preliminary knowledge about coral-microplastic-interactions. The results call for further investigations of the effects of realistic microplastic concentrations on growth, reproduction, and survival of stony corals. This might lead to a better understanding of resilience capacities in coral reef ecosystems. Copyright © 2017 Elsevier Ltd. All rights reserved.

Facile fabrication of BiVO4 nanofilms with controlled pore size and their photoelectrochemical performances.

PubMed

Feng, Chenchen; Jiao, Zhengbo; Li, Shaopeng; Zhang, Yan; Bi, Yingpu

2015-12-28

We demonstrate a facile method for the rational fabrication of pore-size controlled nanoporous BiVO(4) photoanodes, and confirmed that the optimum pore-size distributions could effectively absorb visible light through light diffraction and confinement functions. Furthermore, in situ X-ray photoelectron spectroscopy (XPS) reveals more efficient photoexcited electron-hole separation than conventional particle films, induced by light confinement and rapid charge transfer in the inter-crossed worm-like structures.

On a quantum particle in laser channels

NASA Astrophysics Data System (ADS)

Dik, A. V.; Frolov, E. N.; Dabagov, S. B.

2018-02-01

In this paper the effective potential describing interaction of a scalar quantum particle with arbitrary nonuniform laser field is derived for a wide spectrum of the particle energies. The presented method allows to take into account all the features of the effective potential for a scalar particle. The derived expression for effective potential for quantum particle has the same form as the one presented earlier for a classical particle. A special case for channeling of a quantum particle as well as accompanying channeling radiation in a field formed by two crossed plane laser waves is considered. It is shown that relativistic particles moving near the laser channel bottom should be examined as quantum ones at both arbitrarily large longitudinal energies and laser fields of accessible intensities.

Random walk of passive tracers among randomly moving obstacles.

PubMed

Gori, Matteo; Donato, Irene; Floriani, Elena; Nardecchia, Ilaria; Pettini, Marco

2016-04-14

This study is mainly motivated by the need of understanding how the diffusion behavior of a biomolecule (or even of a larger object) is affected by other moving macromolecules, organelles, and so on, inside a living cell, whence the possibility of understanding whether or not a randomly walking biomolecule is also subject to a long-range force field driving it to its target. By means of the Continuous Time Random Walk (CTRW) technique the topic of random walk in random environment is here considered in the case of a passively diffusing particle among randomly moving and interacting obstacles. The relevant physical quantity which is worked out is the diffusion coefficient of the passive tracer which is computed as a function of the average inter-obstacles distance. The results reported here suggest that if a biomolecule, let us call it a test molecule, moves towards its target in the presence of other independently interacting molecules, its motion can be considerably slowed down.

Thermodynamic scaling of glassy dynamics and dynamic heterogeneities in metallic glass-forming liquid

NASA Astrophysics Data System (ADS)

Hu, Yuan-Chao; Shang, Bao-Shuang; Guan, Peng-Fei; Yang, Yong; Bai, Hai-Yang; Wang, Wei-Hua

2016-09-01

A ternary metallic glass-forming liquid is found to be not strongly correlating thermodynamically, but its average dynamics, dynamic heterogeneities including the high order dynamic correlation length, and static structure are still well described by thermodynamic scaling with the same scaling exponent γ. This may indicate that the metallic liquid could be treated as a single-parameter liquid. As an intrinsic material constant stemming from the fundamental interatomic interactions, γ is theoretically predicted from the thermodynamic fluctuations of the potential energy and the virial. Although γ is conventionally understood merely from the repulsive part of the inter-particle potentials, the strong correlation between γ and the Grüneisen parameter up to the accuracy of the Dulong-Petit approximation demonstrates the important roles of anharmonicity and attractive force of the interatomic potential in governing glass transition of metallic glassformers. These findings may shed light on how to understand metallic glass formation from the fundamental interatomic interactions.

A revisit to the temperature dependence of electrical resistivity of α - Titanium at low temperatures

NASA Astrophysics Data System (ADS)

Sharath Chandra, L. S.; Mondal, R.; Thamizhavel, A.; Dhar, S. K.; Roy, S. B.

2017-09-01

The temperature dependence of resistivity ρ(T) of a polycrystalline sample and a single crystal sample (current along the [0001] direction) of α - Titanium (Ti) at low temperatures is revisited to understand the electrical charge transport phenomena in this hexagonal closed pack metal. We show that the ρ(T) in single crystal Ti can be explained by considering the scattering of electrons due to electron-phonon, electron-electron, inter-band s-d and electron-impurity interactions, whereas the ρ(T) of polycrystalline Ti could not be explained by these interactions alone. We observed that the effects of the anisotropy of the hexagonal structure on the electronic band structure and the phonon dispersion need to be taken into account to explain ρ(T) of polycrystalline Ti. Two Debye temperatures corresponding to two different directions for the electron-phonon interactions and inter-band s-d scattering are needed to account the observed ρ(T) in polycrystalline Ti.

Forming Circumbinary Planets: N-body Simulations of Kepler-34

NASA Astrophysics Data System (ADS)

Lines, S.; Leinhardt, Z. M.; Paardekooper, S.; Baruteau, C.; Thebault, P.

2014-02-01

Observations of circumbinary planets orbiting very close to the central stars have shown that planet formation may occur in a very hostile environment, where the gravitational pull from the binary should be very strong on the primordial protoplanetary disk. Elevated impact velocities and orbit crossings from eccentricity oscillations are the primary contributors to high energy, potentially destructive collisions that inhibit the growth of aspiring planets. In this work, we conduct high-resolution, inter-particle gravity enabled N-body simulations to investigate the feasibility of planetesimal growth in the Kepler-34 system. We improve upon previous work by including planetesimal disk self-gravity and an extensive collision model to accurately handle inter-planetesimal interactions. We find that super-catastrophic erosion events are the dominant mechanism up to and including the orbital radius of Kepler-34(AB)b, making in situ growth unlikely. It is more plausible that Kepler-34(AB)b migrated from a region beyond 1.5 AU. Based on the conclusions that we have made for Kepler-34, it seems likely that all of the currently known circumbinary planets have also migrated significantly from their formation location with the possible exception of Kepler-47(AB)c.

Analytical treatment of particle motion in circularly polarized slab-mode wave fields

NASA Astrophysics Data System (ADS)

Schreiner, Cedric; Vainio, Rami; Spanier, Felix

2018-02-01

Wave-particle interaction is a key process in particle diffusion in collisionless plasmas. We look into the interaction of single plasma waves with individual particles and discuss under which circumstances this is a chaotic process, leading to diffusion. We derive the equations of motion for a particle in the fields of a magnetostatic, circularly polarized, monochromatic wave and show that no chaotic particle motion can arise under such circumstances. A novel and exact analytic solution for the equations is presented. Additional plasma waves lead to a breakdown of the analytic solution and chaotic particle trajectories become possible. We demonstrate this effect by considering a linearly polarized, monochromatic wave, which can be seen as the superposition of two circularly polarized waves. Test particle simulations are provided to illustrate and expand our analytical considerations.

Finite size of hadrons and Bose-Einstein correlations

NASA Astrophysics Data System (ADS)

Bialas, A.; Zalewski, K.

2013-11-01

It is observed that the finite size of hadrons produced in high energy collisions implies that their positions are correlated, since the probability to find two hadrons on top of each other is highly reduced. It is then shown that this effect can naturally explain the values of the correlation function below one, observed at LEP and LHC for pairs of identical pions. to emphasize the role of inter-hadron correlations in the explanation of the observed negative values of C(p1,p2)-1 and to point out that a natural source of such inter-hadron correlations can be provided by the finite sizes of the produced hadrons. Several comments are in order.(i) Our use of the Θ-function to parametrize the excluded volume correlations is clearly only a crude approximation. For a precise description of data almost certainly a more sophisticated parametrization of the effect will be needed. In particular, note that with our parametrization the correlation in space-time does not affect the single-particle and two-particle non-symmetrized momentum distributions. The same comment applies to our use of Gaussians.(ii) It has been recently found [6,7] that in pp collisions at LHC, the volume of the system (as determined from the fitted HBT parameters) depends weakly on the multiplicity of the particles produced in the collision. This suggests that large multiplicity in an event is due to a longer emission time. If true, this should be also reflected in the HBT measurements and it may be interesting to investigate this aspect of the problem in more detail.(iii) To investigate further the space and/or time correlations between the emitted particles more information is needed. It would be interesting to study the minima in the correlation functions separately for the “side”, “out” and “long” directions. Such studies may allow to determine the size of the “excluded volume” and compare it with other estimates [14,15]. We also feel that with the present accuracy and statistics of data, measurements of three-particle B-E correlations represent the potential to provide some essential information helping to understand what is really going on.

Search for chameleon particles via photon regeneration

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

Chou, Aaron S.; /CCPP, New York U.

2008-09-01

We report the first results from the GammeV search for chameleon particles, which may be created via photon-photon interactions within a strong magnetic field. The chameleons are assumed to have matter effects sufficiently strong that they reflect from all solid surfaces of the apparatus, thus evading detection in our previous search for weakly-interacting axion-like particles. We implement a novel technique to create and trap the reflective particles within a jar and to detect them later via their afterglow as they slowly convert back into photons. These measurements provide the first experimental constraints on the couplings of chameleons to photons.

Wide-area Power System Damping Control Coordination Based on Particle Swarm Optimization with Time Delay Considered

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Jiang, Y.

2017-10-01

To ensure satisfactory dynamic performance of controllers in time-delayed power systems, a WAMS-based control strategy is investigated in the presence of output feedback delay. An integrated approach based on Pade approximation and particle swarm optimization (PSO) is employed for parameter configuration of PSS. The coordination configuration scheme of power system controllers is achieved by a series of stability constraints at the aim of maximizing the minimum damping ratio of inter-area mode of power system. The validity of this derived PSS is verified on a prototype power system. The findings demonstrate that the proposed approach for control design could damp the inter-area oscillation and enhance the small-signal stability.

The fate of calcium carbonate nanoparticles administered by oral route: absorption and their interaction with biological matrices

PubMed Central

Lee, Jeong-A; Kim, Mi-Kyung; Kim, Hyoung-Mi; Lee, Jong Kwon; Jeong, Jayoung; Kim, Young-Rok; Oh, Jae-Min; Choi, Soo-Jin

2015-01-01

Background Orally administered particles rapidly interact with biological fluids containing proteins, enzymes, electrolytes, and other biomolecules to eventually form particles covered by a corona, and this corona potentially affects particle uptake, fate, absorption, distribution, and elimination in vivo. This study explored relationships between the biological interactions of calcium carbonate particles and their biokinetics. Methods We examined the effects of food grade calcium carbonates of different particle size (nano [N-Cal] and bulk [B-Cal]: specific surface areas of 15.8 and 0.83 m2/g, respectively) on biological interactions in in vitro simulated physiological fluids, ex vivo biofluids, and in vivo in gastrointestinal fluid. Moreover, absorption and tissue distribution of calcium carbonates were evaluated following a single dose oral administration to rats. Results N-Cal interacted more with biomatrices than bulk materials in vitro and ex vivo, as evidenced by high fluorescence quenching ratios, but it did not interact more actively with biomatrices in vivo. Analysis of coronas revealed that immunoglobulin, apolipoprotein, thrombin, and fibrinogen, were the major corona proteins, regardless of particle size. A biokinetic study revealed that orally delivered N-Cal was more rapidly absorbed into the blood stream than B-Cal, but no significant differences were observed between the two in terms of absorption efficiencies or tissue distributions. Both calcium carbonates were primarily present as particulate forms in gastrointestinal fluids but enter the circulatory system in dissolved Ca2+, although both types showed partial phase transformation to dicalcium phosphate dihydrate. Relatively low dissolution (about 4%), no remarkable protein–particle interaction, and the major particulate fate of calcium carbonate in vivo gastrointestinal fluids can explain its low oral absorption (about 4%) regardless of particle size. Conclusion We conclude that calcium carbonate nanoparticles can act more actively with biological matrices in vitro and ex vivo, but that in vivo, their biological interactions and biokinetics are not affected by particle size. PMID:25848250

The fate of calcium carbonate nanoparticles administered by oral route: absorption and their interaction with biological matrices.

PubMed

Lee, Jeong-A; Kim, Mi-Kyung; Kim, Hyoung-Mi; Lee, Jong Kwon; Jeong, Jayoung; Kim, Young-Rok; Oh, Jae-Min; Choi, Soo-Jin

2015-01-01

Orally administered particles rapidly interact with biological fluids containing proteins, enzymes, electrolytes, and other biomolecules to eventually form particles covered by a corona, and this corona potentially affects particle uptake, fate, absorption, distribution, and elimination in vivo. This study explored relationships between the biological interactions of calcium carbonate particles and their biokinetics. We examined the effects of food grade calcium carbonates of different particle size (nano [N-Cal] and bulk [B-Cal]: specific surface areas of 15.8 and 0.83 m(2)/g, respectively) on biological interactions in in vitro simulated physiological fluids, ex vivo biofluids, and in vivo in gastrointestinal fluid. Moreover, absorption and tissue distribution of calcium carbonates were evaluated following a single dose oral administration to rats. N-Cal interacted more with biomatrices than bulk materials in vitro and ex vivo, as evidenced by high fluorescence quenching ratios, but it did not interact more actively with biomatrices in vivo. Analysis of coronas revealed that immunoglobulin, apolipoprotein, thrombin, and fibrinogen, were the major corona proteins, regardless of particle size. A biokinetic study revealed that orally delivered N-Cal was more rapidly absorbed into the blood stream than B-Cal, but no significant differences were observed between the two in terms of absorption efficiencies or tissue distributions. Both calcium carbonates were primarily present as particulate forms in gastrointestinal fluids but enter the circulatory system in dissolved Ca(2+), although both types showed partial phase transformation to dicalcium phosphate dihydrate. Relatively low dissolution (about 4%), no remarkable protein-particle interaction, and the major particulate fate of calcium carbonate in vivo gastrointestinal fluids can explain its low oral absorption (about 4%) regardless of particle size. We conclude that calcium carbonate nanoparticles can act more actively with biological matrices in vitro and ex vivo, but that in vivo, their biological interactions and biokinetics are not affected by particle size.

Polymeric Materials With Additives for Durability and Radiation Shielding in Space

NASA Technical Reports Server (NTRS)

Kiefer, Richard

2011-01-01

Polymeric materials are attractive for use in space structures because of their light weight and high strength In addition, polymers are made of elements with low atomic numbers (Z), primarily carbon (C), hydrogen (H), oxygen (0), and nitrogen (N) which provide the best shielding from galactic cosmic rays (GCR) (ref. 1). Galactic cosmic rays are composed primarily of nuclei (i.e., fully ionized atoms) plus a contribution of about 2% from electrons and positrons. There is a small but significant component of GCR particles with high charge (Z > 10) and high energy (E >100 GeV) (ref. 2). These so-called HZE particles comprise only 1 to 2% of the cosmic ray fluence but they interact with very high specific ionization and contribute 50% of the long- term dose to humans. The best shield for this radiation would be liquid hydrogen, which is not feasible. For this reason, hydrogen-containing polymers make the most effective practical shields. Moreover, neutrons are formed in the interactions of GCR particles with materials. Neutrons can only lose energy by collisions or reactions with a nucleus since they are uncharged. This is a process that is much less probable than the Coulombic interactions of charged particles. Thus, neutrons migrate far from the site of the reaction in which they were formed. This increases the probability of neutrons reaching humans or electronic equipment. Fast neutrons (> 1 MeV) can interact with silicon chips in electronic equipment resulting in the production of recoil ions which can cause single event upsets (SEU) in sensitive components (ref. 3). Neutrons lose energy most effectively by elastic collisions with light atoms, particularly hydrogen atoms. Therefore, hydrogen-containing polymers are not only effective in interacting with GCR particles; they are also effective in reducing the energy of the neutrons formed in the interactions.

Becoming-in-the-World-with-Others: Inter-Act Theatre Workshop

ERIC Educational Resources Information Center

Hellier-Tinoco, Ruth

2005-01-01

This article explores the concepts of Freire's "universal human ethic", Price and Shildrick's "becoming-in-the-world-with-others" and Foucault's "power in action". Although human relationships and behaviour may be regarded as intrinsic to most arts projects, the specific context of the Inter-Act project places the focus upon the very nature of…

Interaction of Burning Metal Particles

NASA Technical Reports Server (NTRS)

Dreizin, Edward L.; Berman, Charles H.; Hoffmann, Vern K.

1999-01-01

Physical characteristics of the combustion of metal particle groups have been addressed in this research. The combustion behavior and interaction effects of multiple metal particles has been studied using a microgravity environment, which presents a unique opportunity to create an "aerosol" consisting of relatively large particles, i.e., 50-300 micrometer diameter. Combustion behavior of such an aerosol could be examined using methods adopted from well-developed single particle combustion research. The experiment included fluidizing relatively large (order of 100 micrometer diameter) uniform metal particles under microgravity and igniting such an "aerosol" using a hot wire igniter. The flame propagation and details of individual particle combustion and particle interaction have been studied using a high speed movie and video-imaging with cameras coupled with microscope lenses to resolve individual particles. Interference filters were used to separate characteristic metal and metal oxide radiation bands form the thermal black body radiation. Recorded flame images were digitized and employed to understand the processes occurring in the burning aerosol. The development of individual particle flames, merging or separation, and extinguishing as well as induced particle motion have been analyzed to identify the mechanisms governing these processes. Size distribution, morphology, and elemental compositions of combustion products were characterized and used to link the observed in this project aerosol combustion phenomena with the recently expanded mechanism of single metal particle combustion.

Structure and Dynamics of Interacting Nanoparticles in Semidilute Polymer Solutions

DOE PAGES

Pollng-Skutvik, Ryan; Mongcopa, Katrina Irene S.; Faraone, Antonio; ...

2016-08-17

We investigate the structure and dynamics of silica nanoparticles and polymer chains in semidilute solutions of high molecular weight polystyrene in 2-butanone to determine the effect of long-range interparticle interactions on the coupling between particle and polymer dynamics. Particles at concentrations of 1–10 wt % are well dispersed in the semidilute polymer solutions and exhibit long-range electrostatic repulsions between particles. Because the particles are comparably sized to the radius of gyration of the polymer, the particle dynamics is predicted to couple to that of the polymer. We verify that the polymer structure and dynamics are not significantly affected by themore » particles, indicating that the particle–polymer coupling does not change with increasing particle loading. We find that the coupling between the dynamics of comparably sized particles and polymer results in subdiffusive particle dynamics, as expected. Over the interparticle distance, however, the particle dynamics is hindered and not fully described by the relaxation of the surrounding polymer chains. Instead, the particle dynamics is inversely related to the structure factor, suggesting that physical particle–polymer coupling on short length scales and interparticle interactions on long length scales both present energetic barriers to particle motion that lead to subdiffusive dynamics and de Gennes narrowing, respectively.« less

An interdecadal climate dipole between Northeast Asia and Antarctica over the past five centuries

NASA Astrophysics Data System (ADS)

Fang, Keyan; Chen, Deliang; Guo, Zhengtang; Zhao, Yan; Frank, David; He, Maosheng; Zhou, Feifei; Shi, Feng; Seppä, Heikki; Zhang, Peng; Neukom, Raphael

2018-03-01

Climate models emphasize the need to investigate inter-hemispheric climatic interactions. However, these models often underestimate the inter-hemispheric differences in climate change. With the wide application of reanalysis data since 1948, we identified a dipole pattern between the geopotential heights (GPHs) in Northeast Asia and Antarctica on the interdecadal scale in boreal summer. This Northeast Asia/Antarctica (NAA) dipole pattern is not conspicuous on the interannual scale, probably in that the interannual inter-hemispheric climate interaction is masked by strong interannual signals in the tropics associated with the El Niño-Southern Oscillation (ENSO). Unfortunately, the instrumental records are not sufficiently long-lasting to detect the interdecadal variability of the NAA. We thus reconstructed GPHs since 1565, making using the proxy records mostly from tree rings in Northeast Asia and ice cores from Antarctica. The strength of the NAA is time-varying and it is most conspicuous in the eighteenth century and after the late twentieth century. The strength of the NAA matches well with the variations of the solar radiation and tends to increase in along with its enhancement. In boreal summer, enhanced heating associated with high solar radiation in the Northern Hemisphere drives more air masses from the South to the North. This inter-hemispheric interaction is particularly strong in East Asia as a result of the Asian summer monsoon. Northeast Asia and Antarctica appear to be the key regions responsible for inter-hemispheric interactions on the interdecadal scale in boreal summer since they are respectively located at the front and the end of this inter-hemispheric trajectory.

A 2:1 co-crystal of p-nitro-benzoic acid and N,N'-bis-(pyridin-3-ylmeth-yl)ethanedi-amide: crystal structure and Hirshfeld surface analysis.

PubMed

Syed, Sabrina; Halim, Siti Nadiah Abdul; Jotani, Mukesh M; Tiekink, Edward R T

2016-01-01

The title 2:1 co-crystal, 2C7H5NO4·C14H14N4O2, in which the complete di-amide mol-ecule is generated by crystallographic inversion symmetry, features a three-mol-ecule aggregate sustained by hydroxyl-O-H⋯N(pyrid-yl) hydrogen bonds. The p-nitro-benzoic acid mol-ecule is non-planar, exhibiting twists of both the carb-oxy-lic acid and nitro groups, which form dihedral angles of 10.16 (9) and 4.24 (4)°, respectively, with the benzene ring. The di-amide mol-ecule has a conformation approximating to a Z shape, with the pyridyl rings lying to either side of the central, almost planar di-amide residue (r.m.s. deviation of the eight atoms being 0.025 Å), and forming dihedral angles of 77.22 (6)° with it. In the crystal, three-mol-ecule aggregates are linked into a linear supra-molecular ladder sustained by amide-N-H⋯O(nitro) hydrogen bonds and orientated along [10-4]. The ladders are connected into a double layer via pyridyl- and benzene-C-H⋯O(amide) inter-actions, which, in turn, are connected into a three-dimensional architecture via π-π stacking inter-actions between pyridyl and benzene rings [inter-centroid distance = 3.6947 (8) Å]. An evaluation of the Hirshfeld surfaces confirm the importance of inter-molecular inter-actions involving oxygen atoms as well as the π-π inter-actions.

Predictive modeling of multicellular structure formation by using Cellular Particle Dynamics simulations

NASA Astrophysics Data System (ADS)

McCune, Matthew; Shafiee, Ashkan; Forgacs, Gabor; Kosztin, Ioan

2014-03-01

Cellular Particle Dynamics (CPD) is an effective computational method for describing and predicting the time evolution of biomechanical relaxation processes of multicellular systems. A typical example is the fusion of spheroidal bioink particles during post bioprinting structure formation. 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. CPD was successfully applied to describe and predict the fusion of 3D tissue construct involving identical spherical aggregates. Here, we demonstrate that CPD can also predict tissue formation involving uneven spherical aggregates whose volumes decrease during the fusion process. Work supported by NSF [PHY-0957914]. Computer time provided by the University of Missouri Bioinformatics Consortium.

Electron heating in quasi-perpendicular shocks - A Monte Carlo simulation

NASA Technical Reports Server (NTRS)

Veltri, Pierluigi; Mangeney, Andre; Scudder, Jack D.

1990-01-01

To study the problem of electron heating in quasi-perpendicular shocks, under the combined effects of 'reversible' motion, in the shock electric potential and magnetic field, and wave-particle interactions a diffusion equation was derived, in the drift (adiabatic) approximation and it was solved by using a Monte Carlo method. The results show that most of the observations can be explained within this framework. The simulation has also definitively shown that the electron parallel temperature is determined by the dc electromagnetic field and not by any wave particle induced heating. Wave-particle interactions are effective in smoothing out the large gradients in phase space produced by the 'reversible' motion of the electrons, thus producing a 'cooling' of the electrons. Some constraints on the wave-particle interaction process may be obtained from a detailed comparison between the simulation and observations. In particular, it appears that the adiabatic approximation must be violated in order to explain the observed evolution of the perpendicular temperature.

Capillary trapping of particles in thin-film flows

NASA Astrophysics Data System (ADS)

Dressaire, Emilie; Gomez, Michael; Colnet, Benedicte; Sauret, Alban

2017-11-01

When a thin layer of suspension flows over a substrate, some particles remain trapped on the solid surface. When the thickness of the liquid layer is comparable to the particle size, the particles deform the liquid interface, which leads to local interactions. These effects modify the transport of particles and the dynamics of the liquid films. Here, we characterize how capillary interactions affect the transport and deposition of non-Brownian particles moving in thin liquid films and the resulting loss of transported material. We focus on gravitational drainage flows, in which the film thickness becomes comparable to the particle size. Depending on the concentration of particles, we find that the drainage dynamics exhibits behavior that cannot be captured with a continuum model, due to the deposition of particles on the substrate. ANR-16-CE30-0009 & CNRS-PICS-07242 & ACS-PRF 55845-ND9.

Capillary trapping in thin-film flows of particles

NASA Astrophysics Data System (ADS)

Sauret, Alban; Gomez, Michael; Dressaire, Emilie

Flows of suspensions have been modeled on a continuum level by using constitutive relations to capture how the viscosity varies with the particle concentration. However, in thin liquid films, where the thickness of the liquid layer is comparable to the particle size, the particles deform the liquid interface, which leads to local interactions. These effects modify the transport of particles and could result in the contamination of the surface and the loss of transported material. Here, we characterize how capillary interactions affect the transport and deposition of non-Brownian particles moving in thin liquid films. We focus on gravitational drainage flows, in which the film thickness becomes comparable to the particle size. Depending on the concentration of particles, we find that the dynamics of the drainage exhibits behavior that cannot be captured with a Newtonian model, due to the deposition of particles on the substrate. ANR-16-CE30-0009 and CNRS-PICS-07242.