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.

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

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.

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

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

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.

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.

Rice Starch Particle Interactions at Air/Aqueous Interfaces—Effect of Particle Hydrophobicity and Solution Ionic Strength

PubMed Central

McNamee, Cathy E.; Sato, Yu; Wiege, Berthold; Furikado, Ippei; Marefati, Ali; Nylander, Tommy; Kappl, Michael; Rayner, Marilyn

2018-01-01

Starch particles modified by esterification with dicarboxylic acids to give octenyl succinic anhydride (OSA) starch is an approved food additive that can be used to stabilize oil in water emulsions used in foods and drinks. However, the effects of the OSA modification of the starch particle on the interfacial interactions are not fully understood. Here, we directly measured the packing of films of rice starch granules, i.e., the natural particle found inside the plant, at air/aqueous interfaces, and the interaction forces in that system as a function of the particle hydrophobicity and ionic strength, in order to gain insight on how starch particles can stabilize emulsions. This was achieved by using a combined Langmuir trough and optical microscope system, and the Monolayer Interaction Particle Apparatus. Native rice starch particles were seen to form large aggregates at air/water interfaces, causing films with large voids to be formed at the interface. The OSA modification of the rice starches particles decreased this aggregation. Increasing the degree of modification improved the particle packing within the film of particles at the air/water interface, due to the introduction of inter-particle electrostatic interactions within the film. The introduction of salt to the water phase caused the particles to aggregate and form holes within the film, due to the screening of the charged groups on the starch particles by the salt. The presence of these holes in the film decreased the stiffness of the films. The effect of the OSA modification was concluded to decrease the aggregation of the particles at an air/water interface. The presence of salts, however, caused the particles to aggregate, thereby reducing the strength of the interfacial film. PMID:29868551

Rice Starch Particle Interactions at Air/Aqueous Interfaces-Effect of Particle Hydrophobicity and Solution Ionic Strength.

PubMed

McNamee, Cathy E; Sato, Yu; Wiege, Berthold; Furikado, Ippei; Marefati, Ali; Nylander, Tommy; Kappl, Michael; Rayner, Marilyn

2018-01-01

Starch particles modified by esterification with dicarboxylic acids to give octenyl succinic anhydride (OSA) starch is an approved food additive that can be used to stabilize oil in water emulsions used in foods and drinks. However, the effects of the OSA modification of the starch particle on the interfacial interactions are not fully understood. Here, we directly measured the packing of films of rice starch granules, i.e., the natural particle found inside the plant, at air/aqueous interfaces, and the interaction forces in that system as a function of the particle hydrophobicity and ionic strength, in order to gain insight on how starch particles can stabilize emulsions. This was achieved by using a combined Langmuir trough and optical microscope system, and the Monolayer Interaction Particle Apparatus. Native rice starch particles were seen to form large aggregates at air/water interfaces, causing films with large voids to be formed at the interface. The OSA modification of the rice starches particles decreased this aggregation. Increasing the degree of modification improved the particle packing within the film of particles at the air/water interface, due to the introduction of inter-particle electrostatic interactions within the film. The introduction of salt to the water phase caused the particles to aggregate and form holes within the film, due to the screening of the charged groups on the starch particles by the salt. The presence of these holes in the film decreased the stiffness of the films. The effect of the OSA modification was concluded to decrease the aggregation of the particles at an air/water interface. The presence of salts, however, caused the particles to aggregate, thereby reducing the strength of the interfacial film.

Rice starch particle interactions at air/aqueous interfaces– effect of particle hydrophobicity and solution ionic strength

NASA Astrophysics Data System (ADS)

McNamee, Cathy E.; Sato, Yu; Wiege, Berthold; Furikado, Ippei; Marefati, Ali; Nylander, Tommy; Kappl, Michael; Rayner, Marilyn

2018-05-01

Starch particles modified by esterification with dicarboxylic acids to give octenyl succinic anhydride (OSA) starch is an approved food additive that can be used to stabilize oil in water emulsions used in foods and drinks. However, the effects of the OSA modification of the starch particle on the interfacial interactions are not fully understood. Here, we directly measured the packing of films of rice starch granules, i.e. the natural particle found inside the plant, at air/aqueous interfaces and the interaction forces in that system as a function of the particle hydrophobicity and ionic strength, in order to gain insight on how starch particles can stabilize emulsions. This was achieved by using a combined Langmuir trough and optical microscope system, and the Monolayer Interaction Particle Apparatus. Native rice starch particles were seen to form large aggregates at air/water interfaces, causing films with large voids to be formed at the interface. The OSA modification of the rice starches particles decreased this aggregation. Increasing the degree of modification improved the particle packing within the film of particles at the air/water interface, due to the introduction of inter-particle electrostatic interactions within the film. The introduction of salt to the water phase caused the particles to aggregate and form holes within the film, due to the screening of the charged groups on the starch particles by the salt. The presence of these holes in the film decreased the stiffness of the films. The effect of the OSA modification was concluded to decrease the aggregation of the particles at an air/water interface. The presence of salts, however, caused the particles to aggregate, thereby reducing the strength of the interfacial film.

Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix.

PubMed

Nair, Nitish; Wentzel, Nathaniel; Jayaraman, Arthi

2011-05-21

In efforts to produce polymeric materials with tailored physical properties, significant interest has grown around the ability to control the spatial organization of nanoparticles in polymer nanocomposites. One way to achieve controlled particle arrangement is by grafting the nanoparticle surface with polymers that are compatible with the matrix, thus manipulating the interfacial interactions between the nanoparticles and the polymer matrix. Previous work has shown that the molecular weight of the grafted polymer, both at high grafting density and low grafting density, plays a key role in dictating the effective inter-particle interactions in a polymer matrix. At high grafting density nanoparticles disperse (aggregate) if the graft molecular weight is higher (lower) than the matrix molecular weight. At low grafting density the longer grafts can better shield the nanoparticle surface from direct particle-particle contacts than the shorter grafts and lead to the dispersion of the grafted particles in the matrix. Despite the importance of graft molecular weight, and evidence of non-trivial effects of polydispersity of chains grafted on flat surfaces, most theoretical work on polymer grafted nanoparticles has only focused on monodisperse grafted chains. In this paper, we focus on how bidispersity in grafted chain lengths affects the grafted chain conformations and inter-particle interactions in an implicit solvent and in a dense homopolymer polymer matrix. We first present the effects of bidispersity on grafted chain conformations in a single polymer grafted particle using purely Monte Carlo (MC) simulations. This is followed by calculations of the potential of mean force (PMF) between two grafted particles in a polymer matrix using a self-consistent Polymer Reference Interaction Site Model theory-Monte Carlo simulation approach. Monte Carlo simulations of a single polymer grafted particle in an implicit solvent show that in the bidisperse polymer grafted particles with an equal number of short and long grafts at low to medium grafting density, the short grafts are in a more coiled up conformation (lower radius of gyration) than their monodisperse counterparts to provide a larger free volume to the longer grafts so they can gain conformational entropy. The longer grafts do not show much difference in conformation from their monodisperse counterparts at low grafting density, but at medium grafting density the longer grafts exhibit less stretched conformations (lower radius of gyration) as compared to their monodisperse counterparts. In the presence of an explicit homopolymer matrix, the longer grafts are more compressed by the matrix homopolymer chains than the short grafts. We observe that the potential of mean force between bidisperse grafted particles has features of the PMF of monodisperse grafted particles with short grafts and monodisperse grafted particles with long grafts. The value of the PMF at contact is governed by the short grafts and values at large inter-particle distances are governed by the longer grafts. Further comparison of the PMF for bidisperse and monodisperse polymer grafted particles in a homopolymer matrix at varying parameters shows that the effects of matrix chain length, matrix packing fraction, grafting density, and particle curvature on the PMF between bidisperse polymer grafted particles are similar to those seen between monodisperse polymer grafted particles. © 2011 American Institute of Physics.

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).

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

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.

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

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.

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.

Study of Electron Gas on a Neutron-Rich Nuclear Pasta

NASA Astrophysics Data System (ADS)

Ramirez-Homs, Enrique

This study used a classical molecular dynamics model to observe the role of electron gas on the formation of nuclear structures at subsaturation densities (rho < 0.015 fm-3) and low temperatures (T < 1MeV ). The simulations were performed by varying the Coulomb interaction strength on systems of isospin symmetric and asymmetric matter with periodic boundary conditions. The effect was quantified on the fragment size multiplicity, the inter-particle distance, the isospin content of the clusters, the nucleon mobility and cluster persistence, and on the nuclear structure shapes. The existence of the nuclear pasta structures was observed even with the absence of the Coulomb interaction but with a modication of the shapes formed. It was found that the presence of the electron gas tends to distribute matter more evenly, forms less compact objects, decreases the isospin content of clusters, modies the nucleon mobility, reduces the persistence and the fragment size multiplicity, but does not alter the inter-particle distance in clusters. The degree of these effects also varied on the nuclear structures and depended on their isospin content, temperature, and density.

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.

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-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.

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.

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.

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.

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.

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.

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.

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.

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.

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

PubMed

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

2016-02-14

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

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.

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.

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.

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.

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)

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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.

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.

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.

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.

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.

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).

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.

"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.

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

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

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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

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.

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...

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.

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.

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.

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.

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.

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

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.

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.

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.

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.'

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.

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.

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.

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

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.

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).

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.

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.

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.

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.

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).

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.

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

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.

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.

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.

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

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

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.

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.

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.

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.

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.

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.

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.

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.

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

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

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.

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.

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.

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

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

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.

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 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

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.

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.

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.

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).

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.

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.

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.

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

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

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.

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.

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.

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.

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

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.

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

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.

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...

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.

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…

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.

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.

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.

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.

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

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

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.

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

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.

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.

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.

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.

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.

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.

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...

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.

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.

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

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.

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

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.

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.

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.

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.

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…

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.

Inter-subunit interactions across the upper voltage sensing-pore domain interface contribute to the concerted pore opening transition of Kv channels.

PubMed

Shem-Ad, Tzilhav; Irit, Orr; Yifrach, Ofer

2013-01-01

The tight electro-mechanical coupling between the voltage-sensing and pore domains of Kv channels lies at the heart of their fundamental roles in electrical signaling. Structural data have identified two voltage sensor pore inter-domain interaction surfaces, thus providing a framework to explain the molecular basis for the tight coupling of these domains. While the contribution of the intra-subunit lower domain interface to the electro-mechanical coupling that underlies channel opening is relatively well understood, the contribution of the inter-subunit upper interface to channel gating is not yet clear. Relying on energy perturbation and thermodynamic coupling analyses of tandem-dimeric Shaker Kv channels, we show that mutation of upper interface residues from both sides of the voltage sensor-pore domain interface stabilizes the closed channel state. These mutations, however, do not affect slow inactivation gating. We, moreover, find that upper interface residues form a network of state-dependent interactions that stabilize the open channel state. Finally, we note that the observed residue interaction network does not change during slow inactivation gating. The upper voltage sensing-pore interaction surface thus only undergoes conformational rearrangements during channel activation gating. We suggest that inter-subunit interactions across the upper domain interface mediate allosteric communication between channel subunits that contributes to the concerted nature of the late pore opening transition of Kv channels.

4,5,7,8,17-Penta-hydr-oxy-14,18-dimethyl-6-methyl-ene-3,10-dioxapenta-cyclo-[9.8.0.0.0.0]nona-dec-14-ene-9,16-dione methanol solvate dihydrate.

PubMed

Teh, Chin Hoe; Teoh, Siew Chin; Yeap, Chin Sing; Chan, Kit Lam; Fun, Hoong-Kun

2009-03-28

The title quassinoid compound, C(20)H(24)O(9)·CH(3)OH·2H(2)O, is a natural eurycomanone isolated from the roots of Eurycoma longifolia. The mol-ecules contain a fused five-ring system, with one tetra-hydro-furan ring adopting an envelope conformation, one tetra-hydro-pyran-2-one ring in a screw boat conformation, one cyclo-hexenone ring in a half-chair conformation and two cyclo-hexane rings in chair conformations. Intra-molecular C-H⋯O inter-actions generate S(5) ring motifs and an O-H⋯O inter-action generates an S(7) ring motif. In the crystal, mol-ecules are linked via inter-molecular O-H⋯O inter-actions along the b axis and further stacked along a axis. The absolute configuration of the title compound was inferred from previously solved structures of its analogues.

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.

Phase dilemma in natural orbital functional theory from the N-representability perspective

NASA Astrophysics Data System (ADS)

Mitxelena, Ion; Rodriguez-Mayorga, Mauricio; Piris, Mario

2018-06-01

Any rigorous approach to first-order reduced density matrix ( Γ) functional theory faces the phase dilemma, that is, having to deal with a large number of possible combinations of signs in terms of the electron-electron interaction energy. This problem was discovered by reducing a ground-state energy generated from an approximate N-particle wavefunction into a functional of Γ, known as the top-down method. Here, we show that the phase dilemma also appears in the bottom-up method, in which the functional E[ Γ] is generated by progressive inclusion of N-representability conditions on the reconstructed two-particle reduced density matrix. It is shown that an adequate choice of signs is essential to accurately describe model systems with strong non-dynamic (static) electron correlation, specifically, the one-dimensional Hubbard model with periodic boundary conditions and hydrogen rings. For the latter, the Piris natural orbital functional 7 (PNOF7), with phases equal to -1 for the inter-pair energy terms containing the exchange-time-inversion integrals, agrees with exact diagonalization results.

The application of atomic force microscopy in mineral flotation.

PubMed

Xing, Yaowen; Xu, Mengdi; Gui, Xiahui; Cao, Yijun; Babel, Bent; Rudolph, Martin; Weber, Stefan; Kappl, Michael; Butt, Hans-Jürgen

2018-06-01

During the past years, atomic force microscopy (AFM) has matured to an indispensable tool to characterize nanomaterials in colloid and interface science. For imaging, a sharp probe mounted near to the end of a cantilever scans over the sample surface providing a high resolution three-dimensional topographic image. In addition, the AFM tip can be used as a force sensor to detect local properties like adhesion, stiffness, charge etc. After the invention of the colloidal probe technique it has also become a major method to measure surface forces. In this review, we highlight the advances in the application of AFM in the field of mineral flotation, such as mineral morphology imaging, water at mineral surface, reagent adsorption, inter-particle force, and bubble-particle interaction. In the coming years, the complementary characterization of chemical composition such as using infrared spectroscopy and Raman spectroscopy for AFM topography imaging and the synchronous measurement of the force and distance involving deformable bubble as a force sensor will further assist the fundamental understanding of flotation mechanism. Copyright © 2018 Elsevier B.V. All rights reserved.

Atomistic minimal model for estimating profile of electrodeposited nanopatterns

NASA Astrophysics Data System (ADS)

Asgharpour Hassankiadeh, Somayeh; Sadeghi, Ali

2018-06-01

We develop a computationally efficient and methodologically simple approach to realize molecular dynamics simulations of electrodeposition. Our minimal model takes into account the nontrivial electric field due a sharp electrode tip to perform simulations of the controllable coating of a thin layer on a surface with an atomic precision. On the atomic scale a highly site-selective electrodeposition of ions and charged particles by means of the sharp tip of a scanning probe microscope is possible. A better understanding of the microscopic process, obtained mainly from atomistic simulations, helps us to enhance the quality of this nanopatterning technique and to make it applicable in fabrication of nanowires and nanocontacts. In the limit of screened inter-particle interactions, it is feasible to run very fast simulations of the electrodeposition process within the framework of the proposed model and thus to investigate how the shape of the overlayer depends on the tip-sample geometry and dielectric properties, electrolyte viscosity, etc. Our calculation results reveal that the sharpness of the profile of a nano-scale deposited overlayer is dictated by the normal-to-sample surface component of the electric field underneath the tip.

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.

A new method for measuring lung deposition efficiency of airborne nanoparticles in a single breath

PubMed Central

Jakobsson, Jonas K. F.; Hedlund, Johan; Kumlin, John; Wollmer, Per; Löndahl, Jakob

2016-01-01

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. PMID:27819335

Methyl 4-eth-oxy-2-methyl-2H-1,2-benzothia-zine-3-carboxyl-ate 1,1-dioxide.

PubMed

Zia-Ur-Rehman, Muhammad; Choudary, Jamil Anwar; Elsegood, Mark R J; Akbar, Noshin; Latif Siddiqui, Hamid

2008-07-16

In the crystal structure of the title compound, C(13)H(15)NO(5)S, the mol-ecules exhibit weak S=O⋯H-C and C=O⋯H-C inter-molecular inter-actions and arrange themselves into centrosymmetric dimers by means of π-π inter-actions (ring centroids are separated by 3.619 Å, while the closest C⋯C contacts are 3.514 Å). 1,2-Benzothia-zines of this kind have a range of biological activities and are used as medicines in the treatment of inflammation and rheumatoid arthritis.

Coevolution study of mitochondria respiratory chain proteins: toward the understanding of protein--protein interaction.

PubMed

Yang, Ming; Ge, Yan; Wu, Jiayan; Xiao, Jingfa; Yu, Jun

2011-05-20

Coevolution can be seen as the interdependency between evolutionary histories. In the context of protein evolution, functional correlation proteins are ever-present coordinated evolutionary characters without disruption of organismal integrity. As to complex system, there are two forms of protein--protein interactions in vivo, which refer to inter-complex interaction and intra-complex interaction. In this paper, we studied the difference of coevolution characters between inter-complex interaction and intra-complex interaction using "Mirror tree" method on the respiratory chain (RC) proteins. We divided the correlation coefficients of every pairwise RC proteins into two groups corresponding to the binary protein--protein interaction in intra-complex and the binary protein--protein interaction in inter-complex, respectively. A dramatical discrepancy is detected between the coevolution characters of the two sets of protein interactions (Wilcoxon test, p-value = 4.4 × 10(-6)). Our finding reveals some critical information on coevolutionary study and assists the mechanical investigation of protein--protein interaction. Furthermore, the results also provide some unique clue for supramolecular organization of protein complexes in the mitochondrial inner membrane. More detailed binding sites map and genome information of nuclear encoded RC proteins will be extraordinary valuable for the further mitochondria dynamics study. Copyright © 2011. Published by Elsevier Ltd.

Modeling the evolution of lithium-ion particle contact distributions using a fabric tensor approach

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

Stershic, A. J.; Simunovic, S.; Nanda, J.

2015-08-25

Electrode microstructure and processing can strongly influence lithium-ion battery performance such as capacity retention, power, and rate. Battery electrodes are multi-phase composite structures wherein conductive diluents and binder bond active material to a current collector. The structure and response of this composite network during repeated electrochemical cycling directly affects battery performance characteristics. We propose the fabric tensor formalism for describing the structure and evolution of the electrode microstructure. Fabric tensors are directional measures of particulate assemblies based on inter-particle connectivity, relating to the structural and transport properties of the electrode. Fabric tensor analysis is applied to experimental data-sets for positivemore » electrode made of lithium nickel manganese cobalt oxide, captured by X-ray tomography for several compositions and consolidation pressures. We show that fabric tensors capture the evolution of inter-particle contact distribution and are therefore good measures for the internal state of and electronic transport within the electrode. The fabric tensor analysis is also applied to Discrete Element Method (DEM) simulations of electrode microstructures using spherical particles with size distributions from the tomography. Furthermore, these results do not follow the experimental trends, which indicates that the particle size distribution alone is not a sufficient measure for the electrode microstructures in DEM simulations.« less

InterEvDock2: an expanded server for protein docking using evolutionary and biological information from homology models and multimeric inputs.

PubMed

Quignot, Chloé; Rey, Julien; Yu, Jinchao; Tufféry, Pierre; Guerois, Raphaël; Andreani, Jessica

2018-05-08

Computational protein docking is a powerful strategy to predict structures of protein-protein interactions and provides crucial insights for the functional characterization of macromolecular cross-talks. We previously developed InterEvDock, a server for ab initio protein docking based on rigid-body sampling followed by consensus scoring using physics-based and statistical potentials, including the InterEvScore function specifically developed to incorporate co-evolutionary information in docking. InterEvDock2 is a major evolution of InterEvDock which allows users to submit input sequences - not only structures - and multimeric inputs and to specify constraints for the pairwise docking process based on previous knowledge about the interaction. For this purpose, we added modules in InterEvDock2 for automatic template search and comparative modeling of the input proteins. The InterEvDock2 pipeline was benchmarked on 812 complexes for which unbound homology models of the two partners and co-evolutionary information are available in the PPI4DOCK database. InterEvDock2 identified a correct model among the top 10 consensus in 29% of these cases (compared to 15-24% for individual scoring functions) and at least one correct interface residue among 10 predicted in 91% of these cases. InterEvDock2 is thus a unique protein docking server, designed to be useful for the experimental biology community. The InterEvDock2 web interface is available at http://bioserv.rpbs.univ-paris-diderot.fr/services/InterEvDock2/.

Crystal structure of fac-[2-(4-methyl-5-phenyl-pyridin-2-yl)phenyl-κ2C1,N]bis-[2-(pyridin-2-yl)phenyl-κ2C1,N]iridium(III).

PubMed

Lee, Chi-Heon; Moon, Suk-Hee; Park, Ki-Min; Kang, Youngjin

2016-12-01

In the title compound, [Ir(C 11 H 8 N) 2 (C 18 H 14 N)], the Ir III ion adopts a distorted octa-hedral coordination environment defined by three C , N -chelating ligands, one stemming from a 2-(4-phenyl-5-methyl-pyridin-2-yl)phenyl ligand and two from 2-(pyridin-2-yl)phenyl ligands, arranged in a facial manner. The Ir III ion lies almost in the equatorial plane [deviation = 0.0069 (15) Å]. In the crystal, inter-molecular π-π stacking inter-actions, as well as inter-molecular C-H⋯π inter-actions, are present, leading to a three-dimensional network.

Numerical models for fluid-grains interactions: opportunities and limitations

NASA Astrophysics Data System (ADS)

Esteghamatian, Amir; Rahmani, Mona; Wachs, Anthony

2017-06-01

In the framework of a multi-scale approach, we develop numerical models for suspension flows. At the micro scale level, we perform particle-resolved numerical simulations using a Distributed Lagrange Multiplier/Fictitious Domain approach. At the meso scale level, we use a two-way Euler/Lagrange approach with a Gaussian filtering kernel to model fluid-solid momentum transfer. At both the micro and meso scale levels, particles are individually tracked in a Lagrangian way and all inter-particle collisions are computed by a Discrete Element/Soft-sphere method. The previous numerical models have been extended to handle particles of arbitrary shape (non-spherical, angular and even non-convex) as well as to treat heat and mass transfer. All simulation tools are fully-MPI parallel with standard domain decomposition and run on supercomputers with a satisfactory scalability on up to a few thousands of cores. The main asset of multi scale analysis is the ability to extend our comprehension of the dynamics of suspension flows based on the knowledge acquired from the high-fidelity micro scale simulations and to use that knowledge to improve the meso scale model. We illustrate how we can benefit from this strategy for a fluidized bed, where we introduce a stochastic drag force model derived from micro-scale simulations to recover the proper level of particle fluctuations. Conversely, we discuss the limitations of such modelling tools such as their limited ability to capture lubrication forces and boundary layers in highly inertial flows. We suggest ways to overcome these limitations in order to enhance further the capabilities of the numerical models.

Energy mechanics of rock and snow avalanches and the role of fragmentation (invited)

NASA Astrophysics Data System (ADS)

Bartelt, Perry; Buser, Othmar; Glover, James

2014-05-01

The energy mechanics of rock and snow avalanches are traditionally described using a two-step transformation: potential energy is first converted into kinetic energy; kinetic energy is dissipated to heat by frictional processes. If the frictional processes are known, the energy fluxes of avalanches can be calculated completely. The break-up of the released mass, however, introduces several new energy fluxes into the avalanche problem. The first energy is associated with the fragmentation, which generates random particle motions. This is true kinetic energy. Inter-particle interactions (collisions, abrasion, fracture) cause the energy of the random particle motion to dissipate to heat. A constraint on the random motions is the basal boundary. It is at this interface that the dispersive pressure is created by vertical particle motions that are directed upwards into the flow. The integral of the upward particle motions can induce a change in avalanche flow volume and density, depending on the relationship between the weight of the flow and the dispersive pressure. Interestingly, normal pressures will only diverge from hydrostatic when there are changes in flow density. We are therefore confronted with the problem of calculating not only the vertical acceleration of the dispersive pressure, but also the change in vertical acceleration. In this contribution we discuss a method to calculate random particle motions, dispersive pressure and changes in avalanche flow density. These are dependent not only on the absolute mass, but also on the material properties of the disintegrating mass. This becomes particularly interesting when considering the motion of snow and rock avalanches as it allows the prediction of flow regime changes and therefore extreme avalanche run-out potential.

CFD-DEM Onset of Motion Analysis for Application to Bed Scour Risk Assessment

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

Sitek, M. A.; Lottes, S. A.

This CFD study with DEM was done as a part of the Federal Highway Administration’s (FHWA’s) effort to improve scour design procedures. The Computational Fluid Dynamics-Discrete Element Method (CFD-DEM) model, available in CD-Adapco’s StarCCM+ software, was used to simulate multiphase systems, mainly those which combine fluids and solids. In this method the motion of discrete solids is accounted for by DEM, which applies Newton's laws of motion to every particle. The flow of the fluid is determined by the local averaged Navier–Stokes equations that can be solved using the traditional CFD approach. The interactions between the fluid phase and solidsmore » phase are modeled by use of Newton's third law. The inter-particle contact forces are included in the equations of motion. Soft-particle formulation is used, which allows particles to overlap. In this study DEM was used to model separate sediment grains and spherical particles laying on the bed with the aim to analyze their movement due to flow conditions. Critical shear stress causing the incipient movement of the sediment was established and compared to the available experimental data. An example of scour around a cylindrical pier is considered. Various depths of the scoured bed and flow conditions were taken into account to gain a better understanding of the erosion forces existing around bridge foundations. The decay of these forces with increasing scour depth was quantified with a ‘decay function’, which shows that particles become increasingly less likely to be set in motion by flow forces as a scour hole increases in depth. Computational and experimental examples of the scoured bed around a cylindrical pier are presented.« less

Event-chain Monte Carlo algorithms for three- and many-particle interactions

NASA Astrophysics Data System (ADS)

Harland, J.; Michel, M.; Kampmann, T. A.; Kierfeld, J.

2017-02-01

We generalize the rejection-free event-chain Monte Carlo algorithm from many-particle systems with pairwise interactions to systems with arbitrary three- or many-particle interactions. We introduce generalized lifting probabilities between particles and obtain a general set of equations for lifting probabilities, the solution of which guarantees maximal global balance. We validate the resulting three-particle event-chain Monte Carlo algorithms on three different systems by comparison with conventional local Monte Carlo simulations: i) a test system of three particles with a three-particle interaction that depends on the enclosed triangle area; ii) a hard-needle system in two dimensions, where needle interactions constitute three-particle interactions of the needle end points; iii) a semiflexible polymer chain with a bending energy, which constitutes a three-particle interaction of neighboring chain beads. The examples demonstrate that the generalization to many-particle interactions broadens the applicability of event-chain algorithms considerably.

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.

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.

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.

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.

Crystal structures of (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one.

PubMed

Naik, Vasant S; Shettigar, Venkataraya; Berglin, Tyler S; Coburn, Jillian S; Jasinski, Jerry P; Yathirajan, Hemmige S

2015-08-01

In the mol-ecules of the title compounds, (2E)-1-(3-bromo-thio-phen-2-yl)-3-(2-meth-oxy-phen-yl)prop-2-en-1-one, C14H11BrO2S, (I), which crystallizes in the space group P-1 with four independent mol-ecules in the asymmetric unit (Z' = 8), and (2E)-1-(3-bromo-thio-phen-2-yl)-3-(3,4-di-meth-oxy-phen-yl)prop-2-en-1-one, C15H13BrO3S, (II), which crystallizes with Z' = 8 in the space group I2/a, the non-H atoms are nearly coplanar. The mol-ecules of (I) pack with inversion symmetry stacked diagonally along the a-axis direction. Weak C-H⋯Br intra-molecular inter-actions in each of the four mol-ecules in the asymmetric unit are observed. In (II), weak C-H⋯O, bifurcated three-center inter-molecular inter-actions forming dimers along with weak C-H⋯π and π-π stacking inter-actions are observed, linking the mol-ecules into sheets along [001]. A weak C-H⋯Br intra-molecular inter-action is also present. There are no classical hydrogen bonds present in either structure.

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…

Influence of electrical properties of treated surface on RF-excited plasma needle at atmospheric pressure

NASA Astrophysics Data System (ADS)

Sakiyama, Y.; Graves, D. B.; Stoffels, E.

2008-05-01

We present a comparison of a finite element analysis of the atmospheric pressure RF-excited plasma needle interacting with different surfaces with corresponding experimental observations of light emission spatial profiles. The gas used is helium with 1 ppm nitrogen as an impurity. The needle has a point-to-plane geometry with a radius of 30 µm at the tip and an inter-electrode gap of 1 mm. We employ a fluid model in two-dimensional axisymmetric coordinates. Our simulation results indicate that the plasma structure strongly depends on the electrical properties of the treated surface as well as the discharge mode. In the lower power corona mode with a dielectric surface, the plasma is confined near the needle tip. As a result, particle fluxes to the dielectric surface are relatively low and follow a Gaussian-like radial profile. In the higher power glow mode with a dielectric surface, the particle fluxes to the surface are orders of magnitude higher and the spatial distribution of the particle fluxes becomes radially more uniform due to a uniform ionization layer just above the treated surface. When a conductive plate replaces the dielectric surface in the glow mode, a quite intense ionization spot appears near the surface closest to the needle tip. Consequently, the particle fluxes to the surface peak near the symmetry axis under these conditions. These simulation results are validated by experimental observation of light emission spatial profiles.

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.

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.

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.

Neuron-Like Networks Between Ribosomal Proteins Within the Ribosome

NASA Astrophysics Data System (ADS)

Poirot, Olivier; Timsit, Youri

2016-05-01

From brain to the World Wide Web, information-processing networks share common scale invariant properties. Here, we reveal the existence of neural-like networks at a molecular scale within the ribosome. We show that with their extensions, ribosomal proteins form complex assortative interaction networks through which they communicate through tiny interfaces. The analysis of the crystal structures of 50S eubacterial particles reveals that most of these interfaces involve key phylogenetically conserved residues. The systematic observation of interactions between basic and aromatic amino acids at the interfaces and along the extension provides new structural insights that may contribute to decipher the molecular mechanisms of signal transmission within or between the ribosomal proteins. Similar to neurons interacting through “molecular synapses”, ribosomal proteins form a network that suggest an analogy with a simple molecular brain in which the “sensory-proteins” innervate the functional ribosomal sites, while the “inter-proteins” interconnect them into circuits suitable to process the information flow that circulates during protein synthesis. It is likely that these circuits have evolved to coordinate both the complex macromolecular motions and the binding of the multiple factors during translation. This opens new perspectives on nanoscale information transfer and processing.

Inter-Professional Practices of Private-Sector Physiotherapists for Low Back Pain Management: Who, How, and When?

PubMed

Perreault, Kadija; Dionne, Clermont E; Rossignol, Michel; Poitras, Stéphane; Morin, Diane

Purpose : Although there have been increasing demands for health care providers to take part in inter-professional practices in recent years, very little attention has been paid to the actualization of such practices in the private sector. This study describes private-sector physiotherapists' inter-professional practices regarding low back pain (LBP) management and identifies organizational and provider-level variables associated with the intensity of such practices. Method : A total of 327 randomly selected physiotherapists were surveyed in the province of Quebec. Data were analyzed using descriptive and multiple regression analyses. Results : Physiotherapists reported frequent interactions with other physiotherapists (daily/weekly for 52.6%), family physicians (51.0%), and physiotherapy (PT) assistants (45.2%), but infrequent interactions with psychologists (3.6%), neurosurgeons (0.9%), and chiropractors (0.3%). Frequently reported means of interactions were written and oral messages sent through clients (55.1% and 24.1%, respectively), face-to-face unplanned discussions (41.9%), and faxed or mailed letters (23.2%). Variables associated with the intensity of inter-professional practices (mean of 6.7 [ SD 1.7] out of 10 on the Intensity of Interprofessional Practices Questionnaire for Private Sector Physiotherapists) were related to physiotherapists' clientele, social activities with other providers, and perceptions of inter-professional practices as well as organizational models, vision, and provision of PT training. Conclusions: There is room to improve inter-professional practices with private-sector physiotherapists involved in managing LBP. Targets for action include physiotherapists and their workplaces.

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.

Crystal structure and hydrogen-bonding patterns in 5-fluoro-cytosinium picrate.

PubMed

Mohana, Marimuthu; Thomas Muthiah, Packianathan; McMillen, Colin D

2017-03-01

In the crystal structure of the title compound, 5-fluoro-cytosinium picrate, C 4 H 5 FN 3 O + ·C 6 H 2 N 3 O 7 - , one N heteroatom of the 5-fluoro-cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA - ) anion. In the crystal, the 5FC + cation inter-acts with the PA - anion through three-centre N-H⋯O hydrogen bonds, forming two conjoined rings having R 2 1 (6) and R 1 2 (6) motifs, and is extended by N-H⋯O hydrogen bonds and C-H⋯O inter-actions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C-F⋯π inter-actions.

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

Phase diagrams of vortex matter with multi-scale inter-vortex interactions in layered superconductors.

PubMed

Meng, Qingyou; Varney, Christopher N; Fangohr, Hans; Babaev, Egor

2017-01-25

It was recently proposed to use the stray magnetic fields of superconducting vortex lattices to trap ultracold atoms for building quantum emulators. This calls for new methods for engineering and manipulating of the vortex states. One of the possible routes utilizes type-1.5 superconducting layered systems with multi-scale inter-vortex interactions. In order to explore the possible vortex states that can be engineered, we present two phase diagrams of phenomenological vortex matter models with multi-scale inter-vortex interactions featuring several attractive and repulsive length scales. The phase diagrams exhibit a plethora of phases, including conventional 2D lattice phases, five stripe phases, dimer, trimer, and tetramer phases, void phases, and stable low-temperature disordered phases. The transitions between these states can be controlled by the value of an applied external field.

Evolution of network architecture in a granular material under compression

NASA Astrophysics Data System (ADS)

Bassett, Danielle

As a granular material is compressed, the particles and forces within the system arrange to form complex and heterogeneous collective structures. However, capturing and characterizing the dynamic nature of the intrinsic inhomogeneity and mesoscale architecture of granular systems can be challenging. Here, we utilize multilayer networks as a framework for directly quantifying the evolution of mesoscale architecture in a compressed granular system. We examine a quasi-two-dimensional aggregate of photoelastic disks, subject to biaxial compressions through a series of small, quasistatic steps. Treating particles as network nodes and inter-particle forces as network edges, we construct a multilayer network for the system by linking together the series of static force networks that exist at each strain step. We then extract the inherent mesoscale structure from the system by using a generalization of community detection methods to multilayer networks, and we define quantitative measures to characterize the reconfiguration and evolution of this structure throughout the compression process. To test the sensitivity of the network model to particle properties, we examine whether the method can distinguish a subsystem of low-friction particles within a bath of higher-friction particles. We find that this can be done by considering the network of tangential forces, and that the community structure is better able to separate the subsystem than consideration of the local inter-particle forces alone. The results discussed throughout this study suggest that these novel network science techniques may provide a direct way to compare and classify data from systems under different external conditions or with different physical makeup. National Science Foundation (BCS-1441502, PHY-1554488, and BCS-1631550).

Use of the Cultex® Radial Flow System as an in vitro exposure method to assess acute pulmonary toxicity of fine dusts and nanoparticles with special focus on the intra- and inter-laboratory reproducibility.

PubMed

Steinritz, Dirk; Möhle, Niklas; Pohl, Christine; Papritz, Mirko; Stenger, Bernhard; Schmidt, Annette; Kirkpatrick, Charles James; Thiermann, Horst; Vogel, Richard; Hoffmann, Sebastian; Aufderheide, Michaela

2013-12-05

Exposure of the respiratory tract to airborne particles (including metal-dusts and nano-particles) is considered as a serious health hazard. For a wide range of substances basic knowledge about the toxic properties and the underlying pathomechanisms is lacking or even completely missing. Legislation demands the toxicological characterization of all chemicals placed on the market until 2018 (REACH). As toxicological in vivo data are rare with regard to acute lung toxicity or exhibit distinct limitations (e.g. inter-species differences) and legislation claims the reduction of animal experiments in general ("3R" principle), profound in vitro models have to be established and characterized to meet these requirements. In this paper we characterize a recently introduced advanced in vitro exposure system (Cultex® RFS) showing a great similarity to the physiological in vivo exposure situation for the assessment of acute pulmonary toxicity of airborne materials. Using the Cultex® RFS, human lung epithelial cells (A549 cells) were exposed to different concentrations of airborne metal dusts (nano- and microscale particles) at the air-liquid-interface (ALI). Cell viability (WST-1 assay) as a parameter of toxicity was assessed 24h after exposure with special focus on the intra- and inter-laboratory (three independent laboratories) reproducibility. Our results show the general applicability of the Cultex® RFS with regard to the requirements of the ECVAM (European Centre for the Validation of Alternative Methods) principles on test validity underlining its robustness and stability. Intra- and inter-laboratory reproducibility can be considered as sufficient if predefined quality criteria are respected. Special attention must be paid to the pure air controls that turned out to be a critical parameter for a rational interpretation of the results. Our results are encouraging and future work is planned to improve the inter-laboratory reproducibility, to consolidate the results so far and to develop a valid prediction model. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

1-[6-(1H-Indol-1-yl)pyridin-2-yl]-1H-indole-3-carbaldehyde.

PubMed

Ramathilagam, C; Umarani, P R; Venkatesan, N; Rajakumar, P; Gunasekaran, B; Manivannan, V

2014-02-01

In the title compound, C22H15N3O, the dihedral angle between the two indole units is 33.72 (3)°. The mol-ecular structure features a weak intra-molecular C-H⋯N inter-action. In the crystal, weak C-H⋯O and C-H⋯π inter-actions, forming a two-dimensional network parallel to the bc plane.

2-[(E)-2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-quinolinium 4-fluoro-benzene-sulfonate.

PubMed

Fun, Hoong-Kun; Kobkeatthawin, Thawanrat; Ruanwas, Pumsak; Quah, Ching Kheng; Chantrapromma, Suchada

2014-01-01

In the structure of the title salt, C20H20NO(+)·C6H4FO3S(-), the 4-(eth-oxy-phen-yl)ethenyl unit is disordered over two positions with a refined site-occupancy ratio of 0.610 (6):0.390 (6). The cation is nearly planar, the dihedral angle between the quinolinium and benzene rings being 6.7 (4) and 1.7 (7)° for the major and minor components, respectively. The eth-oxy group is essentially coplanar with the benzene ring [C-O-C-Cmethy = 177.1 (8) and 177.8 (12)° for the major and minor components, respectively]. In the crystal, cations and anions are linked into chains along the b-axis direction by C-H⋯Osulfon-yl weak inter-actions. These chains are further connected into sheets parallel to (001) by C-H⋯Osulfon-yl weak inter-actions. The chains are also stacked along the a axis through π-π inter-actions involving the quinolinium and benzene rings [centroid-centroid distances = 3.636 (5) Å for the major component and 3.800 (9) Å for the minor component]. C-H⋯π inter-actions are also present.

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

Picric acid-2,4,6-trichloro-aniline (1/1).

PubMed

Wang, Wan-Qiang

2011-04-01

In the title adduct, C(6)H(4)Cl(3)N·C(6)H(3)N(3)O(7), the two benzene rings are almost coplanar, with a dihedral angle of 1.19 (1)° and an inter-ring centroid-centroid separation of 4.816 (2) Å. The crystal structure is stabilized by inter-molecular N-H⋯O(nitro) hydrogen bonds, giving a chain structure. In addition, there are phenol-nitro O-H⋯O inter-actions.

Cross-correlation spin noise spectroscopy of heterogeneous interacting spin systems

DOE PAGES

Roy, Dibyendu; Yang, Luyi; Crooker, Scott A.; ...

2015-04-30

Interacting multi-component spin systems are ubiquitous in nature and in the laboratory. As such, investigations of inter-species spin interactions are of vital importance. Traditionally, they are studied by experimental methods that are necessarily perturbative: e.g., by intentionally polarizing or depolarizing one spin species while detecting the response of the other(s). Here, we describe and demonstrate an alternative approach based on multi-probe spin noise spectroscopy, which can reveal inter-species spin interactions - under conditions of strict thermal equilibrium - by detecting and cross-correlating the stochastic fluctuation signals exhibited by each of the constituent spin species. Specifically, we consider a two-component spinmore » ensemble that interacts via exchange coupling, and we determine cross-correlations between their intrinsic spin fluctuations. The model is experimentally confirmed using “two-color” optical spin noise spectroscopy on a mixture of interacting Rb and Cs vapors. Noise correlations directly reveal the presence of inter-species spin exchange, without ever perturbing the system away from thermal equilibrium. These non-invasive and noise-based techniques should be generally applicable to any heterogeneous spin system in which the fluctuations of the constituent components are detectable.« less

A master equation for strongly interacting dipoles

NASA Astrophysics Data System (ADS)

Stokes, Adam; Nazir, Ahsan

2018-04-01

We consider a pair of dipoles such as Rydberg atoms for which direct electrostatic dipole–dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us to include the inter-dipole Coulomb energy within the system Hamiltonian rather than the interaction. In contrast, the standard master equation for a two-dipole system, which depends entirely on well-known gauge-invariant S-matrix elements, is usually derived using the multipolar gauge, wherein there is no explicit inter-dipole Coulomb interaction. We show using a generalised arbitrary-gauge light-matter Hamiltonian that this master equation is obtained in other gauges only if the inter-dipole Coulomb interaction is kept within the interaction Hamiltonian rather than the unperturbed part as in our derivation. Thus, our master equation depends on different S-matrix elements, which give separation-dependent corrections to the standard matrix elements describing resonant energy transfer and collective decay. The two master equations coincide in the large separation limit where static couplings are negligible. We provide an application of our master equation by finding separation-dependent corrections to the natural emission spectrum of the two-dipole system.

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.

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

Curvature-Mediated Assembly of Janus Nanoparticles on Membrane Vesicles.

PubMed

Bahrami, Amir Houshang; Weikl, Thomas R

2018-02-14

Besides direct particle-particle interactions, nanoparticles adsorbed to biomembranes experience indirect interactions that are mediated by the membrane curvature arising from particle adsorption. In this Letter, we show that the curvature-mediated interactions of adsorbed Janus particles depend on the initial curvature of the membrane prior to adsorption, that is, on whether the membrane initially bulges toward or away from the particles in our simulations. The curvature-mediated interaction can be strongly attractive for Janus particles adsorbed to the outside of a membrane vesicle, which initially bulges away from the particles. For Janus particles adsorbed to the vesicle inside, in contrast, the curvature-mediated interactions are repulsive. We find that the area fraction of the adhesive Janus particle surface is an important control parameter for the curvature-mediated interaction and assembly of the particles, besides the initial membrane curvature.

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.

A model to estimate the size of nanoparticle agglomerates in gas-solid fluidized beds

NASA Astrophysics Data System (ADS)

de Martín, Lilian; van Ommen, J. Ruud

2013-11-01

The estimation of nanoparticle agglomerates' size in fluidized beds remains an open challenge, mainly due to the difficulty of characterizing the inter-agglomerate van der Waals force. The current approach is to describe micron-sized nanoparticle agglomerates as micron-sized particles with 0.1-0.2-μm asperities. This simplification does not capture the influence of the particle size on the van der Waals attraction between agglomerates. In this paper, we propose a new description where the agglomerates are micron-sized particles with nanoparticles on the surface, acting as asperities. As opposed to previous models, here the van der Waals force between agglomerates decreases with an increase in the particle size. We have also included an additional force due to the hydrogen bond formation between the surfaces of hydrophilic and dry nanoparticles. The average size of the fluidized agglomerates has been estimated equating the attractive force obtained from this method to the weight of the individual agglomerates. The results have been compared to 54 experimental values, most of them collected from the literature. Our model approximates without a systematic error the size of most of the nanopowders, both in conventional and centrifugal fluidized beds, outperforming current models. Although simple, the model is able to capture the influence of the nanoparticle size, particle density, and Hamaker coefficient on the inter-agglomerate forces.

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.

Low-energy excitations of a Bose-Einstein condensate of rigid rotor molecules

NASA Astrophysics Data System (ADS)

Smith, Joseph; Jones, Evan; Rittenhouse, Seth; Wilson, Ryan; Peden, Brandon

2017-04-01

We investigate the properties of the ground state and low-lying excitations of an oblate Bose-Einstein condensate composed of rigid rotor molecules in the presence of an external polarizing electric field. We build in a quantum model of molecular polarizability by including the full manifold of rotational states. The interplay between spatial and microscopic degrees of freedom via feedback between the molecular polarizability and inter-molecular dipole-dipole interactions leads to a rich quasi-particle spectrum. Under large applied fields, we reproduce the well-understood density-wave rotonization that appears in a fully polarized dipolar BEC, but under smaller applied fields, we predict the emergence of a spin wave instability and possible new stable ground state phases. We gratefully acknowledge support from the National Science Foundation under Grant No. PHYS-1516421.

Luttinger theorem and imbalanced Fermi systems

NASA Astrophysics Data System (ADS)

Pieri, Pierbiagio; Strinati, Giancarlo Calvanese

2017-04-01

The proof of the Luttinger theorem, which was originally given for a normal Fermi liquid with equal spin populations formally described by the exact many-body theory at zero temperature, is here extended to an approximate theory given in terms of a "conserving" approximation also with spin imbalanced populations. The need for this extended proof, whose underlying assumptions are here spelled out in detail, stems from the recent interest in superfluid trapped Fermi atoms with attractive inter-particle interaction, for which the difference between two spin populations can be made large enough that superfluidity is destroyed and the system remains normal even at zero temperature. In this context, we will demonstrate the validity of the Luttinger theorem separately for the two spin populations for any "Φ-derivable" approximation, and illustrate it in particular for the self-consistent t-matrix approximation.

Testing the Rotation Stage in the ARIADNE Axion Experiment

NASA Astrophysics Data System (ADS)

Dargert, Jordan; Lohmeyer, Chloe; Harkness, Mindy; Cunningham, Mark; Fosbinder-Elkins, Harry; Geraci, Andrew; Ariadne Collaboration

2017-04-01

The Axion Resonant InterAction Detection Experiment (ARIADNE) will search for the Peccei-Quinn (PQ) axion, a hypothetical particle that is a dark matter candidate. Using a new technique based on Nuclear Magnetic Resonance, this new method can probe well into the allowed PQ axion mass range. Additionally, it does not rely on cosmological assumptions, meaning that the PQ Axion would be sourced locally. Our project relies on the stability of a rotating segmented source mass and superconducting magnetic shielding. Superconducting shielding is essential for limiting magnetic noise, thus allowing a feasible level of sensitivity required for PQ Axion detection. Progress on testing the stability of the rotary mechanism will be reported, and the design for the superconducting shielding in the experiment will be discussed, along with plans for moving the experiment forward. NSF Grant PHY-1509176.

Bis(N'-{(E)-[(2E)-1,3-di-phenyl-prop-2-en-1-yl-idene]amino}-N-ethyl-carbamimido-thio-ato-κ2N',S)zinc(II): crystal structure and Hirshfeld surface analysis.

PubMed

Tan, Ming Yueh; Crouse, Karen A; Ravoof, Thahira B S A; Jotani, Mukesh M; Tiekink, Edward R T

2017-07-01

The title Zn II complex, [Zn(C 18 H 18 N 3 S) 2 ], (I), features two independent but chemically equivalent mol-ecules in the asymmetric unit. In each, the thio-semicarbazonate monoanion coordinates the Zn II atom via the thiol-ate-S and imine-N atoms, with the resulting N 2 S 2 donor set defining a distorted tetra-hedral geometry. The five-membered ZnSCN 2 chelate rings adopt distinct conformations in each independent mol-ecule, i.e. one ring is almost planar while the other is twisted about the Zn-S bond. In the crystal, the two mol-ecules comprising the asymmetric unit are linked by amine-N-H⋯N(imine) and amine-N-H⋯S(thiol-ate) hydrogen bonds via an eight-membered heterosynthon, {⋯HNCN⋯HNCS}. The dimeric aggregates are further consolidated by benzene-C-H⋯S(thiol-ate) inter-actions and are linked into a zigzag supra-molecular chain along the c axis via amine-N-H⋯S(thiol-ate) hydrogen bonds. The chains are connected into a three-dimensional architecture via phenyl-C-H⋯π(phen-yl) and π-π inter-actions, the latter occurring between chelate and phenyl rings [inter-centroid separation = 3.6873 (11) Å]. The analysis of the Hirshfeld surfaces calculated for (I) emphasizes the different inter-actions formed by the independent mol-ecules in the crystal and the impact of the π-π inter-actions between chelate and phenyl rings.

Spatial Statistics of Deep-Water Ambient Noise; Dispersion Relations for Sound Waves and Shear Waves

DTIC Science & Technology

2014-09-30

marine sediments. New focus is on very fine- grained sediments (silt and clay ). OBJECTIVES 1) The scientific objective of the deep-water ambient...density, grain size and overburden pressure. A new focus is on the inter-particle cohesive forces in silts and clays and their role in controlling wave...algebraic expressions. The GS theory is the basis for new research on very fine-grained sediments (silts and clays ), in which inter-granular cohesion is

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.

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.

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

Besmann, Theodore M; Shin, Dongwon

TRISO coated particle fuel is envisioned as a next generation replacement for current urania pellet fuel in LWR applications. To obtain adequate fissile loading the kernel of the TRISO particle will need to be UN. In support of the fuel development effort, an assessment of phase regions of interest in the U-C-N system was undertaken as the fuel will be prepared by the carbothermic reduction of the oxide and it will be in equilibrium with carbon within the TRISO particle. The phase equilibria and thermochemistry of the U-C-N system is reviewed, including nitrogen pressure measurements above various phase fields. Selectedmore » measurements were used to fit a first order model of the UC1-xNx phase, represented by the inter-solution of UN and UC. Fit to the data was significantly improved by also adjusting the heat of formation for UN by ~12 kJ/mol and the phase equilbria was best reproduced by also adjusting the heat for U2N3 by +XXX. The determined interaction parameters yielded a slightly positive deviation from ideality, which agrees with lattice parameter measurements which show positive deviation from Vegard s law. The resultant model together with reported values for other phases in the system were used to generate isothermal sections of the U-C-N phase diagram. Nitrogen partial pressures were also computed for regions of interest.« less

Non-ideality by sedimentation velocity of halophilic malate dehydrogenase in complex solvents.

PubMed Central

Solovyova, A; Schuck, P; Costenaro, L; Ebel, C

2001-01-01

We have investigated the potential of sedimentation velocity analytical ultracentrifugation for the measurement of the second virial coefficients of proteins, with the goal of developing a method that allows efficient screening of different solvent conditions. This may be useful for the study of protein crystallization. Macromolecular concentration distributions were modeled using the Lamm equation with the approximation of linear concentration dependencies of the diffusion constant, D = D(o) (1 + k(D)c), and the reciprocal sedimentation coefficient s = s(o)/(1 + k(s)c). We have studied model distributions for their information content with respect to the particle and its non-ideal behavior, developed a strategy for their analysis by direct boundary modeling, and applied it to data from sedimentation velocity experiments on halophilic malate dehydrogenase in complex aqueous solvents containing sodium chloride and 2-methyl-2,4-pentanediol, including conditions near phase separation. Using global modeling for three sets of data obtained at three different protein concentrations, very good estimates for k(s) and s degrees and also for D degrees and the buoyant molar mass were obtained. It was also possible to obtain good estimates for k(D) and the second virial coefficients. Modeling of sedimentation velocity profiles with the non-ideal Lamm equation appears as a good technique to investigate weak inter-particle interactions in complex solvents and also to extrapolate the ideal behavior of the particle. PMID:11566761

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

Matter and Interactions: A Particle Physics Perspective

ERIC Educational Resources Information Center

Organtini, Giovanni

2011-01-01

In classical mechanics, matter and fields are completely separated; matter interacts with fields. For particle physicists this is not the case; both matter and fields are represented by particles. Fundamental interactions are mediated by particles exchanged between matter particles. In this article we explain why particle physicists believe in…

Gossip and Distributed Kalman Filtering: Weak Consensus Under Weak Detectability

NASA Astrophysics Data System (ADS)

Kar, Soummya; Moura, José M. F.

2011-04-01

The paper presents the gossip interactive Kalman filter (GIKF) for distributed Kalman filtering for networked systems and sensor networks, where inter-sensor communication and observations occur at the same time-scale. The communication among sensors is random; each sensor occasionally exchanges its filtering state information with a neighbor depending on the availability of the appropriate network link. We show that under a weak distributed detectability condition: 1. the GIKF error process remains stochastically bounded, irrespective of the instability properties of the random process dynamics; and 2. the network achieves \\emph{weak consensus}, i.e., the conditional estimation error covariance at a (uniformly) randomly selected sensor converges in distribution to a unique invariant measure on the space of positive semi-definite matrices (independent of the initial state.) To prove these results, we interpret the filtered states (estimates and error covariances) at each node in the GIKF as stochastic particles with local interactions. We analyze the asymptotic properties of the error process by studying as a random dynamical system the associated switched (random) Riccati equation, the switching being dictated by a non-stationary Markov chain on the network graph.

Density Scaling of Glassy Dynamics and Dynamic Heterogeneities in Glass-forming Liquids.

NASA Astrophysics Data System (ADS)

Hu, Yuan-Chao; Yang, Yong; Wang, Wei-Hua

The discovery of density scaling in strongly correlating systems is an important progress for understanding the dynamic behaviors of supercooled liquids. Here we found for a ternary metallic glass-forming liquid, it is not strongly correlating thermodynamically, but its average dynamics, dynamic heterogeneities and static structure are still well described by density scaling with the same scaling exponent γ. As an intrinsic material constant stemming from the fundamental interatomic interactions, γ is theoretically predicted from the thermodynamic fluctuations of 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 glass-formers. The supercooled dynamics and density scaling behaviors will also be discussed in model glass-forming liquids with tunable attractive potentials to further quantify the nonperturbative roles of attractive interactions. We acknowledge the support from ''Peter Ho Conference Scholarships'' of City University of Hong Kong.

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

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.

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.

Instability of Bose-Einstein condensation into the one-particle ground state on quantum graphs under repulsive perturbations

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

Bolte, Jens, E-mail: jens.bolte@rhul.ac.uk; Kerner, Joachim, E-mail: joachim.kerner@fernuni-hagen.de

In this paper we investigate Bose-Einstein condensation into the one-particle ground state in interacting quantum many-particle systems on graphs. We extend previous results obtained for particles on an interval and show that even arbitrarily small repulsive two-particle interactions destroy the condensate in the one-particle ground state present in the non-interacting Bose gas. Our results also cover singular two-particle interactions, such as the well-known Lieb-Liniger model, in the thermodynamic limit.

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.

Phase space trajectories and Lyapunov exponents in the dynamics of an alpha-helical protein lattice with intra- and inter-spine interactions

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

Angelin Jeba, K.; Latha, M. M., E-mail: lathaisaac@yahoo.com; Jain, Sudhir R.

2015-11-15

The nonlinear dynamics of intra- and inter-spine interaction models of alpha-helical proteins is investigated by proposing a Hamiltonian using the first quantized operators. Hamilton's equations of motion are derived, and the dynamics is studied by constructing the trajectories and phase space plots in both cases. The phase space plots display a chaotic behaviour in the dynamics, which opens questions about the relationship between the chaos and exciton-exciton and exciton-phonon interactions. This is verified by plotting the Lyapunov characteristic exponent curves.

Simulation of Turbulent Combustion Fields of Shock-Dispersed Aluminum Using the AMR Code

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

Kuhl, A L; Bell, J B; Beckner, V E

2006-11-02

We present a Model for simulating experiments of combustion in Shock-Dispersed-Fuel (SDF) explosions. The SDF charge consisted of a 0.5-g spherical PETN booster, surrounded by 1-g of fuel powder (flake Aluminum). Detonation of the booster charge creates a high-temperature, high-pressure source (PETN detonation products gases) that both disperses the fuel and heats it. Combustion ensues when the fuel mixes with air. The gas phase is governed by the gas-dynamic conservation laws, while the particle phase obeys the continuum mechanics laws for heterogeneous media. The two phases exchange mass, momentum and energy according to inter-phase interaction terms. The kinetics model usedmore » an empirical particle burn relation. The thermodynamic model considers the air, fuel and booster products to be of frozen composition, while the Al combustion products are assumed to be in equilibrium. The thermodynamic states were calculated by the Cheetah code; resulting state points were fit with analytic functions suitable for numerical simulations. Numerical simulations of combustion of an Aluminum SDF charge in a 6.4-liter chamber were performed. Computed pressure histories agree with measurements.« less

Ballistic properties of ejecta from a laser shock-loaded groove: smoothed particles hydrodynamics compared with experiments

NASA Astrophysics Data System (ADS)

Roland, Caroline; de Resseguier, Thibaut; Sollier, Arnaud; Lescoute, Emilien; Tangiang, Diouwel; Toulminet, Marc; Soulard, Laurent

2017-06-01

The interaction of a shock wave with a rough free surface may lead to micrometric material ejection of high velocity (km/s-order). This microjetting phenomenon is a key issue for many applications, such as industrial safety, pyrotechnics or inertial confinement fusion experiments. We have studied this process from single V-shaped grooves of various angles in copper and tin samples shock-loaded by a high energy laser. Experimental details are presented elsewhere in this conference [T. de Rességuier, C. Roland et al., abstract #000154]. As the Smoothed Particles Hydrodynamics formulation is well-suited for the high strains involved in jet expansion and for subsequent fragmentation, this mesh-free method was chosen to simulate microjetting. Computed predictions are compared to experimental results including jet tip and planar surface velocities, spall fracture, and size distribution of the fragments inferred from both fast shadowgraphy and post-recovery observations. Special focus is made on the dependence of the ballistic properties (velocity and mass distributions) of the ejecta on numerical parameters such as the initial inter-particular distance, the smoothing length and a random noise introduced to simulate inner irregularities of the material.

Modeling plasma loudspeakers.

PubMed

Béquin, Ph; Castor, K; Herzog, Ph; Montembault, V

2007-04-01

This paper deals with the acoustic modeling and measurement of a needle-to-grid plasma loudspeaker using a negative Corona discharge. In the first part, we summarize the model described in previous papers, where the electrode gap is divided into a charged particle production region near the needle and a drift region which occupies most of the inter-electrode gap. In each region, interactions between charged and neutral particles in the ionized gas lead to a perturbation of the surrounding air, and thus generate an acoustic field. In each region, viewed as a separate acoustic source, an acoustical model requiring only a few parameters is proposed. In the second part of the paper, an experimental setup is presented for measuring acoustic pressures and directivities. This setup was developed and used to study the evolution of the parameters with physical properties, such as the geometrical and electrical configuration and the needle material. In the last part of this paper, a study on the electroacoustic efficiency of the plasma loudspeaker is described, and differences with respect to the design parameters are analyzed. Although this work is mainly aimed at understanding transduction phenomena, it may be found useful for the development of an audio loudspeaker.

Acoustically mediated long-range interaction among multiple spherical particles exposed to a plane standing wave

NASA Astrophysics Data System (ADS)

Zhang, Shenwei; Qiu, Chunyin; Wang, Mudi; Ke, Manzhu; Liu, Zhengyou

2016-11-01

In this work, we study the acoustically mediated interaction forces among multiple well-separated spherical particles trapped in the same node or antinode plane of a standing wave. An analytical expression of the acoustic interaction force is derived, which is accurate even for the particles beyond the Rayleigh limit. Interestingly, the multi-particle system can be decomposed into a series of independent two-particle systems described by pairwise interactions. Each pairwise interaction is a long-range interaction, as characterized by a soft oscillatory attenuation (at the power exponent of n = -1 or -2). The vector additivity of the acoustic interaction force, which is not well expected considering the nonlinear nature of the acoustic radiation force, is greatly useful for exploring a system consisting of a large number of particles. The capability of self-organizing a big particle cluster can be anticipated through such acoustically controllable long-range interaction.

Transient inter-cellular polymeric linker.

PubMed

Ong, Siew-Min; He, Lijuan; Thuy Linh, Nguyen Thi; Tee, Yee-Han; Arooz, Talha; Tang, Guping; Tan, Choon-Hong; Yu, Hanry

2007-09-01

Three-dimensional (3D) tissue-engineered constructs with bio-mimicry cell-cell and cell-matrix interactions are useful in regenerative medicine. In cell-dense and matrix-poor tissues of the internal organs, cells support one another via cell-cell interactions, supplemented by small amount of the extra-cellular matrices (ECM) secreted by the cells. Here we connect HepG2 cells directly but transiently with inter-cellular polymeric linker to facilitate cell-cell interaction and aggregation. The linker consists of a non-toxic low molecular-weight polyethyleneimine (PEI) backbone conjugated with multiple hydrazide groups that can aggregate cells within 30 min by reacting with the aldehyde handles on the chemically modified cell-surface glycoproteins. The cells in the cellular aggregates proliferated; and maintained the cortical actin distribution of the 3D cell morphology while non-aggregated cells died over 7 days of suspension culture. The aggregates lost distinguishable cell-cell boundaries within 3 days; and the ECM fibers became visible around cells from day 3 onwards while the inter-cellular polymeric linker disappeared from the cell surfaces over time. The transient inter-cellular polymeric linker can be useful for forming 3D cellular and tissue constructs without bulk biomaterials or extensive network of engineered ECM for various applications.

Hot particles attract in a cold bath

NASA Astrophysics Data System (ADS)

Tanaka, Hidenori; Lee, Alpha A.; Brenner, Michael P.

2017-04-01

Controlling interactions out of thermodynamic equilibrium is crucial for designing addressable and functional self-organizing structures. These active interactions also underpin collective behavior in biological systems. Here we study a general setting of active particles in a bath of passive particles and demonstrate a mechanism for long-range attraction between active particles. The mechanism operates when the translational persistence length of the active particle motion is smaller than the particle diameter. In this limit, the system reduces to particles of higher diffusivity ("hot" particles) in a bath of particles with lower diffusivity ("cold" particles). This attractive interaction arises as a hot particle pushes cold particles away to create a large hole around itself, and the holes interact via a depletion-like attraction. Strikingly, the interaction range is more than an order of magnitude larger than the particle radius, well beyond the range of the conventional depletion force. Although the mechanism occurs outside the parameter regime of typical biological swimmers, the mechanism could be realized in the laboratory.

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

2,2'-(Carbono-thio-yldisulfanedi-yl)bis-(2-methyl-propanoic acid).

PubMed

Moreno-Fuquen, Rodolfo; Grande, Carlos; Advincula, Rigoberto C; Tenorio, Juan C; Ellena, Javier

2013-05-01

The mol-ecular structure of the title compound, C9H14O4S3, exhibits intra-molecular C-H⋯S hydrogen bonds. In the crystal, pairs of O-H⋯O hydrogen bonds lead to the formation of centrosymmetric dimers, which are in turn connected by weak C-H⋯O inter-actions. The combination of these inter-actions generates edge-fused R 2 (2)(8) and R 2 (2)(20) rings running along [211].

Photophysics of detection of explosive vapours via luminescence quenching of thin films: impact of inter-molecular interactions.

PubMed

Shoaee, Safa; Fan, Shengqiang; Burn, Paul L; Shaw, Paul E

2016-09-21

Fluorescence-based detection of explosive analytes requires an understanding of the nature of the excited state responsible for the luminescence response of a sensing material. Many measurements are carried out to elucidate the fundamental photophysical properties of an emissive material in solution. However, simple transfer of the understanding gained from the solution measurements to the solid-state can lead to errors. This is in part due to the absence of inter-molecular interactions of the chromophores in solution, which are present in the solid-state. To understand the role of inter-molecular interactions on the detection of explosive analytes we have chosen dendrimers from two different families, D1 and D2, which allow facile control of the inter-molecular interactions through the choice of dendrons and emissive chromophores. Using ultrafast transient absorption spectroscopy we find that the solution photoinduced absorption (PA) for both materials can be explained in terms of the generation of singlet excitons, which decay to the ground state, or intersystem cross (ISC) to form a triplet exciton. In neat films however, we observe different photophysical behaviours; first, ISC to the triplet state does not occur, and second, depending on the chromophore, charge transfer and charge separated states are formed. Furthermore, we find that when either dendrimer is interfaced with analyte vapour, the singlet state is strongly quenched, generating a charge transfer state that undergoes geminate recombination.

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.

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.

Inter-firm Networks, Organizational Learning and Knowledge Updating: An Empirical Study

NASA Astrophysics Data System (ADS)

Zhang, Su-rong; Wang, Wen-ping

In the era of knowledge-based economy which information technology develops rapidly, the rate of knowledge updating has become a critical factor for enterprises to gaining competitive advantage .We build an interactional theoretical model among inter-firm networks, organizational learning and knowledge updating thereby and demonstrate it with empirical study at last. The result shows that inter-firm networks and organizational learning is the source of knowledge updating.

GYROSURFING ACCELERATION OF IONS IN FRONT OF EARTH's QUASI-PARALLEL BOW SHOCK

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

Kis, Arpad; Lemperger, Istvan; Wesztergom, Viktor

2013-07-01

It is well known that shocks in space plasmas can accelerate particles to high energies. However, many details of the shock acceleration mechanism are still unknown. A critical element of shock acceleration is the injection problem; i.e., the presence of the so called seed particle population that is needed for the acceleration to work efficiently. In our case study, we present for the first time observational evidence of gyroresonant surfing acceleration in front of Earth's quasi-parallel bow shock resulting in the appearance of the long-suspected seed particle population. For our analysis, we use simultaneous multi-spacecraft measurements provided by the Clustermore » spacecraft ion (CIS), magnetic (FGM), and electric field and wave instrument (EFW) during a time period of large inter-spacecraft separation distance. The spacecraft were moving toward the bow shock and were situated in the foreshock region. The results show that the gyroresonance surfing acceleration takes place as a consequence of interaction between circularly polarized monochromatic (or quasi-monochromatic) transversal electromagnetic plasma waves and short large amplitude magnetic structures (SLAMSs). The magnetic mirror force of the SLAMS provides the resonant conditions for the ions trapped by the waves and results in the acceleration of ions. Since wave packets with circular polarization and different kinds of magnetic structures are very commonly observed in front of Earth's quasi-parallel bow shock, the gyroresonant surfing acceleration proves to be an important particle injection mechanism. We also show that seed ions are accelerated directly from the solar wind ion population.« less

Design principles for wave plate metasurfaces using plasmonic L-shaped nanoantennas

NASA Astrophysics Data System (ADS)

Tahir, Asad A.; Schulz, Sebastian A.; De Leon, Israel; Boyd, Robert W.

2017-03-01

Plasmonic L-shaped antennas are an important building block of metasurfaces and have been used to fabricate ultra-thin wave plates. In this work we present principles that can be used to design wave plates at a wavelength of choice and for diverse application requirements using arrays of L-shaped plasmonic antennas. We derive these design principles by studying the behavior of the vast parameter space of these antenna arrays. We show that there are two distinct regimes: a weak inter-particle coupling and a strong inter-particle coupling regime. We describe the behavior of the antenna array in each regime with regards to wave plate functionality, without resorting to approximate theoretical models. Our work is the first to explain these design principles and serves as a guide for designing wave plates for specific application requirements using plasmonic L-shaped antenna arrays.

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.

Spin-wave dynamics and exchange interactions in multiferroic NdFe3(BO3)4 explored by inelastic neutron scattering

NASA Astrophysics Data System (ADS)

Golosovsky, I. V.; Ovsyanikov, A. K.; Aristov, D. N.; Matveeva, P. G.; Mukhin, A. A.; Boehm, M.; Regnault, L.-P.; Bezmaternykh, L. N.

2018-04-01

Magnetic excitations and exchange interactions in multiferroic NdFe3(BO3)4 were studied by inelastic neutron scattering in the phase with commensurate antiferromagnetic structure. The observed spectra were analyzed in the frame of the linear spin-wave theory. It was shown that only the model, which includes the exchange interactions within eight coordination spheres, describes satisfactorily all observed dispersion curves. The calculation showed that the spin-wave dynamics is governed by the strongest antiferromagnetic intra-chain interaction and three almost the same inter-chain interactions. Other interactions, including ferromagnetic exchange, appeared to be insignificant. The overall energy balance of the antiferromagnetic inter-chain exchange interactions, which couple the moments from the adjacent ferromagnetic layers as well as within a layer, stabilizes ferromagnetic arrangement in the latter. It demonstrates that the pathway geometry plays a crucial role in forming of the magnetic structure.

Crystal structures of (±)-(1SR,5SR,6SR,7SR,10SR,11SR,13RS,14SR)-13-hy-droxy-7-meth-oxy-meth-oxy-11,15,18,18-tetra-methyl-3-oxo-2,4-dioxa-tetra-cyclo-[12.3.1.0(1,5).0(6,11)]octa-dec-15-en-10-yl benzoate, its 13-epimer and 13-one derivative.

PubMed

Oishi, Takeshi; Fukaya, Keisuke; Yamaguchi, Yu; Sugai, Tomoya; Watanabe, Ami; Sato, Takaaki; Chida, Noritaka

2015-05-01

The title compounds, C29H38O8·0.25C5H12, (A), C29H38O8, (B), and C29H36O8, (C), are tetra-cyclic benzoates possessing a taxane skeleton with a fused dioxolane ring as the core structure. In the asymmetric unit of (A), there are two independent benzoate mol-ecules (A and A') and a half mol-ecule of solvent pentane disordered about an inversion center. The mol-ecular conformations of (A), (B) and (C) are similar except for the flexible meth-oxy-meth-oxy group. The cyclo-hexane, cyclo-hexene and central cyclo-octane rings adopt chair, half-chair and chair-chair (extended crown) forms, respectively. The dioxolane rings are essentially planar, while the dioxolane ring of A' is slightly twisted from the mean plane. In the crystal of (A), inter-molecular O-H⋯O, C-H⋯O and C-H⋯π inter-actions link the independent benzoates alternately, forming a chain structure. In the crystals of (B) and (C), mol-ecules are linked through O-H⋯O and C-H⋯π inter-actions, and C-H⋯O hydrogen bonds, respectively, into similar chains. Further, weak inter-molecular C-H⋯O inter-actions connect the chains into a three-dimensional network in (A) and a sheet in (B), whereas no other interactions are observed for (C).

μ-Carbonato-bis-(bis-{2-[(diethyl-amino)-meth-yl]phen-yl}bis-muth(III)).

PubMed

Soran, Albert P; Nema, Mihai G; Breunig, Hans J; Silvestru, Cristian

2011-01-12

The mol-ecular structure of the title compound, [Bi(2)(C(11)H(16)N)(4)(CO(3))], consists of a symmetrically bridging carbonato group which binds two [2-Et(2)NCH(2)C(6)H(4)](2)Bi units that are crystallographically related via a twofold rotation axis bis-ecting the carbonate group. The two Bi atoms and two of the C atoms directly bonded to bis-muth are quasi-planar [deviations of 0.323 (1) and 0.330 (9)Å for the Bi and C atoms, respectively] with the carbonate group. The remaining two ligands are in a trans arrangement relative to the quasi-planar (CBi)(2)CO(3) system. The metal atom is strongly coordinated by the N atom of one pendant arm [Bi-N = 2.739 (6) Å], almost trans to the O atom, while the N atom of the other pendant arm exhibits a weaker intra-molecular inter-action [Bi⋯N = 3.659 (7) Å] almost trans to a C atom. If both these intra-molecular N→Bi inter-actions per metal atom are considered, the overall coordination geometry at bis-muth becomes distorted square-pyramidal [(C,N)(2)BiO cores] and the compound can be described as a hypervalent 12-Bi-5 species. Additional quite short intra-molecular Bi⋯O inter-actions are also present [3.796 (8)-4.020 (9) Å]. Inter-molecular associations through weak η(6)⋯Bi inter-actions [Bi⋯centroid of benzene ring = 3.659 (1) Å] lead to a ribbon-like supra-molecular association.

1,3-Bis(chloro-meth-yl)-2-methyl-5-nitro-benzene.

PubMed

Shao, Chang-Lun; Li, Chunyuan; Liu, Zhen; Wei, Mei-Yan; Wang, Chang-Yun

2008-03-20

The title compound, C(9)H(9)Cl(2)NO(2), is a natural product isolated from the endophytic fungus No. B77 of the mangrove tree from the South China Sea coast. In the crystal structure, the mol-ecules lie on twofold axes and form offset stacks through face-to-face π-π inter-actions. Adjacent mol-ecules in each stack are related by a centre of inversion and have an inter-planar separation of 3.53 (1) Å, with a centroid-centroid distance of 3.76 (1) Å. Between stacks, there are C-H⋯O inter-actions to the nitro groups and Cl⋯Cl contacts of 3.462 (1) Å.

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

NIRS-Based Hyperscanning Reveals Inter-brain Neural Synchronization during Cooperative Jenga Game with Face-to-Face Communication.

PubMed

Liu, Ning; Mok, Charis; Witt, Emily E; Pradhan, Anjali H; Chen, Jingyuan E; Reiss, Allan L

2016-01-01

Functional near-infrared spectroscopy (fNIRS) is an increasingly popular technology for studying social cognition. In particular, fNIRS permits simultaneous measurement of hemodynamic activity in two or more individuals interacting in a naturalistic setting. Here, we used fNIRS hyperscanning to study social cognition and communication in human dyads engaged in cooperative and obstructive interaction while they played the game of Jenga™. Novel methods were developed to identify synchronized channels for each dyad and a structural node-based spatial registration approach was utilized for inter-dyad analyses. Strong inter-brain neural synchrony (INS) was observed in the posterior region of the right middle and superior frontal gyrus, in particular Brodmann area 8 (BA8), during cooperative and obstructive interaction. This synchrony was not observed during the parallel game play condition and the dialog section, suggesting that BA8 was involved in goal-oriented social interaction such as complex interactive movements and social decision-making. INS was also observed in the dorsomedial prefrontal cortex (dmPFC), in particular Brodmann 9, during cooperative interaction only. These additional findings suggest that BA9 may be particularly engaged when theory-of-mind (ToM) is required for cooperative social interaction. The new methods described here have the potential to significantly extend fNIRS applications to social cognitive research.

Self assembly of anisotropic colloidal particles

NASA Astrophysics Data System (ADS)

Florea, Daniel; Wyss, Hans

2012-02-01

Colloidal particles have been successfully used as ''model atoms'', as their behavior can be more directly studied than that of atoms or molecules by direct imaging in a confocal microscope. Most studies have focussed on spherical particles with isotropic interactions. However, a range of interesting materials such as many supramolecular polymers or biopolymers exhibit highly directional interactions. To capture their behavior in colloidal model systems, particles with anisotropic interactions are clearly required. Here we use a colloidal system of nonspherical colloids, where highly directional interactions can be induced via depletion. By biaxially stretching spherical PMMA particles we create oblate spheroidal particles. We induce attractive interactions between these particles by adding a non-adsorbing polymer to the background liquid. The resulting depletion interaction is stronger along the minor axis of the oblate spheroids. We study the phase behavior of these materials as a function of the ellipsoid aspect ratio, the strength of the depletion interactions, and the particle concentration. The resulting morphologies are qualitatively different from those observed with spherical particles. This can be exploited for creating new materials with tailored structures.

Merging for Particle-Mesh Complex Particle Kinetic Modeling of the Multiple Plasma Beams

NASA Technical Reports Server (NTRS)

Lipatov, Alexander S.

2011-01-01

We suggest a merging procedure for the Particle-Mesh Complex Particle Kinetic (PMCPK) method in case of inter-penetrating flow (multiple plasma beams). We examine the standard particle-in-cell (PIC) and the PMCPK methods in the case of particle acceleration by shock surfing for a wide range of the control numerical parameters. The plasma dynamics is described by a hybrid (particle-ion-fluid-electron) model. Note that one may need a mesh if modeling with the computation of an electromagnetic field. Our calculations use specified, time-independent electromagnetic fields for the shock, rather than self-consistently generated fields. While a particle-mesh method is a well-verified approach, the CPK method seems to be a good approach for multiscale modeling that includes multiple regions with various particle/fluid plasma behavior. However, the CPK method is still in need of a verification for studying the basic plasma phenomena: particle heating and acceleration by collisionless shocks, magnetic field reconnection, beam dynamics, etc.

MD Simulation on Collision Behavior Between Nano-Scale TiO₂ Particles During Vacuum Cold Spraying.

PubMed

Yao, Hai-Long; Yang, Guan-Jun; Li, Chang-Jiu

2018-04-01

Particle collision behavior influences significantly inter-nano particle bonding formation during the nano-ceramic coating deposition by vacuum cold spraying (or aerosol deposition method). In order to illuminate the collision behavior between nano-scale ceramic particles, molecular dynamic simulation was applied to explore impact process between nano-scale TiO2 particles through controlling impact velocities. Results show that the recoil efficiency of the nano-scale TiO2 particle is decreased with the increase of the impact velocity. Nano-scale TiO2 particle exhibits localized plastic deformation during collision at low velocities, while it is intensively deformed by collision at high velocities. This intensive deformation promotes the nano-particle adhesion rather than rebounding off. A relationship between the adhesion energy and the rebound energy is established for the bonding formation of the nano-scale TiO2 particle. The adhesion energy required to the bonding formation between nano-scale ceramic particles can be produced by high velocity collision.

Infinite Systems of Interacting Chains with Memory of Variable Length—A Stochastic Model for Biological Neural Nets

NASA Astrophysics Data System (ADS)

Galves, A.; Löcherbach, E.

2013-06-01

We consider a new class of non Markovian processes with a countable number of interacting components. At each time unit, each component can take two values, indicating if it has a spike or not at this precise moment. The system evolves as follows. For each component, the probability of having a spike at the next time unit depends on the entire time evolution of the system after the last spike time of the component. This class of systems extends in a non trivial way both the interacting particle systems, which are Markovian (Spitzer in Adv. Math. 5:246-290, 1970) and the stochastic chains with memory of variable length which have finite state space (Rissanen in IEEE Trans. Inf. Theory 29(5):656-664, 1983). These features make it suitable to describe the time evolution of biological neural systems. We construct a stationary version of the process by using a probabilistic tool which is a Kalikow-type decomposition either in random environment or in space-time. This construction implies uniqueness of the stationary process. Finally we consider the case where the interactions between components are given by a critical directed Erdös-Rényi-type random graph with a large but finite number of components. In this framework we obtain an explicit upper-bound for the correlation between successive inter-spike intervals which is compatible with previous empirical findings.

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.

Intraguild predation may reinforce a species-environment gradient

NASA Astrophysics Data System (ADS)

MacNeil, Calum; Dick, Jaimie T. A.

2012-05-01

Species-environment gradients are ubiquitous in nature, with studies often partially explaining the replacement of species along such gradients by autecological factors such as differential physiological tolerances. However, lacking direct evidence, the majority of studies only infer some form of inter-specific interaction, often competition, as reinforcing these gradients. There is usually the further implication that environmental factors mediate asymmetries in the interaction. Recognising the lack of explicit experimental considerations of how key inter-specific interactions are modified by the environment, we chose a study system where we were able to bring the species in question into the laboratory and conduct experiments to test hypotheses about gradient-induced asymmetries in an inter-specific interaction. To this end, we tested the hypothesis that a species-salinity gradient may be reinforced by changes in the asymmetry of intraguild predation between two species of amphipod crustaceans with wide salinity tolerances. River and estuary surveys showed that Gammarus duebeni and Gammarus zaddachi have overlapping distributions, with both surviving and reproducing in salinities ranging from freshwater to fully marine. However, the former species is relatively more abundant in low salinities and the latter in higher salinities. In the laboratory, survival of both species was high in all salinities and cannibalism occurred at low frequencies. However, intraguild predation by males on moulted females was asymmetric in favour of G. duebeni at low salinities, this asymmetry completely reversing to favour G. zaddachi at higher salinities. Thus, we provide evidence that this species-environment gradient occurs due to overlapping physiological tolerances and salinity-driven shifts in the asymmetry of a key inter-specific interaction, intraguild predation.

Chemical Continuous Time Random Walks

NASA Astrophysics Data System (ADS)

Aquino, T.; Dentz, M.

2017-12-01

Traditional methods for modeling solute transport through heterogeneous media employ Eulerian schemes to solve for solute concentration. More recently, Lagrangian methods have removed the need for spatial discretization through the use of Monte Carlo implementations of Langevin equations for solute particle motions. While there have been recent advances in modeling chemically reactive transport with recourse to Lagrangian methods, these remain less developed than their Eulerian counterparts, and many open problems such as efficient convergence and reconstruction of the concentration field remain. We explore a different avenue and consider the question: In heterogeneous chemically reactive systems, is it possible to describe the evolution of macroscopic reactant concentrations without explicitly resolving the spatial transport? Traditional Kinetic Monte Carlo methods, such as the Gillespie algorithm, model chemical reactions as random walks in particle number space, without the introduction of spatial coordinates. The inter-reaction times are exponentially distributed under the assumption that the system is well mixed. In real systems, transport limitations lead to incomplete mixing and decreased reaction efficiency. We introduce an arbitrary inter-reaction time distribution, which may account for the impact of incomplete mixing. This process defines an inhomogeneous continuous time random walk in particle number space, from which we derive a generalized chemical Master equation and formulate a generalized Gillespie algorithm. We then determine the modified chemical rate laws for different inter-reaction time distributions. We trace Michaelis-Menten-type kinetics back to finite-mean delay times, and predict time-nonlocal macroscopic reaction kinetics as a consequence of broadly distributed delays. Non-Markovian kinetics exhibit weak ergodicity breaking and show key features of reactions under local non-equilibrium.

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.

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.

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.

Inter/intramolecular Cherenkov radiation energy transfer (CRET) from a fluorophore with a built-in radionuclide.

PubMed

Bernhard, Yann; Collin, Bertrand; Decréau, Richard A

2014-06-28

The Cherenkov radiation (CR) from [(18)F]-FDG, [(177)Lu]-LuCl3 and [(90)Y]-YCl3 was detected and CR energy transfer (CRET) to several fluorophores was examined. Subsequent fluorescence emission was found to be a function of the position of absorption bands with respect to the CR peak, energy of emitted particles, radionuclide/fluorophore loading, and fluorophore brightness. A variant of the best fluorophore with a built-in radionuclide was synthesized to achieve inter- and intra-molecular CRET.

Particle-Surface Interaction Model and Method of Determining Particle-Surface Interactions

NASA Technical Reports Server (NTRS)

Hughes, David W. (Inventor)

2012-01-01

A method and model of predicting particle-surface interactions with a surface, such as the surface of a spacecraft. The method includes the steps of: determining a trajectory path of a plurality of moving particles; predicting whether any of the moving particles will intersect a surface; predicting whether any of the particles will be captured by the surface and/or; predicting a reflected trajectory and velocity of particles reflected from the surface.

Evidence for quorum sensing and differential metabolite production by a marine bacterium in response to DMSP.

PubMed

Johnson, Winifred M; Kido Soule, Melissa C; Kujawinski, Elizabeth B

2016-09-01

Microbes, the foundation of the marine foodweb, do not function in isolation, but rather rely on molecular level interactions among species to thrive. Although certain types of interactions between autotrophic and heterotrophic microorganisms have been well documented, the role of specific organic molecules in regulating inter-species relationships and supporting growth are only beginning to be understood. Here, we examine one such interaction by characterizing the metabolic response of a heterotrophic marine bacterium, Ruegeria pomeroyi DSS-3, to growth on dimethylsulfoniopropionate (DMSP), an abundant organosulfur metabolite produced by phytoplankton. When cultivated on DMSP, R. pomeroyi synthesized a quorum-sensing molecule, N-(3-oxotetradecanoyl)-l-homoserine lactone, at significantly higher levels than during growth on propionate. Concomitant with the production of a quorum-sensing molecule, we observed differential production of intra- and extracellular metabolites including glutamine, vitamin B2 and biosynthetic intermediates of cyclic amino acids. Our metabolomics data indicate that R. pomeroyi changes regulation of its biochemical pathways in a manner that is adaptive for a cooperative lifestyle in the presence of DMSP, in anticipation of phytoplankton-derived nutrients and higher microbial density. This behavior is likely to occur on sinking marine particles, indicating that this response may impact the fate of organic matter.

Using business intelligence for efficient inter-facility patient transfer.

PubMed

Haque, Waqar; Derksen, Beth Ann; Calado, Devin; Foster, Lee

2015-01-01

In the context of inter-facility patient transfer, a transfer operator must be able to objectively identify a destination which meets the needs of a patient, while keeping in mind each facility's limitations. We propose a solution which uses Business Intelligence (BI) techniques to analyze data related to healthcare infrastructure and services, and provides a web based system to identify optimal destination(s). The proposed inter-facility transfer system uses a single data warehouse with an Online Analytical Processing (OLAP) cube built on top that supplies analytical data to multiple reports embedded in web pages. The data visualization tool includes map based navigation of the health authority as well as an interactive filtering mechanism which finds facilities meeting the selected criteria. The data visualization is backed by an intuitive data entry web form which safely constrains the data, ensuring consistency and a single version of truth. The overall time required to identify the destination for inter-facility transfers is reduced from hours to a few minutes with this interactive solution.

Electrical percolation threshold of magnetostrictive inclusions in a piezoelectric matrix under simulated sintering conditions

NASA Astrophysics Data System (ADS)

Bedard, Antoine Joseph; Barbero, Ever J.

2018-03-01

Magnetoelectric (ME) composites can be produced by embedding magnetostrictive H particles in a piezoelectric E matrix derived from a piezoelectric powder precursor. Previously, using a bi-disperse hard-shell model (Barbero and Bedard in Comput Part Mech, 2018. https://doi.org/10.1007/s40571-017-0165-4), it has been shown that the electrical percolation threshold of the conductive H phase can be increased by decreasing the piezoelectric E particle size, relative to the H phase particle size, and by increasing short-range affinity between the E and H particles. This study builds on our previous study by exploring what happens during sintering of the ME composite when either the H or E particles undergo deformation. It was found that deformation of the H particles reduces the percolation threshold, and that deformation of E particles increases inter-phase H-E mechanical coupling, thus contributing to enhancing of ME coupling.

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.

Pickup Ion Mass Spectrometry for Surface Bounded Exospheres and Composition Mapping of Lunar and Planetary Surfaces

NASA Technical Reports Server (NTRS)

Keller, J. W.; Zurbuchen, T. H.; Baragiola, R. A.; Cassidy, T. A.; Chornay, D. J.; Collier, M. R.; Hartle, R. E.; Johnson, R. E.; Killen, R. M.; Koehn, P.

2005-01-01

Many of the small to medium sized objects in the solar system can be characterized as having surface bounded exospheres, or atmospheres so tenuous that scale lengths for inter-particle collisions are much larger than the dimensions of the objects. The atmospheres of these objects are the product of their surfaces, both the surface composition and the interactions that occur on them and also their interiors when gases escape from there. Thus by studying surface bounded exospheres it is possible to develop insight into the composition and processes that are taking place on the surface and interiors of these objects. The Moon and Mercury are two examples of planetary bodies with surface bounded exospheres that have been studied through spectroscopic observations of sodium, potassium, and, on the moon, mass spectrometric measurements of lunar gases such as argon and helium.

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.

Direct measurement of nonlocal entanglement of two-qubit spin quantum states.

PubMed

Cheng, Liu-Yong; Yang, Guo-Hui; Guo, Qi; Wang, Hong-Fu; Zhang, Shou

2016-01-18

We propose efficient schemes of direct concurrence measurement for two-qubit spin and photon-polarization entangled states via the interaction between single-photon pulses and nitrogen-vacancy (NV) centers in diamond embedded in optical microcavities. For different entangled-state types, diversified quantum devices and operations are designed accordingly. The initial unknown entangled states are possessed by two spatially separated participants, and nonlocal spin (polarization) entanglement can be measured with the aid of detection probabilities of photon (NV center) states. This non-demolition entanglement measurement manner makes initial entangled particle-pair avoid complete annihilation but evolve into corresponding maximally entangled states. Moreover, joint inter-qubit operation or global qubit readout is not required for the presented schemes and the final analyses inform favorable performance under the current parameters conditions in laboratory. The unique advantages of spin qubits assure our schemes wide potential applications in spin-based solid quantum information and computation.

Dynamics and interactions of particles in a thermophoretic trap

NASA Astrophysics Data System (ADS)

Foster, Benjamin; Fung, Frankie; Fieweger, Connor; Usatyuk, Mykhaylo; Gaj, Anita; DeSalvo, B. J.; Chin, Cheng

2017-08-01

We investigate dynamics and interactions of particles levitated and trapped by the thermophoretic force in a vacuum cell. Our analysis is based on footage taken by orthogonal cameras that are able to capture the three dimensional trajectories of the particles. In contrast to spherical particles, which remain stationary at the center of the cell, here we report new qualitative features of the motion of particles with non-spherical geometry. Singly levitated particles exhibit steady spinning around their body axis and rotation around the symmetry axis of the cell. When two levitated particles approach each other, repulsive or attractive interactions between the particles are observed. Our levitation system offers a wonderful platform to study interaction between particles in a microgravity environment.

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.

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.

Work and Inter-subjectivity: a theoretical reflection on its dialectics in the field of health and nursing.

PubMed

Carvalho, Brígida Gimenez; Peduzzi, Marina; Mandú, Edir Nei Teixeira; Ayres, José Ricardo de Carvalho Mesquita

2012-01-01

This theoretical reflection intends to show the inter-subjective relationship that takes place in health and nursing practices under the following theoretical perspectives: Institutional Analysis, Psychodynamics of Labor and the Theory of Communicative Action, with an emphasis on the latter. Linking these concepts to the Marxist approach to work in the field of health emerges from recognizing the need for its continuous reconstruction-in this case, with a view to understand the interaction and communication intrinsic to work in action. The theory of Communicative Action seeks to consider these two inextricable dimensions: work as productive action and as interaction. The first corresponds to instrumental action based on technical rules with a production-guided rationale. The second refers to the interaction that takes place as communicative action and seeks understanding among subjects. We assume that adopting this theoretical perspective in the analysis of health and nursing practices opens new possibilities for clarifying its social and historical process and inter-subjective connections.

Crystal structures of N-(3-fluoro-benzo-yl)benzene-sulfonamide and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide.

PubMed

Suchetan, P A; Naveen, S; Lokanath, N K; Lakshmikantha, H N; Srivishnu, K S; Supriya, G M

2016-04-01

The crystal structures of two N-(aryl-sulfon-yl)aryl-amides, namely N-(3-fluoro-benzo-yl)benzene-sulfonamide, C13H10FNO3S, (I), and N-(3-fluoro-benzo-yl)-4-methyl-benzene-sulfonamide, C14H12FNO3S, (II), are described and compared with related structures. The dihedral angle between the benzene rings is 82.73 (10)° in (I) compared to 72.60 (12)° in (II). In the crystal of (I), the mol-ecules are linked by C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional grid-like architecture, while C-H⋯O inter-actions lead to one-dimensional ribbons in (II). The crystals of both (I) and (II) feature strong but non-structure-directing N-H⋯O hydrogen bonds with R 2 (2)(8) ring motifs. The structure of (I) also features π-π stacking inter-actions.

N-(1-Allyl-1H-indazol-5-yl)-4-meth-oxy-benzene-sulfonamide hemihydrate.

PubMed

Chicha, Hakima; Rakib, El Mostapha; Geffken, Detlef; Saadi, Mohamed; El Ammari, Lahcen

2013-01-01

In the title compound, C17H17N3O3 (.)0.5H2O, the indazole system makes a dihedral angle of 46.19 (8)° with the plane through the benzene ring and is nearly perpendicular to the allyl group, as indicated by the dihedral angle of 81.2 (3)°. In the crystal, the water mol-ecule, disordered over two sites related by an inversion center, forms O-H⋯N bridges between indazole N atoms of two sulfonamide mol-ecules. It is also connected via N-H⋯O inter-action to the third sulfonamide mol-ecule; however, due to the water mol-ecule disorder, only every second mol-ecule of sulfonamide participates in this inter-action. This missing inter-action results in a slight disorder of the sulfonamide S,O and N atoms which are split over two sites with half occupancy. With the help of C-H⋯O hydrogen bonds, the mol-ecules are further connected into a three-dimensional network.

Teaching Ion-Ion, Ion-Dipole, and Dipole-Dipole Interactions

ERIC Educational Resources Information Center

Yoder, Claude H.

1977-01-01

Discusses how electrostatic interactions can be taught quantitatively through Coulomb's Law at a variety of points in a chemistry curriculum. Each type of interaction is shown at both the intramolecular and the inter-"molecular" levels. (MR)

Nonlocal birth-death competitive dynamics with volume exclusion

NASA Astrophysics Data System (ADS)

Khalil, Nagi; López, Cristóbal; Hernández-García, Emilio

2017-06-01

A stochastic birth-death competition model for particles with excluded volume is proposed. The particles move, reproduce, and die on a regular lattice. While the death rate is constant, the birth rate is spatially nonlocal and implements inter-particle competition by a dependence on the number of particles within a finite distance. The finite volume of particles is accounted for by fixing an upper value to the number of particles that can occupy a lattice node, compromising births and movements. We derive closed macroscopic equations for the density of particles and spatial correlation at two adjacent sites. Under different conditions, the description is further reduced to a single equation for the particle density that contains three terms: diffusion, a linear death, and a highly nonlinear and nonlocal birth term. Steady-state homogeneous solutions, their stability which reveals spatial pattern formation, and the dynamics of time-dependent homogeneous solutions are discussed and compared, in the one-dimensional case, with numerical simulations of the particle system.

2,2'-[2,4-Bis(naphthalen-1-yl)cyclo-butane-1,3-di-yl]bis-(1-methyl-pyridinium) diiodide: thermal-induced [2 + 2] cyclo-addition reaction of a heterostilbene.

PubMed

Chantrapromma, Suchada; Chanawanno, Kullapa; Boonnak, Nawong; Fun, Hoong-Kun

2012-01-01

The asymmetric unit of the title compound, C(36)H(32)N(2) (2+)·2I(-), consists of one half-mol-ecule of the cation and one I(-) anion. The cation is located on an inversion centre. The dihedral angle between the pyridinium ring and the naphthalene ring system in the asymmetric unit is 19.01 (14)°. In the crystal, the cations and the anions are linked by C-H⋯I inter-actions into a layer parallel to the bc plane. Intra- and inter-molecular π-π inter-actions with centroid-centroid distances of 3.533 (2)-3.807 (2) Å are also observed.

Crystal structure of [(2R,3R,4S)-3,4-bis(acet-yloxy)-5-iodo-3,4-di-hydro-2H-pyran-2-yl]methyl acetate.

PubMed

Zukerman-Schpector, Julio; Caracelli, Ignez; Stefani, Hélio A; Shamim, Anwar; Tiekink, Edward R T

2015-01-01

In the title compound, C12H15IO7, the 3,4-di-hydro-2H-pyran ring is in a distorted half-boat conformation with the atom bearing the acet-yloxy group adjacent to the C atom bearing the methyl-acetate group lying 0.633 (6) Å above the plane of the remaining ring atoms (r.m.s. deviation = 0.0907 Å). In the crystal, mol-ecules are linked into a supra-molecular chain along the a axis through two C-H⋯O inter-actions to the same acceptor carbonyl O atom; these chains pack with no specific inter-molecular inter-actions between them.

Potassium (2,2'-bipyridine-κN,N')bis-(carbonato-κO,O')cobaltate(III) dihydrate.

PubMed

Wang, Jian-Fei; Lin, Jian-Li

2010-09-30

In the title compound, K[Co(CO(3))(2)(C(10)H(8)N(2))]·2H(2)O, the Co(III) atom is coordinated by two bipyridine N atoms and four O atoms from two bidentate chelating carbonate anions, and thus adopts a distorted octa-hedral N(2)O(4) environment. The [Co(bipy)(CO(3))(2)](-) (bipy is 2,2'-bipyridine) -units are stacked along [100] via π-π stacking inter-actions, with inter-planar distances between the bipyridine rings of 3.36 (4) and 3.44 (6) Å, forming chains. Classical O-H⋯O hydrogen-bonding inter-actions link the chains, forming channels along (100) in which the K(+) ions reside and leading to a three-dimensional supra-molecular architecture.

Coupled electrostatic and material surface stresses yield anomalous particle interactions and deformation

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

Kemp, B. A., E-mail: bkemp@astate.edu; Nikolayev, I.; Sheppard, C. J.

2016-04-14

Like-charges repel, and opposite charges attract. This fundamental tenet is a result of Coulomb's law. However, the electrostatic interactions between dielectric particles remain topical due to observations of like-charged particle attraction and the self-assembly of colloidal systems. Here, we show, using both an approximate description and an exact solution of Maxwell's equations, that nonlinear charged particle forces result even for linear material systems and can be responsible for anomalous electrostatic interactions such as like-charged particle attraction and oppositely charged particle repulsion. Furthermore, these electrostatic interactions and the deformation of such particles have fundamental implications for our understanding of macroscopic electrodynamics.

Heterogeneity of interactions of microbial communities in regions of Taihu Lake with different nutrient loadings: A network analysis.

PubMed

Cao, Xinyi; Zhao, Dayong; Xu, Huimin; Huang, Rui; Zeng, Jin; Yu, Zhongbo

2018-06-11

To investigate the differences in the interactions of microbial communities in two regions in Taihu Lake with different nutrient loadings [Meiliang Bay (MLB) and Xukou Bay (XKB)], water samples were collected and both intra- and inter-kingdom microbial community interactions were examined with network analysis. It is demonstrated that all of the bacterioplankton, microeukaryotes and inter-kingdom communities networks in Taihu Lake were non-random. For the networks of bacterioplankton and inter-kingdom community in XKB, higher clustering coefficient and average degree but lower average path length indexes were observed, indicating the nodes in XKB were more clustered and closely connected with plenty edges than those of MLB. The bacterioplankton and inter-kingdom networks were considerably larger and more complex with more module hubs and connectors in XKB compared with those of MLB, whereas the microeukaryotes networks were comparable and had no module hubs or connectors in the two lake zones. The phyla of Acidobacteria, Cyanobacteria and Planctomycetes maintained greater cooperation with other phyla in XKB, rather than competition. The relationships between microbial communities and environmental factors in MLB were weaker. Compared with the microbial community networks of XKB, less modules in networks of MLB were significantly correlated with total phosphorous and total nitrogen.

Spatial interpolation techniques using R

EPA Science Inventory

Interpolation techniques are used to predict the cell values of a raster based on sample data points. For example, interpolation can be used to predict the distribution of sediment particle size throughout an estuary based on discrete sediment samples. We demonstrate some inter...

THE CONTRIBUTION OF PARTICLE RESUSPENSION TO INDOOR AND PERSONAL AIR CONCENTRATIONS

EPA Science Inventory

An association has been demonstrated between ambient PM concentrations and human morbidity/mortality. However, little is known regarding the most important sources of PM exposure, inter- and intrapersonal variability in exposure, and the relationship between personal exposure a...

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.

Simulation of particle diversity and mixing state over Greater Paris: a model-measurement inter-comparison.

PubMed

Zhu, Shupeng; Sartelet, Karine N; Healy, Robert M; Wenger, John C

2016-07-18

Air quality models are used to simulate and forecast pollutant concentrations, from continental scales to regional and urban scales. These models usually assume that particles are internally mixed, i.e. particles of the same size have the same chemical composition, which may vary in space and time. Although this assumption may be realistic for continental-scale simulations, where particles originating from different sources have undergone sufficient mixing to achieve a common chemical composition for a given model grid cell and time, it may not be valid for urban-scale simulations, where particles from different sources interact on shorter time scales. To investigate the role of the mixing state assumption on the formation of particles, a size-composition resolved aerosol model (SCRAM) was developed and coupled to the Polyphemus air quality platform. Two simulations, one with the internal mixing hypothesis and another with the external mixing hypothesis, have been carried out for the period 15 January to 11 February 2010, when the MEGAPOLI winter field measurement campaign took place in Paris. The simulated bulk concentrations of chemical species and the concentrations of individual particle classes are compared with the observations of Healy et al. (Atmos. Chem. Phys., 2013, 13, 9479-9496) for the same period. The single particle diversity and the mixing-state index are computed based on the approach developed by Riemer et al. (Atmos. Chem. Phys., 2013, 13, 11423-11439), and they are compared to the measurement-based analyses of Healy et al. (Atmos. Chem. Phys., 2014, 14, 6289-6299). The average value of the single particle diversity, which represents the average number of species within each particle, is consistent between simulation and measurement (2.91 and 2.79 respectively). Furthermore, the average value of the mixing-state index is also well represented in the simulation (69% against 59% from the measurements). The spatial distribution of the mixing-state index shows that the particles are not mixed in urban areas, while they are well mixed in rural areas. This indicates that the assumption of internal mixing traditionally used in transport chemistry models is well suited to rural areas, but this assumption is less realistic for urban areas close to emission sources.

Intra- and inter-species interactions within biofilms of important foodborne bacterial pathogens

PubMed Central

Giaouris, Efstathios; Heir, Even; Desvaux, Mickaël; Hébraud, Michel; Møretrø, Trond; Langsrud, Solveig; Doulgeraki, Agapi; Nychas, George-John; Kačániová, Miroslava; Czaczyk, Katarzyna; Ölmez, Hülya; Simões, Manuel

2015-01-01

A community-based sessile life style is the normal mode of growth and survival for many bacterial species. Under such conditions, cell-to-cell interactions are inevitable and ultimately lead to the establishment of dense, complex and highly structured biofilm populations encapsulated in a self-produced extracellular matrix and capable of coordinated and collective behavior. Remarkably, in food processing environments, a variety of different bacteria may attach to surfaces, survive, grow, and form biofilms. Salmonella enterica, Listeria monocytogenes, Escherichia coli, and Staphylococcus aureus are important bacterial pathogens commonly implicated in outbreaks of foodborne diseases, while all are known to be able to create biofilms on both abiotic and biotic surfaces. Particularly challenging is the attempt to understand the complexity of inter-bacterial interactions that can be encountered in such unwanted consortia, such as competitive and cooperative ones, together with their impact on the final outcome of these communities (e.g., maturation, physiology, antimicrobial resistance, virulence, dispersal). In this review, up-to-date data on both the intra- and inter-species interactions encountered in biofilms of these pathogens are presented. A better understanding of these interactions, both at molecular and biophysical levels, could lead to novel intervention strategies for controlling pathogenic biofilm formation in food processing environments and thus improve food safety. PMID:26347727

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.

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.

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.

Topological Interaction by Entangled DNA Loops

NASA Astrophysics Data System (ADS)

Feng, Lang; Sha, Ruojie; Seeman, Nadrian. C.; Chaikin, Paul. M.

2012-11-01

We have discovered a new type of interaction between micro- or nanoscale particles that results from the entanglement of strands attached to their surfaces. Self-complementary DNA single strands on a particle can hybridize to form loops. A similar proximal particle can have its loops catenate with those of the first. Unlike conventional thermodynamic interparticle interactions, the catenation interaction is strongly history and protocol dependent, allowing for nonequilibrium particle assembly. The interactions can be controlled by an interesting combination of forces, temperature, light sensitive cross-linking and enzymatic unwinding of the topological links. This novel topological interaction may lead to new materials and phenomena such as particles strung on necklaces, confined motions on designed contours and surfaces, and colloidal Olympic gels.

Fine-Granularity Functional Interaction Signatures for Characterization of Brain Conditions

PubMed Central

Hu, Xintao; Zhu, Dajiang; Lv, Peili; Li, Kaiming; Han, Junwei; Wang, Lihong; Shen, Dinggang; Guo, Lei; Liu, Tianming

2014-01-01

In the human brain, functional activity occurs at multiple spatial scales. Current studies on functional brain networks and their alterations in brain diseases via resting-state functional magnetic resonance imaging (rs-fMRI) are generally either at local scale (regionally confined analysis and inter-regional functional connectivity analysis) or at global scale (graph theoretic analysis). In contrast, inferring functional interaction at fine-granularity sub-network scale has not been adequately explored yet. Here our hypothesis is that functional interaction measured at fine-granularity subnetwork scale can provide new insight into the neural mechanisms of neurological and psychological conditions, thus offering complementary information for healthy and diseased population classification. In this paper, we derived fine-granularity functional interaction (FGFI) signatures in subjects with Mild Cognitive Impairment (MCI) and Schizophrenia by diffusion tensor imaging (DTI) and rsfMRI, and used patient-control classification experiments to evaluate the distinctiveness of the derived FGFI features. Our experimental results have shown that the FGFI features alone can achieve comparable classification performance compared with the commonly used inter-regional connectivity features. However, the classification performance can be substantially improved when FGFI features and inter-regional connectivity features are integrated, suggesting the complementary information achieved from the FGFI signatures. PMID:23319242

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.

Dielectrophoretic particle-particle interaction under AC electrohydrodynamic flow conditions.

PubMed

Lee, Doh-Hyoung; Yu, Chengjie; Papazoglou, Elisabeth; Farouk, Bakhtier; Noh, Hongseok M

2011-09-01

We used the Maxwell stress tensor method to understand dielectrophoretic particle-particle interactions and applied the results to the interpretation of particle behaviors under alternating current (AC) electrohydrodynamic conditions such as AC electroosmosis (ACEO) and electrothermal flow (ETF). Distinct particle behaviors were observed under ACEO and ETF. Diverse particle-particle interactions observed in experiments such as particle clustering, particles keeping a certain distance from each other, chain and disc formation and their rotation, are explained based on the numerical simulation data. The improved understanding of particle behaviors in AC electrohydrodynamic flows presented here will enable researchers to design better particle manipulation strategies for lab-on-a-chip applications. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The use of a quartz crystal microbalance as an analytical tool to monitor particle/surface and particle/particle interactions under dry ambient and pressurized conditions: a study using common inhaler components.

PubMed

Turner, N W; Bloxham, M; Piletsky, S A; Whitcombe, M J; Chianella, I

2016-12-19

Metered dose inhalers (MDI) and multidose powder inhalers (MPDI) are commonly used for the treatment of chronic obstructive pulmonary diseases and asthma. Currently, analytical tools to monitor particle/particle and particle/surface interaction within MDI and MPDI at the macro-scale do not exist. A simple tool capable of measuring such interactions would ultimately enable quality control of MDI and MDPI, producing remarkable benefits for the pharmaceutical industry and the users of inhalers. In this paper, we have investigated whether a quartz crystal microbalance (QCM) could become such a tool. A QCM was used to measure particle/particle and particle/surface interactions on the macroscale, by additions of small amounts of MDPI components, in the powder form into a gas stream. The subsequent interactions with materials on the surface of the QCM sensor were analyzed. Following this, the sensor was used to measure fluticasone propionate, a typical MDI active ingredient, in a pressurized gas system to assess its interactions with different surfaces under conditions mimicking the manufacturing process. In both types of experiments the QCM was capable of discriminating interactions of different components and surfaces. The results have demonstrated that the QCM is a suitable platform for monitoring macro-scale interactions and could possibly become a tool for quality control of inhalers.

Excitonic energy transfer in light-harvesting complexes in purple bacteria

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

Ye Jun; Sun Kewei; Zhao Yang

Two distinct approaches, the Frenkel-Dirac time-dependent variation and the Haken-Strobl model, are adopted to study energy transfer dynamics in single-ring and double-ring light-harvesting (LH) systems in purple bacteria. It is found that the inclusion of long-range dipolar interactions in the two methods results in significant increase in intra- or inter-ring exciton transfer efficiency. The dependence of exciton transfer efficiency on trapping positions on single rings of LH2 (B850) and LH1 is similar to that in toy models with nearest-neighbor coupling only. However, owing to the symmetry breaking caused by the dimerization of BChls and dipolar couplings, such dependence has beenmore » largely suppressed. In the studies of coupled-ring systems, both methods reveal an interesting role of dipolar interactions in increasing energy transfer efficiency by introducing multiple intra/inter-ring transfer paths. Importantly, the time scale (4 ps) of inter-ring exciton transfer obtained from polaron dynamics is in good agreement with previous studies. In a double-ring LH2 system, non-nearest neighbor interactions can induce symmetry breaking, which leads to global and local minima of the average trapping time in the presence of a non-zero dephasing rate, suggesting that environment dephasing helps preserve quantum coherent energy transfer when the perfect circular symmetry in the hypothetic system is broken. This study reveals that dipolar coupling between chromophores may play an important role in the high energy transfer efficiency in the LH systems of purple bacteria and many other natural photosynthetic systems.« less

Analysis of Particle Transport in DIII-D H-mode Plasma with a Generalized Pinch-Diffusion Model

NASA Astrophysics Data System (ADS)

Owen, L. W.; Stacey, W. M.; Groebner, R. J.; Callen, J. D.; Bonnin, X.

2009-11-01

Interpretative analyses of particle transport in the pedestal region of H-mode plasmas typically yield diffusion coefficients that are very small (<0.1 m^2/s) in the steep gradient region when a purely diffusive particle flux is fitted to the experimental density gradients. Previous evaluation of the particle and momentum balance equations using the experimental data indicated that the pedestal profiles are consistent with transport described by a pinch-diffusion particle flux relation [1]. This type of model is used to calculate the diffusion coefficient and pinch velocity in the core for an inter-ELM H-mode plasma in the DIII-D discharge 98889. Full-plasma SOPLS simulations using neutral beam particle and energy sources from ONETWO calculations and the model transport coefficients show good agreement with the measured density pedestal profile. 6pt [1] W.M. Stacey and R.J. Groebner, Phys. Plasmas 12, 042504 (2005).

The Particle Adventure | Glossary

Science.gov Websites

Interaction Electron Electroweak Interaction Event Fermilab Fermion Fixed-target Experiment Flavor Fundamental Interaction Fundamental Particle Generation GeV Gluon Gravitational Interaction Graviton Hadron Interaction

A description of rotations for DEM models of particle systems

NASA Astrophysics Data System (ADS)

Campello, Eduardo M. B.

2015-06-01

In this work, we show how a vector parameterization of rotations can be adopted to describe the rotational motion of particles within the framework of the discrete element method (DEM). It is based on the use of a special rotation vector, called Rodrigues rotation vector, and accounts for finite rotations in a fully exact manner. The use of fictitious entities such as quaternions or complicated structures such as Euler angles is thereby circumvented. As an additional advantage, stick-slip friction models with inter-particle rolling motion are made possible in a consistent and elegant way. A few examples are provided to illustrate the applicability of the scheme. We believe that simple vector descriptions of rotations are very useful for DEM models of particle systems.

1-(Diphenyl-phosphinothio-yl)-2-[(4-methyl-phen-yl)meth-oxy-meth-yl]ferrocene.

PubMed

Daran, Jean-Claude; Audin, Catherine; Deydier, Eric; Manoury, Eric; Poli, Rinaldo

2010-10-20

Following our continuing inter-est in developing new chiral phosphine-containing ferrocenyl ligands, we synthesized the title compound, [Fe(C(5)H(5))(C(26)H(24)OPS)], in which there are two nearly identical mol-ecules in the asymmetric unit. The conformation of the cyclo-penta-dienyl (Cp) rings in each ferrocenyl group are inter-mediate between eclipsed and staggered, with twist angles of 16.6 (2) and 8.9 (2)°. The protecting S atom is located endo with respect to the substituted Cp ring. In the crystal, mol-ecules are connected through inter-molecular C-H⋯π inter-actions.

Interaction of Multiple Particles with a Solidification Front: From Compacted Particle Layer to Particle Trapping.

PubMed

Saint-Michel, Brice; Georgelin, Marc; Deville, Sylvain; Pocheau, Alain

2017-06-13

The interaction of solidification fronts with objects such as particles, droplets, cells, or bubbles is a phenomenon with many natural and technological occurrences. For an object facing the front, it may yield various fates, from trapping to rejection, with large implications regarding the solidification pattern. However, whereas most situations involve multiple particles interacting with each other and the front, attention has focused almost exclusively on the interaction of a single, isolated object with the front. Here we address experimentally the interaction of multiple particles with a solidification front by performing solidification experiments of a monodisperse particle suspension in a Hele-Shaw cell with precise control of growth conditions and real-time visualization. We evidence the growth of a particle layer ahead of the front at a close-packing volume fraction, and we document its steady-state value at various solidification velocities. We then extend single-particle models to the situation of multiple particles by taking into account the additional force induced on an entering particle by viscous friction in the compacted particle layer. By a force balance model this provides an indirect measure of the repelling mean thermomolecular pressure over a particle entering the front. The presence of multiple particles is found to increase it following a reduction of the thickness of the thin liquid film that separates particles and front. We anticipate the findings reported here to provide a relevant basis to understand many complex solidification situations in geophysics, engineering, biology, or food engineering, where multiple objects interact with the front and control the resulting solidification patterns.

On the group theoretical approach to the Quantum Theory of an interacting spin-0 particle

NASA Astrophysics Data System (ADS)

Nisticò, Giuseppe

2016-01-01

We point out a difficulty that arises in extending the group theoretical approach that deductively establish the quantum theory of a free particle to the case of an interacting particle. Then we develop an approach which overcomes this difficulty. The result is a theory of an interacting particle where the standard theory is characterized by specific covariance properties related to the interaction.

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

Physical and hydraulic properties of baked ceramic aggregates used for plant growth medium

NASA Technical Reports Server (NTRS)

Steinberg, Susan L.; Kluitenberg, Gerard J.; Jones, Scott B.; Daidzic, Nihad E.; Reddi, Lakshmi N.; Xiao, Ming; Tuller, Markus; Newman, Rebecca M.; Or, Dani; Alexander, J. Iwan. D.

2005-01-01

Baked ceramic aggregates (fritted clay, arcillite) have been used for plant research both on the ground and in microgravity. Optimal control of water and air within the root zone in any gravity environment depends on physical and hydraulic properties of the aggregate, which were evaluated for 0.25-1-mm and 1-2-mm particle size distributions. The maximum bulk densities obtained by any packing technique were 0.68 and 0.64 g cm-3 for 0.25-1-mm and 1-2-mm particles, respectively. Wettable porosity obtained by infiltration with water was approximately 65%, substantially lower than total porosity of approximately 74%. Aggregate of both particle sizes exhibited a bimodal pore size distribution consisting of inter-aggregate macropores and intra-aggregate micropores, with the transition from macro- to microporosity beginning at volumetric water content of approximately 36% to 39%. For inter-aggregate water contents that support optimal plant growth there is 45% change in water content that occurs over a relatively small matric suction range of 0-20 cm H2O for 0.25-1-mm and 0 to -10 cm H2O for 1-2-mm aggregate. Hysteresis is substantial between draining and wetting aggregate, which results in as much as a approximately 10% to 20% difference in volumetric water content for a given matric potential. Hydraulic conductivity was approximately an order of magnitude higher for 1-2-mm than for 0.25-1-mm aggregate until significant drainage of the inter-aggregate pore space occurred. The large change in water content for a relatively small change in matric potential suggests that significant differences in water retention may be observed in microgravity as compared to earth.

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.

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.

SERS active colloidal nanoparticles for the detection of small blood biomarkers using aptamers

NASA Astrophysics Data System (ADS)

Marks, Haley; Mabbott, Samuel; Jackson, George W.; Graham, Duncan; Cote, Gerard L.

2015-03-01

Functionalized colloidal nanoparticles for SERS serve as a promising multifunctional assay component for blood biomarker detection. Proper design of these nanoprobes through conjugation to spectral tags, protective polymers, and sensing ligands can provide experimental control over the sensitivity, range, reproducibility, particle stability, and integration with biorecognition assays. Additionally, the optical properties and degree of electromagnetic SERS signal enhancement can be altered and monitored through tuning the nanoparticle shape, size, material and the colloid's local surface plasmon resonance (LSPR). Aptamers, synthetic affinity ligands derived from nucleic acids, provide a number of advantages for biorecognition of small molecules and toxins with low immunogenicity. DNA aptamers are simpler and more economical to produce at large scale, are capable of greater specificity and affinity than antibodies, are easily tailored to specific functional groups, can be used to tune inter-particle distance and shift the LSPR, and their intrinsic negative charge can be utilized for additional particle stability.1,2 Herein, a "turn-off" competitive binding assay platform involving two different plasmonic nanoparticles for the detection of the toxin bisphenol A (BPA) using SERS is presented. A derivative of the toxin is immobilized onto a silver coated magnetic nanoparticle (Ag@MNP), and a second solid silver nanoparticle (AgNP) is functionalized with the BPA aptamer and a Raman reporter molecule (RRM). The capture (Ag@MNP) and probe (AgNP) particles are mixed and the aptamer binding interaction draws the nanoparticles closer together, forming an assembly that results in an increased SERS signal intensity. This aptamer mediated assembly of the two nanoparticles results in a 100x enhancement of the SERS signal intensity from the RRM. These pre-bound aptamer/nanoparticle conjugates were then exposed to BPA in free solution and the competitive binding event was monitored by the decrease in SERS intensity.

Crystal structure of 10-ethyl-7-(9-ethyl-9H-carbazol-3-yl)-10H-pheno-thia-zine-3-carbaldehyde.

PubMed

Mahalakshmi, Vairavan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Bargavi, Srinivasan; Lakshmi, Srinivasakannan

2017-05-01

The title compound, C 29 H 24 N 2 OS, contains a pheno-thia-zine moiety linked to a planar carbazole unit (r.m.s. deviation = 0.029 Å) by a C-C single bond. The pheno-thia-zine moiety possesses a typical non-planar butterfly structure with a fold angle of 27.36 (9)° between the two benzene rings. The dihedral angle between the mean planes of the carbazole and pheno-thia-zine units is 27.28 (5)°. In the crystal, mol-ecules stack in pairs along the c -axis direction, linked by offset π-π inter-actions [inter-centroid distance = 3.797 (1) Å]. There are C-H⋯π inter-actions present linking these dimers to form a three-dimensional structure.

Crystal structure of 4-meth-oxy-N-(piperidine-1-carbono-thio-yl)benzamide.

PubMed

Suhud, Khairi; Hasbullah, Siti Aishah; Ahmad, Musa; Heng, Lee Yook; Kassim, Mohammad B

2017-10-01

In the title compound, C 14 H 18 N 2 O 2 S, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-meth-oxy-benzoyl ring, with a dihedral angle of 63.0 (3)°. The central N-C(=S)-N(H)-C(=O) bridge is twisted with an N-C-N-C torsion angle of 74.8 (6)°. In the crystal, mol-ecules are linked by N-H⋯O and C-H⋯O hydrogen bonds, forming chains along the c -axis direction. Adjacent chains are linked by C-H⋯π inter-actions, forming layers parallel to the ac plane. The layers are linked by offset π-π inter-actions [inter-centroid distance = 3.927 (3) Å], forming a supra-molecular three-dimensional structure.

On improving the algorithm efficiency in the particle-particle force calculations

NASA Astrophysics Data System (ADS)

Kozynchenko, Alexander I.; Kozynchenko, Sergey A.

2016-09-01

The problem of calculating inter-particle forces in the particle-particle (PP) simulation models takes an important place in scientific computing. Such simulation models are used in diverse scientific applications arising in astrophysics, plasma physics, particle accelerators, etc., where the long-range forces are considered. The inverse-square laws such as Coulomb's law of electrostatic forces and Newton's law of universal gravitation are the examples of laws pertaining to the long-range forces. The standard naïve PP method outlined, for example, by Hockney and Eastwood [1] is straightforward, processing all pairs of particles in a double nested loop. The PP algorithm provides the best accuracy of all possible methods, but its computational complexity is O (Np2), where Np is a total number of particles involved. Too low efficiency of the PP algorithm seems to be the challenging issue in some cases where the high accuracy is required. An example can be taken from the charged particle beam dynamics where, under computing the own space charge of the beam, so-called macro-particles are used (see e.g., Humphries Jr. [2], Kozynchenko and Svistunov [3]).

CFD-DEM Analysis of Particle Attrition in a Jet in a Fluidised Bed

NASA Astrophysics Data System (ADS)

Fulchini, F.; Nan, W.; Ghadiri, M.; Yazdan Panah, M.; Bertholin, S.; Amblard, B.; Cloupet, A.; Gauthier, T.

2017-06-01

In fluidised bed processes, the solids are in vigorous motion and thus inevitably subjected to mechanical stresses due to inter-particle and particle-wall impacts. These stresses lead to a gradual degradation of the particles by surface wear, abrasion and body fragmentation commonly termed attrition. One significant contribution of attrition comes from the air jets of the fluidised bed distributor. Particles are entrained into the air jet, where they get accelerated and impacted onto the fluidised bed particles. The jet induced attrition only affects the part of the bed which is limited by the jet length, where the mode of attrition is largely collisional. The overall jet attrition rate is therefore the result of the combination of the single particle damage and the flux of particles entering into that region. The attrition behaviour of particles in the jet region is analysed by evaluating their propensity of breakage experimentally and by simulating an air-jet in a bed of particles by CFD-DEM. The frequency of collisions and impact velocities are estimated from which the attrition due to a single air-jet is predicted.

The electrostatic interaction between interfacial colloidal particles

NASA Astrophysics Data System (ADS)

Hurd, A. J.

1985-11-01

The electrostatic interaction between charged, colloidal particles trapped at an air-water interface is considered using linearised Poisson-Boltzmann results for point particles. In addition to the expected screened-Coulomb contribution, which decays exponentially, an algebraic dipole-dipole interaction occurs that may account for long-range interactions in interfacial colloidal systems.

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.

Phenol-photodegradation on ZrO2. Enhancement by semiconductors.

PubMed

Karunakaran, C; Dhanalakshmi, R; Gomathisankar, P

2012-06-15

On illumination with light of wavelength 365 nm phenol undergoes degradation on the surface of ZrO(2). The rate of degradation enhances linearly with the concentration of phenol and also the light intensity but decreases with increase of pH. The photonic efficiency of degradation is higher with illumination at 254 nm than with 365 nm. The diffuse reflectance spectral study suggests phenol-sensitized activation of ZrO(2) with 365 nm light. TiO(2), Fe(2)O(3), CuO, ZnO, ZnS, Nb(2)O(5) and CdO particles enhance the photodegradation on ZrO(2), indicating inter-particle charge-transfer. Determination of size of the particles under suspension, by light scattering technique, shows agglomeration of particles supporting the proposition of charge-transfer between particles. Copyright © 2012 Elsevier B.V. All rights reserved.

Onsite aerosol measurements for various engineered nanomaterials at industrial manufacturing plants

NASA Astrophysics Data System (ADS)

Ogura, I.; Sakurai, H.; Gamo, M.

2011-07-01

Evaluation of the health impact of and control over exposure to airborne engineered nanomaterials (ENMs) requires information, inter alia, the magnitude of environmental release during various industrial processes, as well as the size distribution and morphology of the airborne ENM particles. In this study, we performed onsite aerosol measurements for various ENMs at industrial manufacturing plants. The industrial processes investigated were the collection of SiC from synthesis reactors, synthesis and bagging of LiFePO4, and bagging of ZnO. Real-time aerosol monitoring using condensation particle counters, optical particle counters, and an electrical low-pressure impactor revealed frequent increases in the number concentrations of submicron- and micron-sized aerosol particles, but few increases in the number concentrations of nanoparticles. In the SEM observations, a large number of submicron- and micron-sized agglomerated ENM particles were observed.

Electrostatic interactions between diffuse soft multi-layered (bio)particles: beyond Debye-Hückel approximation and Deryagin formulation.

PubMed

Duval, Jérôme F L; Merlin, Jenny; Narayana, Puranam A L

2011-01-21

We report a steady-state theory for the evaluation of electrostatic interactions between identical or dissimilar spherical soft multi-layered (bio)particles, e.g. microgels or microorganisms. These generally consist of a rigid core surrounded by concentric ion-permeable layers that may differ in thickness, soft material density, chemical composition and degree of dissociation for the ionogenic groups. The formalism allows the account of diffuse interphases where distributions of ionogenic groups from one layer to the other are position-dependent. The model is valid for any number of ion-permeable layers around the core of the interacting soft particles and covers all limiting situations in terms of nature of interacting particles, i.e. homo- and hetero-interactions between hard, soft or entirely porous colloids. The theory is based on a rigorous numerical solution of the non-linearized Poisson-Boltzmann equation including radial and angular distortions of the electric field distribution within and outside the interacting soft particles in approach. The Gibbs energy of electrostatic interaction is obtained from a general expression derived following the method by Verwey and Overbeek based on appropriate electric double layer charging mechanisms. Original analytical solutions are provided here for cases where interaction takes place between soft multi-layered particles whose size and charge density are in line with Deryagin treatment and Debye-Hückel approximation. These situations include interactions between hard and soft particles, hard plate and soft particle or soft plate and soft particle. The flexibility of the formalism is highlighted by the discussion of few situations which clearly illustrate that electrostatic interaction between multi-layered particles may be partly or predominantly governed by potential distribution within the most internal layers. A major consequence is that both amplitude and sign of Gibbs electrostatic interaction energy may dramatically change depending on the interplay between characteristic Debye length, thickness of ion-permeable layers and their respective protolytic features (e.g. location, magnitude and sign of charge density). This formalism extends a recent model by Ohshima which is strictly limited to interaction between soft mono-shell particles within Deryagin and Debye-Hückel approximations under conditions where ionizable sites are completely dissociated.

Parametric instabilities in resonantly-driven Bose–Einstein condensates

NASA Astrophysics Data System (ADS)

Lellouch, S.; Goldman, N.

2018-04-01

Shaking optical lattices in a resonant manner offers an efficient and versatile method to devise artificial gauge fields and topological band structures for ultracold atomic gases. This was recently demonstrated through the experimental realization of the Harper–Hofstadter model, which combined optical superlattices and resonant time-modulations. Adding inter-particle interactions to these engineered band systems is expected to lead to strongly-correlated states with topological features, such as fractional Chern insulators. However, the interplay between interactions and external time-periodic drives typically triggers violent instabilities and uncontrollable heating, hence potentially ruling out the possibility of accessing such intriguing states of matter in experiments. In this work, we study the early-stage parametric instabilities that occur in systems of resonantly-driven Bose–Einstein condensates in optical lattices. We apply and extend an approach based on Bogoliubov theory (Lellouch et al 2017 Phys. Rev. X 7 021015) to a variety of resonantly-driven band models, from a simple shaken Wannier–Stark ladder to the more intriguing driven-induced Harper–Hofstadter model. In particular, we provide ab initio numerical and analytical predictions for the stability properties of these topical models. This work sheds light on general features that could guide current experiments to stable regimes of operation.

A Laboratory Study of the Charging/Discharging Mechanisms of a Dust Particle Exposed to an Electron Beam

NASA Technical Reports Server (NTRS)

Venturini, C. C.; Spann, J. F.; Comfort, R. H.

1999-01-01

The interaction of micron sized particles or "dust particles" with different space and planetary environments has become an important area of research. One particular area of interest is how dust particles interact with plasmas. Studies have shown that charged dust particles immersed in plasmas can alter plasma characteristics, while ions and electrons in plasmas can affect a particle's potential and thereby, its interaction with other particles. The basis for understanding these phenomena is the charging mechanisms of the dust particle, specifically, how the particle's charge and characteristics are affected when exposed to ions and electrons. At NASA Marshall Space Flight Center, a laboratory experiment has been developed to study the interaction of dust particles with electrons. Using a unique laboratory technique known as electrodynamic suspension, a single charged particle is suspended in a modified quadrupole trap. Once suspended, the particle is then exposed to an electron beam to study the charging/discharging mechanisms due to collisions of energetic electrons. The change in the particle's charge, approximations of the charging/discharging currents, and the charging/discharging yield are calculated.

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.

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.…

Dynamic cross correlation studies of wave particle interactions in ULF phenomena

NASA Technical Reports Server (NTRS)

Mcpherron, R. L.

1979-01-01

Magnetic field observations made by satellites in the earth's magnetic field reveal a wide variety of ULF waves. These waves interact with the ambient particle populations in complex ways, causing modulation of the observed particle fluxes. This modulation is found to be a function of species, pitch angle, energy and time. The characteristics of this modulation provide information concerning the wave mode and interaction process. One important characteristic of wave-particle interactions is the phase of the particle flux modulation relative to the magnetic field variations. To display this phase as a function of time a dynamic cross spectrum program has been developed. The program produces contour maps in the frequency time plane of the cross correlation coefficient between any particle flux time series and the magnetic field vector. This program has been utilized in several studies of ULF wave-particle interactions at synchronous orbit.

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.

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.

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

Force measurements in stiff, 3D, opaque granular materials

NASA Astrophysics Data System (ADS)

Hurley, Ryan C.; Hall, Stephen A.; Andrade, José E.; Wright, Jonathan

2017-06-01

We present results from two experiments that provide the first quantification of inter-particle force networks in stiff, 3D, opaque granular materials. Force vectors between all grains were determined using a mathematical optimization technique that seeks to satisfy grain equilibrium and strain measurements. Quantities needed in the optimization - the spatial location of the inter-particle contact network and tensor grain strains - were found using 3D X-ray diffraction and X-ray computed tomography. The statistics of the force networks are consistent with those found in past simulations and 2D experiments. In particular, we observe an exponential decay of normal forces above the mean and a partition of forces into strong and weak networks. In the first experiment, involving 77 single-crystal quartz grains, we also report on the temporal correlation of the force network across two sequential load cycles. In the second experiment, involving 1099 single-crystal ruby grains, we characterize force network statistics at low levels of compression.

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.

Crystal structure of 1-(3-chloro-phen-yl)piperazin-1-ium picrate-picric acid (2/1).

PubMed

Kavitha, Channappa N; Jasinski, Jerry P; Kaur, Manpreet; Anderson, Brian J; Yathirajan, H S

2014-11-01

The title salt {systematic name: bis-[1-(3-chloro-phen-yl)piperazinium 2,4,6-tri-nitro-phenolate]-picric acid (2/1)}, 2C10H14ClN2 (+)·2C6H5N3O7 (-)·C6H6N3O7, crystallized with two independent 1-(3-chloro-phen-yl)piperazinium cations, two picrate anions and a picric acid mol-ecule in the asymmetric unit. The six-membered piperazine ring in each cation adopts a slightly distorted chair conformation and contains a protonated N atom. In the picric acid mol-ecule, the mean planes of the nitro groups in the ortho-, meta-, and para-positions are twisted from the benzene ring by 31.5 (3), 7.7 (1), and 3.8 (2)°, respectively. In the anions, the dihedral angles between the benzene ring and the ortho-, meta-, and para-nitro groups are 36.7 (1), 5.0 (6), 4.8 (2)°, and 34.4 (9), 15.3 (8), 4.5 (1)°, respectively. The nitro group in one anion is disordered and was modeled with two sites for one O atom with an occupancy ratio of 0.627 (7):0.373 (7). In the crystal, the picric acid mol-ecule inter-acts with the picrate anion through a trifurcated O-H⋯O four-centre hydrogen bond involving an intra-molecular O-H⋯O hydrogen bond and a weak C-H⋯O inter-action. Weak inter-molecular C-H⋯O inter-actions are responsible for the formation of cation-anion-cation trimers resulting in a chain along [010]. In addition, weak C-H⋯Cl and weak π-π inter-actions [centroid-centroid distances of 3.532 (3), 3.756 (4) and 3.705 (3) Å] are observed and contribute to the stability of the crystal packing.

Quantum fluids of light in acoustic lattices

NASA Astrophysics Data System (ADS)

Cerda-Méndez, E. A.; Krizhanovskii, D. N.; Skolnick, M. S.; Santos, P. V.

2018-01-01

In this topical review, we report on the recent advances on the manipulation of hybrid light-matter quasi-particles called exciton-polaritons and their quantum condensed phases by means of acoustic and static periodic potentials. Polaritons are a superposition of photons and excitons and form in optical microcavities with quantum wells embedded in it. They are low-mass bosons in the dilute limit and have strong inter-particle interactions inherited from the excitonic component. Their capability to form quantum-condensed phases at temperatures in the kelvin range and to behave like quantum fluids makes them very attractive for novel solid-state devices. Since their de Broglie wavelength is of the order of a few micrometers, polaritons can be manipulated using static or dynamic potentials with micrometer scales. We present here a summary of the techniques used to submit polaritons and their condensed phases to periodic potentials, with an emphasis in dynamic ones produced by surface acoustic waves. We discuss the interesting phenomena that occur under such a modulation, such as condensation in excited states of the Brillouin zone, fragmentation of a condensate, formation of self-localized wavepackets, and Dirac and massive polaritons in static hexagonal and kagome lattices, respectively. The different techniques explored open the way to implement polariton-based quantum simulators, nano-optomechanic resonators and polaritonic topological insulators.

Ion composition of coarse and fine particles in Iasi, north-eastern Romania: Implications for aerosols chemistry in the area

NASA Astrophysics Data System (ADS)

Arsene, Cecilia; Olariu, Romeo Iulian; Zarmpas, Pavlos; Kanakidou, Maria; Mihalopoulos, Nikolaos

2011-02-01

Atmospheric loadings of the aerosols coarse (particles of AED > 1.5 μm) and fine fractions (particles of AED < 1.5 μm) were determined in Iasi, north-eastern Romania from January 2007 to March 2008. Concentrations of water soluble ions (SO 42-, NO 3-, Cl -, C 2O 42-, NH 4+, K +, Na +, Ca 2+ and Mg 2+) were measured using ion chromatography (IC). In the coarse particles, calcium and carbonate are the main ionic constituents (˜65%), whereas in the fine particles SO 42-, NO 3-, Cl - and NH 4+ are the most abundant. Temperature and relative humidity (RH) associated with increased concentrations of specific ions might be the main factors controlling the aerosol chemistry at the investigated site. From August 2007 to March 2008 high RH (as high as 80% for about 82% of the investigated period) was prevailing in Iasi and the collected particles were expected to have deliquesced and form an internal mixture. We found that in fine particles ammonium nitrate (NH 4NO 3) is important especially under conditions of NH 4+/SO 42- ratio higher than 1.5 and high RH (RH above deliquescence of NH 4Cl, NH 4NO 3 and (NH 4) 2SO 4). At the investigated site large ammonium artifacts may occur due to inter-particle interaction especially under favorable meteorological conditions. A methodology for estimating the artifact free ambient ammonium concentration is proposed for filter pack sampling data of deliquesced particles. Nitrate and sulfate ions in coarse particles are probably formed via reactions of nitric and sulfuric acid with calcium carbonate and sodium chloride which during specific seasons are abundant at the investigated site. In the fine mode sulfate concentration maximized during summer (due to enhanced photochemistry) and winter (due to high concentration of SO 2 emitted from coal burning). Natural contributions, dust or sea-salt related, prevail mainly in the coarse particles. From May 2007 to August 2007, when air masses originated mainly from Black Sea, in the coarse particles an nss-Cl/Na ratio of 1.11 was measured. Elevated levels of chloride in fine particles have been attributed to waste burning in the proximity of the investigated site or to NaCl salt widely spread on roads during winter. Considering the importance of atmospheric aerosols, this study may constitute a reference point for Eastern Europe.

Consideration of the oxide particle-dislocation interaction in 9Cr-ODS steel

NASA Astrophysics Data System (ADS)

Ijiri, Yuta; Oono, N.; Ukai, S.; Yu, Hao; Ohtsuka, S.; Abe, Y.; Matsukawa, Y.

2017-05-01

The interaction between oxide particles and dislocations in a 9Cr-ODS ferritic steel is investigated by both static and in situ TEM observation under dynamic straining conditions and room temperature. The measured obstacle strength (?) of the oxide particles was no greater than 0.80 and the average was 0.63. The dislocation loops around some coarsened particles were also observed. The calculated obstacle strength by a stress formula of the Orowan interaction is nearly equaled to the average experimental value. Not only cross-slip system but also the Orowan interaction should be considered as the main interaction mechanism between oxide particles and dislocation in 9CrODS ferritic steel.

1-{(E)-[(2E)-3-(4-Meth-oxy-phen-yl)-1-phenyl-prop-2-en-1-yl-idene]amino}-3-phenyl-urea: crystal structure and Hirshfeld surface analysis.

PubMed

Tan, Ming Yueh; Crouse, Karen A; Ravoof, Thahira B S A; Jotani, Mukesh M; Tiekink, Edward R T

2017-11-01

The title compound, C 23 H 21 N 3 O 2 , is constructed about an almost planar disubstituted amino-urea residue (r.m.s. deviation = 0.0201 Å), which features an intra-molecular amine-N-H⋯N(imine) hydrogen bond. In the 'all- trans ' chain connecting this to the terminal meth-oxy-benzene residue, the conformation about each of the imine and ethyl-ene double bonds is E . In the crystal, amide-N-H⋯O(carbon-yl) hydrogen bonds connect centrosymmetrically related mol-ecules into dimeric aggregates, which also incorporate ethyl-ene-C-H⋯O(amide) inter-actions. The dimers are linked by amine-phenyl-C-H⋯π(imine-phen-yl) and meth-oxy-benzene-C-H⋯π(amine-phen-yl) inter-actions to generate a three-dimensional network. The importance of C-H⋯π inter-actions in the mol-ecular packing is reflected in the relatively high contributions made by C⋯H/H⋯C contacts to the Hirshfeld surface, i.e . 31.6%.

(E)-2-[(2,4,6-Tri-meth-oxy-benzyl-idene)amino]-phenol.

PubMed

Kaewmanee, Narissara; Chantrapromma, Suchada; Boonnak, Nawong; Quah, Ching Kheng; Fun, Hoong-Kun

2014-01-01

There are two independent mol-ecules in the asymmetric unit of the title compound, C16H17NO4, with similar conformations but some differences in their bond angles. Each mol-ecule adopts a trans configuration with respect to the methyl-idene C=N bond and is twisted with a dihedral angle between the two substituted benzene rings of 80.52 (7)° in one mol-ecule and 83.53 (7)° in the other. All meth-oxy groups are approximately coplanar with the attached benzene rings, with Cmeth-yl-O-C-C torsion angles ranging from -6.7 (2) to 5.07 (19)°. In the crystal, independent mol-ecules are linked together by O-H⋯N and O-H⋯O hydrogen bonds and a π-π inter-action [centroid-centroid distance of 3.6030 (9) Å], forming a dimer. The dimers are further linked by weak C-H⋯O inter-actions and another π-π inter-action [centroid-centroid distance of 3.9452 (9) Å] into layers lying parallel to the ab plane.

Charge interaction between particle-laden fluid interfaces.

PubMed

Xu, Hui; Kirkwood, John; Lask, Mauricio; Fuller, Gerald

2010-03-02

Experiments are described where two oil/water interfaces laden with charged particles move at close proximity relative to one another. The particles on one of the interfaces were observed to be attracted toward the point of closest approach, forming a denser particle monolayer, while the particles on the opposite interface were repelled away from this point, forming a particle depletion zone. Such particle attraction/repulsion was observed even if one of the interfaces was free of particles. This phenomenon can be explained by the electrostatic interaction between the two interfaces, which causes surface charges (charged particles and ions) to redistribute in order to satisfy surface electric equipotential at each interface. In a forced particle oscillation experiment, we demonstrated the control of charged particle positions on the interface by manipulating charge interaction between interfaces.

Towards Inter- and Intra- Cellular Protein Interaction Analysis: Applying the Betweenness Centrality Graph Measure for Node Importance

NASA Astrophysics Data System (ADS)

Barton, Alan J.; Haqqani, Arsalan S.

2011-11-01

Three public biological network data sets (KEGG, GeneRIF and Reactome) are collected and described. Two problems are investigated (inter- and intra- cellular interactions) via augmentation of the collected networks to the problem specific data. Results include an estimate of the importance of proteins for the interaction of inflammatory cells with the blood-brain barrier via the computation of Betweenness Centrality. Subsequently, the interactions may be validated from a number of differing perspectives; including comparison with (i) existing biological results, (ii) the literature, and (iii) new hypothesis driven biological experiments. Novel therapeutic and diagnostic targets for inhibiting inflammation at the blood-brain barrier in a number of brain diseases including Alzheimer's disease, stroke and multiple sclerosis are possible. In addition, this methodology may also be applicable towards investigating the breast cancer tumour microenvironment.

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.

Psychometrics and Validation of a Brief Rating Measure of Parent-Infant Interaction: Manchester Assessment of Caregiver-Infant Interaction

ERIC Educational Resources Information Center

Wan, Ming Wai; Brooks, Ami; Green, Jonathan; Abel, Kathryn; Elmadih, Alya

2017-01-01

This study investigated the psychometrics of a recently developed global rating measure of videotaped parent-infant interaction, the "Manchester Assessment of Caregiver-Infant Interaction" (MACI), in a normative sample. Inter-rater reliability, stability over time, and convergent and discriminant validity were tested. Six-minute play…

Particle size distribution variance in untreated urban runoff and its implication on treatment selection.

PubMed

Charters, Frances J; Cochrane, Thomas A; O'Sullivan, Aisling D

2015-11-15

Understanding the particle size distribution (PSD) of sediment in urban runoff assists in the selection of appropriate treatment systems for sediment removal as systems vary in their ability to remove sediment across different particle size fractions. Variation in PSD in runoff from individual urban surfaces both during and across multiple rain events is not well understood and it may lead to performance uncertainty in treatment systems. Runoff PSDs in international literature were compiled to provide a comparative summary of PSDs from different urban surfaces. To further assess both intra-event and inter-event PSD variation, untreated runoff was collected from road, concrete roof, copper roof, and galvanized roof surfaces within an urban catchment exposed to the same rainfall conditions and analysed for PSD and total suspended solids (TSS). Road runoff had the highest TSS concentrations, while copper roofs had high initial TSS that reduced to very low levels under steady state conditions. Despite variation in TSS concentrations, the median particle diameter of the TSS was comparable across the surfaces. Intra-event variation was generally not significant, but substantial inter-event variation was observed, particularly for coarser road and concrete roof surfaces. PSD variation for each surface contributed to a wide range in predicted treatment performance and suggests that short-retention treatment devices carry a high performance risk of not being able to achieve adequate TSS removal across all rain events. Copyright © 2015 Elsevier Ltd. All rights reserved.

Collaborative emitter tracking using Rao-Blackwellized random exchange diffusion particle filtering

NASA Astrophysics Data System (ADS)

Bruno, Marcelo G. S.; Dias, Stiven S.

2014-12-01

We introduce in this paper the fully distributed, random exchange diffusion particle filter (ReDif-PF) to track a moving emitter using multiple received signal strength (RSS) sensors. We consider scenarios with both known and unknown sensor model parameters. In the unknown parameter case, a Rao-Blackwellized (RB) version of the random exchange diffusion particle filter, referred to as the RB ReDif-PF, is introduced. In a simulated scenario with a partially connected network, the proposed ReDif-PF outperformed a PF tracker that assimilates local neighboring measurements only and also outperformed a linearized random exchange distributed extended Kalman filter (ReDif-EKF). Furthermore, the novel ReDif-PF matched the tracking error performance of alternative suboptimal distributed PFs based respectively on iterative Markov chain move steps and selective average gossiping with an inter-node communication cost that is roughly two orders of magnitude lower than the corresponding cost for the Markov chain and selective gossip filters. Compared to a broadcast-based filter which exactly mimics the optimal centralized tracker or its equivalent (exact) consensus-based implementations, ReDif-PF showed a degradation in steady-state error performance. However, compared to the optimal consensus-based trackers, ReDif-PF is better suited for real-time applications since it does not require iterative inter-node communication between measurement arrivals.

Mechanism of amorphisation of micro-particles of griseofulvin during powder flow in a mixer.

PubMed

Pazesh, Samaneh; Höckerfelt, Mina Heidarian; Berggren, Jonas; Bramer, Tobias; Alderborn, Göran

2013-11-01

The purpose of the research was to investigate the degree of solid-state amorphisation during powder flow and to propose a mechanism for this transformation. Micro-particles of griseofulvin (about 2 μm in diameter) were mixed in a shear mixer under different conditions to influence the inter-particulate collisions during flow, and the degree of amorphisation was determined by micro-calorimeter. The amorphisation of griseofulvin particles (GPs) during repeated compaction was also determined. The GPs generally became disordered during mixing in a range from about 6% to about 86%. The degree of amorphisation increased with increased mixing time and increased batch size of the mixer, whereas the addition of a lubricant to the blend reduced the degree of amorphisation. Repeated compaction using the press with ejection mode gave limited amorphisation, whereas repeated compaction without an ejection process gave minute amorphisation. It is concluded that during powder flow, the most important inter-particulate contact process that cause the transformation of a crystalline solid into an amorphous state is sliding. On the molecular scale, this amorphisation is proposed to be caused by vitrification, that is the melting of a solid because of the generation of heat during sliding followed by solidification into an amorphous phase. © 2013 Wiley Periodicals, Inc. and the American Pharmacists Association.

Multi-Objective Mission Route Planning Using Particle Swarm Optimization

DTIC Science & Technology

2002-03-01

solutions to complex problems using particles that interact with each other. Both Particle Swarm Optimization (PSO) and the Ant System (AS) have been...EXPERIMENTAL DESING PROCESS..............................................................55 5.1. Introduction...46 18. Phenotype level particle interaction

Crystal structure of 2-oxopyrrolidin-3-yl 4-(2-phenyl-diazen-1-yl)benzoate.

PubMed

Elkin, Igor; Maris, Thierry; Melkoumov, Alexandre; Hildgen, Patrice; Banquy, Xavier; Leclair, Grégoire; Barrett, Christopher

2018-04-01

In the title compound, C 17 H 15 N 3 O 3 , the plane of the pyrrolidone ring is inclined at an angle of 59.791 (2)° to that of the azo-benzene segment, which adopts a configuration close to planar. In the crystal, mol-ecules are oriented pairwise by (2-oxopyrrolidin-3-yl)-oxy moieties at an angle of 76.257 (3)°, linked by hydrogen bonds and π-stacking inter-actions, forming zigzag supra-molecular chains parallel to [010] further linked via additional C-H⋯π inter-actions.

2-(1,2,3,4-Tetra-hydro-1-naphth-yl)imidazolium chloride monohydrate.

PubMed

Bruni, Bruno; Bartolucci, Gianluca; Ciattini, Samuele; Coran, Silvia

2010-08-18

In the title compound, C(13)H(15)N(2) (+)·Cl(-)·H(2)O, the ions and water mol-ecules are -connected by N-H⋯Cl, O-H⋯Cl, NH⋯Cl⋯HO, NH⋯Cl⋯HN and OH⋯Cl⋯HO inter-actions, forming discrete D(2) and D(2) (1)(3) chains, C(2) (1)(6) chains and R(4) (2)(8) rings, leading to a neutral two-dimensional network. The crystal structure is further stabilized by π-π stacking inter-actions [centroid-centroid distance = 3.652 (11) Å].

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.

Quantum walks of two interacting particles on percolation graphs

NASA Astrophysics Data System (ADS)

Siloi, Ilaria; Benedetti, Claudia; Piccinini, Enrico; Paris, Matteo G. A.; Bordone, Paolo

2017-10-01

We address the dynamics of two indistinguishable interacting particles moving on a dynamical percolation graph, i.e., a graph where the edges are independent random telegraph processes whose values jump between 0 and 1, thus mimicking percolation. The interplay between the particle interaction strength, initial state and the percolation rate determine different dynamical regimes for the walkers. We show that, whenever the walkers are initially localised within the interaction range, fast noise enhances the particle spread compared to the noiseless case.

Crystal structure of 2-meth-oxy-2-[(4-meth-oxy-phen-yl)sulfan-yl]-1-phenyl-ethanone.

PubMed

Caracelli, Ignez; Olivato, Paulo R; Traesel, Henrique J; Valença, Jéssica; Rodrigues, Daniel N S; Tiekink, Edward R T

2015-09-01

In the title β-thio-carbonyl compound, C16H16O3S, the adjacent meth-oxy and carbonyl O atoms are synperiplanar [the O-C-C-O torsion angle is 19.8 (4)°] and are separated by 2.582 (3) Å. The dihedral angle between the rings is 40.11 (16)°, and the meth-oxy group is coplanar with the benzene ring to which it is connected [the C-C-O-C torsion angle is 179.1 (3)°]. The most notable feature of the crystal packing is the formation of methine and methyl C-H⋯O(carbon-yl) inter-actions that lead to a supra-molecular chain with a zigzag topology along the c axis. Chains pack with no specific inter-molecular inter-actions between them.

Inter-comparison of Computer Codes for TRISO-based Fuel Micro-Modeling and Performance Assessment

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

Brian Boer; Chang Keun Jo; Wen Wu

2010-10-01

The Next Generation Nuclear Plant (NGNP), the Deep Burn Pebble Bed Reactor (DB-PBR) and the Deep Burn Prismatic Block Reactor (DB-PMR) are all based on fuels that use TRISO particles as their fundamental constituent. The TRISO particle properties include very high durability in radiation environments, hence the designs reliance on the TRISO to form the principal barrier to radioactive materials release. This durability forms the basis for the selection of this fuel type for applications such as Deep Bun (DB), which require exposures up to four times those expected for light water reactors. It follows that the study and predictionmore » of the durability of TRISO particles must be carried as part of the safety and overall performance characterization of all the designs mentioned above. Such evaluations have been carried out independently by the performers of the DB project using independently developed codes. These codes, PASTA, PISA and COPA, incorporate models for stress analysis on the various layers of the TRISO particle (and of the intervening matrix material for some of them), model for fission products release and migration then accumulation within the SiC layer of the TRISO particle, just next to the layer, models for free oxygen and CO formation and migration to the same location, models for temperature field modeling within the various layers of the TRISO particle and models for the prediction of failure rates. All these models may be either internal to the code or external. This large number of models and the possibility of different constitutive data and model formulations and the possibility of a variety of solution techniques makes it highly unlikely that the model would give identical results in the modeling of identical situations. The purpose of this paper is to present the results of an inter-comparison between the codes and to identify areas of agreement and areas that need reconciliation. The inter-comparison has been carried out by the cooperating institutions using a set of pre-defined TRISO conditions (burnup levels, temperature or power levels, etc.) and the outcome will be tabulated in the full length paper. The areas of agreement will be pointed out and the areas that require further modeling or reconciliation will be shown. In general the agreement between the codes is good within less than one order of magnitude in the prediction of TRISO failure rates.« less

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.

Statistical Mechanics Provides Novel Insights into Microtubule Stability and Mechanism of Shrinkage

PubMed Central

Jain, Ishutesh; Inamdar, Mandar M.; Padinhateeri, Ranjith

2015-01-01

Microtubules are nano-machines that grow and shrink stochastically, making use of the coupling between chemical kinetics and mechanics of its constituent protofilaments (PFs). We investigate the stability and shrinkage of microtubules taking into account inter-protofilament interactions and bending interactions of intrinsically curved PFs. Computing the free energy as a function of PF tip position, we show that the competition between curvature energy, inter-PF interaction energy and entropy leads to a rich landscape with a series of minima that repeat over a length-scale determined by the intrinsic curvature. Computing Langevin dynamics of the tip through the landscape and accounting for depolymerization, we calculate the average unzippering and shrinkage velocities of GDP protofilaments and compare them with the experimentally known results. Our analysis predicts that the strength of the inter-PF interaction (Ems) has to be comparable to the strength of the curvature energy (Emb) such that Ems−Emb≈1kBT, and questions the prevalent notion that unzippering results from the domination of bending energy of curved GDP PFs. Our work demonstrates how the shape of the free energy landscape is crucial in explaining the mechanism of MT shrinkage where the unzippered PFs will fluctuate in a set of partially peeled off states and subunit dissociation will reduce the length. PMID:25692909

COOL: A code for Dynamic Monte Carlo Simulation of molecular dynamics

NASA Astrophysics Data System (ADS)

Barletta, Paolo

2012-02-01

Cool is a program to simulate evaporative and sympathetic cooling for a mixture of two gases co-trapped in an harmonic potential. The collisions involved are assumed to be exclusively elastic, and losses are due to evaporation from the trap. Each particle is followed individually in its trajectory, consequently properties such as spatial densities or energy distributions can be readily evaluated. The code can be used sequentially, by employing one output as input for another run. The code can be easily generalised to describe more complicated processes, such as the inclusion of inelastic collisions, or the possible presence of more than two species in the trap. New version program summaryProgram title: COOL Catalogue identifier: AEHJ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEHJ_v2_0.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.: 1 097 733 No. of bytes in distributed program, including test data, etc.: 18 425 722 Distribution format: tar.gz Programming language: C++ Computer: Desktop Operating system: Linux RAM: 500 Mbytes Classification: 16.7, 23 Catalogue identifier of previous version: AEHJ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 182 (2011) 388 Does the new version supersede the previous version?: Yes Nature of problem: Simulation of the sympathetic process occurring for two molecular gases co-trapped in a deep optical trap. Solution method: The Direct Simulation Monte Carlo method exploits the decoupling, over a short time period, of the inter-particle interaction from the trapping potential. The particle dynamics is thus exclusively driven by the external optical field. The rare inter-particle collisions are considered with an acceptance/rejection mechanism, that is, by comparing a random number to the collisional probability defined in terms of the inter-particle cross section and centre-of-mass energy. All particles in the trap are individually simulated so that at each time step a number of useful quantities, such as the spatial densities or the energy distributions, can be readily evaluated. Reasons for new version: A number of issues made the old version very difficult to be ported on different architectures, and impossible to compile on Windows. Furthermore, the test runs results could only be replicated poorly, as a consequence of the simulations being very sensitive to the machine background noise. In practise, as the particles are simulated for billions and billions of steps, the consequence of a small difference in the initial conditions due to the finiteness of double precision real can have macroscopic effects in the output. This is not a problem in its own right, but a feature of such simulations. However, for sake of completeness we have introduced a quadruple precision version of the code which yields the same results independently of the software used to compile it, or the hardware architecture where the code is run. Summary of revisions: A number of bugs in the dynamic memory allocation have been detected and removed, mostly in the cool.cpp file. All files have been renamed with a .cpp ending, rather than .c++, to make them compatible with Windows. The Random Number Generator routine, which is the computational core of the algorithm, has been re-written in C++, and there is no need any longer for cross FORTRAN-C++ compilation. A quadruple precision version of the code is provided alongside the original double precision one. The makefile allows the user to choose which one to compile by setting the switch PRECISION to either double or quad. The source code and header files have been organised into directories to make the code file system look neater. Restrictions: The in-trap motion of the particles is treated classically. Running time: The running time is relatively short, 1-2 hours. However it is convenient to replicate each simulation several times with different initialisations of the random sequence.

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.

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.

Functionalized patchy particles using colloidal lenses

NASA Astrophysics Data System (ADS)

Middleton, Christine

2014-03-01

Colloidal assembly had been limited by the isotropic, nonspecific nature of interactions between spherical colloidal particles. By giving particles patches functionalized with single stranded DNA, these interactions can be made both directional and specific. We create patchy particles by adding patches to spherical emulsion droplets using the depletion interaction. First we make polystyrene particles in the shape of contact lenses to be the patches. The lenses are functionalized with single stranded DNA on their convex side. Then we put the lenses on the surface of oil emulsion droplets using the depletion interaction, creating a patch (or multiple patches) on the surface of each emulsion droplet. The emulsion droplets can now interact with each other in a specific, directional way through DNA functionalized patches.

Aerodynamic generation of electric fields in turbulence laden with charged inertial particles.

PubMed

Di Renzo, M; Urzay, J

2018-04-26

Self-induced electricity, including lightning, is often observed in dusty atmospheres. However, the physical mechanisms leading to this phenomenon remain elusive as they are remarkably challenging to determine due to the high complexity of the multi-phase turbulent flows involved. Using a fast multi-pole method in direct numerical simulations of homogeneous turbulence laden with hundreds of millions of inertial particles, here we show that mesoscopic electric fields can be aerodynamically created in bi-disperse suspensions of oppositely charged particles. The generation mechanism is self-regulating and relies on turbulence preferentially concentrating particles of one sign in clouds while dispersing the others more uniformly. The resulting electric field varies over much larger length scales than both the mean inter-particle spacing and the size of the smallest eddies. Scaling analyses suggest that low ambient pressures, such as those prevailing in the atmosphere of Mars, increase the dynamical relevance of this aerodynamic mechanism for electrical breakdown.

The role of particle collisions in pneumatic transport

NASA Technical Reports Server (NTRS)

Mastorakos, E.; Louge, M.; Jenkins, J. T.

1989-01-01

A model of dilute gas-solid flow in vertical risers is developed in which the particle phase is treated as a granular material, the balance equations for rapid granular flow are modified to incorporate the drag force from the gas, and boundary conditions, based on collisional exchanges of momentum and energy at the wall, are employed. In this model, it is assumed that the particle fluctuations are determined by inter-particle collisions only and that the turbulence of the gas is unaffected by the presence of the particles. The model is developed in the context of, but not limited to, steady, fully developed flow. A numerical solution of the resulting governing equations provides concentration profiles generally observed in dilute pneumatic flow, velocity profiles in good agreement with the measurements of Tsuji, et al. (1984), and an explanation for the enhancement of turbulence that they observed.

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

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.

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.

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.

PPPC 4 DM secondary: a Poor Particle Physicist Cookbook for secondary radiation from Dark Matter

NASA Astrophysics Data System (ADS)

Buch, Jatan; Cirelli, Marco; Giesen, Gaëlle; Taoso, Marco

2015-09-01

We enlarge the set of recipes and ingredients at disposal of any poor particle physicist eager to cook up signatures from weak-scale Dark Matter models by computing two secondary emissions due to DM particles annihilating or decaying in the galactic halo, namely the radio signals from synchrotron emission and the gamma rays from bremsstrahlung. We consider several magnetic field configurations and propagation scenarios for electrons and positrons. We also provide an improved energy loss function for electrons and positrons in the Galaxy, including synchrotron losses in the different configurations, bremsstrahlung losses, ionization losses and Inverse Compton losses with an updated InterStellar Radiation Field.

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...

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.

SPH Numerical Modeling for the Wave-Thin Structure Interaction

NASA Astrophysics Data System (ADS)

Ren, Xi-feng; Sun, Zhao-chen; Wang, Xing-gang; Liang, Shu-xiu

2018-04-01

In this paper, a numerical model of 2D weakly compressible smoothed particle hydrodynamics (WCSPH) is developed to simulate the interaction between waves and thin structures. A new color domain particle (CDP) technique is proposed to overcome difficulties of applying the ghost particle method to thin structures in dealing with solid boundaries. The new technique can deal with zero-thickness structures. To apply this enforcing technique, the computational fluid domain is divided into sub domains, i.e., boundary domains and internal domains. A color value is assigned to each particle, and contains the information of the domains in which the particle belongs to and the particles can interact with. A particle, nearby a thin boundary, is prevented from interacting with particles, which should not interact with on the other side of the structure. It is possible to model thin structures, or the structures with the thickness negligible with this technique. The proposed WCSPH module is validated for a still water tank, divided by a thin plate at the middle section, with different water levels in the subdomains, and is applied to simulate the interaction between regular waves and a perforated vertical plate. Finally, the computation is carried out for waves and submerged twin-horizontal plate interaction. It is shown that the numerical results agree well with experimental data in terms of the pressure distribution, pressure time series and wave transmission.

Parking simulation of three-dimensional multi-sized star-shaped particles

NASA Astrophysics Data System (ADS)

Zhu, Zhigang; Chen, Huisu; Xu, Wenxiang; Liu, Lin

2014-04-01

The shape and size of particles may have a great impact on the microstructure as well as the physico-properties of particulate composites. However, it is challenging to configure a parking system of particles to a geometrical shape that is close to realistic grains in particulate composites. In this work, with the assistance of x-ray tomography and a spherical harmonic series, we present a star-shaped particle that is close to realistic arbitrary-shaped grains. To realize such a hard particle parking structure, an inter-particle overlapping detection algorithm is introduced. A serial sectioning approach is employed to visualize the particle parking structure for the purpose of justifying the reliability of the overlapping detection algorithm. Furthermore, the validity of the area and perimeter of solids in any arbitrary section of a plane calculated using a numerical method is verified by comparison with those obtained using an image analysis approach. This contribution is helpful to further understand the dependence of the micro-structure and physico-properties of star-shaped particles on the realistic geometrical shape.

Gravimetric measurement of momentary drying rate of spray freeze-dried powders in vials.

PubMed

Gieseler, Henning; Lee, Geoffrey

2009-09-01

The profile of drying rate versus primary drying time for a spray freeze-dried trehalose aqueous solution is much different from that determined for regular freeze-drying. Drying rate declines very rapidly, attributed to rate-limiting heat transfer through the packed bed of frozen microparticles contained in a vial. The inter-particulate spaces appear to be the cause of this rate limitation. Use of either liquid nitrogen or liquid propane as a cryogenic produced strong differences in both SFD particle morphology and drying rate using trehalose, sucrose, or mannitol. The lack of any evident correlation supports the argument that the inter-particulate voids determine drying behavior.

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.

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

Crystal structure of (E)-4-hy-droxy-N'-(3-meth-oxy-benzyl-idene)benzohydrazide.

PubMed

Chantrapromma, Suchada; Prachumrat, Patcharawadee; Ruanwas, Pumsak; Boonnak, Nawong; Kassim, Mohammad B

2016-09-01

The title compound, C 15 H 14 N 2 O 3 , crystallizes with two independent mol-ecules ( A and B ) in the asymmetric unit that differ in the orientation of the 3-meth-oxy-phenyl group with respect to the methyl-idenebenzohydrazide unit. The dihedral angles between the two benzene rings are 24.02 (10) and 29.30 (9)° in mol-ecules A and B , respectively. In mol-ecule A , the meth-oxy group is twisted slightly relative to its bound benzene ring, with a C meth-yl -O-C-C torsion angle of 14.2 (3)°, whereas it is almost co-planar in mol-ecule B , where the corresponding angle is -2.4 (3)°. In the crystal, the mol-ecules are linked by N-H⋯O, O-H⋯N and O-H⋯O hydrogen bonds, as well as by weak C-H⋯O inter-actions, forming sheets parallel to the bc plane. The N-H⋯O hydrogen bond and weak C-H⋯O inter-action link different mol-ecules ( A ⋯ B ) whereas both O-H⋯N and O-H⋯O hydrogen bonds link like mol-ecules ( A ⋯ A ) and ( B ⋯ B ). Pairs of inversion-related B mol-ecules are stacked approximately along the a axis by π-π inter-actions in which the distance between the centroids of the 3-meth-oxy-phenyl rings is 3.5388 (12) Å. The B mol-ecules also participate in weak C-H⋯π inter-actions between the 4-hy-droxy-phenyl and the 3-meth-oxy-phenyl rings.

Constraints on the Interstellar Dust Flux Based on Stardust at Home Search Results

NASA Technical Reports Server (NTRS)

Zolensky, Michael E.; Westphal, J.; Allen, C.; Anderson, D.; Bajt, S.; Bechtel, H. A.; Borg, J.; Brenker, F.; Bridges, J.; Brownlee, D. E.;

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.

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.

Sign Reversal of Coulom Interaction Between Two Quasiparticles in Momentum Space

NASA Astrophysics Data System (ADS)

Fan, J. D.; Malozovsky, Yuriy M.

2013-06-01

The main misconception regarding the interaction between quasiparticles stems from the assertion that the interaction energy between two quasiparticles is exactly identical to that of the renormalized interaction between two particles due to interparticle interaction in the Fermi system. If the main concept regarding the definition of quasiparticle as a weakly excited state of the Fermi system with conservation of charge and spin is paramount (except for the charge and spin separation models), the concept of the interaction between quasiparticles is very different from the assumption in the common sense. In this paper, we will prove a general theorem that the interaction between two quasiparticles is very much different from the renormalized interaction between two particles. The major difference lies in two places: the interaction between two quasiparticles is just negative to the renormalized interaction between two particles, and the interaction energy between the two particles is proportional to the product of two Fermi liquid renormalization factors. The result shed light on the reinterpretation of Cooper's pairing without invoking electron-photon interaction.

Some Basic Concepts of Wave-Particle Interactions in Collisionless Plasmas

NASA Technical Reports Server (NTRS)

Lakhina, Gurbax S.; Tsurutani, Bruce T.

1997-01-01

The physical concepts of wave-particle interactions in a collisionless plasma are developed from first principles. Using the Lorentz force, starting with the concepts of gyromotion, particle mirroring and the loss-cone, normal and anomalous cyclotron resonant interactions, pitch-angle scattering, and cross-field diffusion are developed.

Coulomb-like elastic interaction induced by symmetry breaking in nematic liquid crystal colloids.

PubMed

Lee, Beom-Kyu; Kim, Sung-Jo; Kim, Jong-Hyun; Lev, Bohdan

2017-11-21

It is generally thought that colloidal particles in a nematic liquid crystal do not generate the first multipole term called deformation elastic charge as it violates the mechanical equilibrium. Here, we demonstrate theoretically and experimentally that this is not the case, and deformation elastic charges, as well as dipoles and quadrupoles, can be induced through anisotropic boundary conditions. We report the first direct observation of Coulomb-like elastic interactions between colloidal particles in a nematic liquid crystal. The behaviour of two spherical colloidal particles with asymmetric anchoring conditions induced by asymmetric alignment is investigated experimentally; the interaction of two particles located at the boundary of twist and parallel aligned regions is observed. We demonstrate that such particles produce deformation elastic charges and interact by Coulomb-like interactions.

Nanoscale thin film growth of Au on Si(111)-7 × 7 surface by pulsed laser deposition method

NASA Astrophysics Data System (ADS)

Yokotani, Atsushi; Kameyama, Akihiro; Nakayoshi, Kohei; Matsunaga, Yuta

2017-03-01

To obtain important information for fabricating atomic-scale Au thin films that are used for biosensors, we have observed the morphology of Au particles adsorbed on a Si(111)-7 × 7 surface, which is supposed to be the initial stage of Au atomistic thin film formation. Au particles were adsorbed on the clean Si surface using a PLD method, and the adsorbed particles were observed using a scanning tunneling microscope. As the number of laser shots was increased in the PLD method, the size of the adsorbed particle became larger. The larger particles seemed to form clusters, which are aggregations of particles in which each particle is distinguished, so we call this type of cluster a film-shaped cluster. In this work, we have mainly analyzed this type of cluster. As a result the film-shaped clusters were found to have a structure of nearly monoatomic layers. The particles in the clusters were gathered closely in roughly a 3-fold structure with an inter particle distance of 0.864 nm. We propose a model for the cluster structure by modifying Au(111) face so that each observed particle consists of three Au atoms.

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.

A Computational Study of Nasal Spray Deposition Pattern in Four Ethnic Groups

PubMed Central

Keeler, Jarrod A.; Patki, Aniruddha; Woodard, Charles R.

2016-01-01

Abstract Background: Very little is known about the role of nasal morphology due to ethnic variation on particle deposition pattern in the sinonasal cavity. This preliminary study utilizes computational fluid dynamics (CFD) modeling to investigate sinonasal airway morphology and deposition patterns of intranasal sprayed particles in the nose and sinuses of individuals from four different ethnic groups: African American (Black); Asian; Caucasian; and Latin American. Methods: Sixteen subjects (four from each ethnic group) with “normal” sinus protocol computed tomography (CT) were selected for CFD analysis. Three-dimensional reconstruction of each subject's sinonasal cavity was created from their personal CT images. CFD simulations were carried out in ANSYS Fluent™ in two phases: airflow phase was done by numerically solving the Navier-Stokes equations for steady state laminar inhalation; and particle dispersed phase was solved by tracking injected (sprayed) particles through the calculated airflow field. A total of 10,000 particle streams were released from each nostril, 1000 particles per diameter ranging from 5 μm to 50 μm, with size increments of 5 μm. Results: As reported in the literature, Caucasians (5.31 ± 0.42 cm−1) and Latin Americans (5.16 ± 0.40cm−1) had the highest surface area to volume ratio, while African Americans had highest nasal index (95.91 ± 2.22). Nasal resistance (NR) was highest among Caucasians (0.046 ± 0.008 Pa.s/mL) and Asians (0.042 ± 0.016Pa.s/mL). Asians and African Americans had the most regions with particle deposition for small (5 μm–15 μm) and large (20 μm–50 μm) particle sizes, respectively. Asians and Latin Americans individuals had the most consistent regional particle deposition pattern in the main nasal cavities within their respective ethnic groups. Conclusions: Preliminary results from these ethnic groups investigated showed that Caucasians and Latin Americans had the least patent nasal cavity. Furthermore, Caucasians and African Americans had the lowest inter-subject consistency in regional particle deposition pattern; this may be due to greater inter-subject variability in their respective nasal vestibule morphology. PMID:26270330

A Computational Study of Nasal Spray Deposition Pattern in Four Ethnic Groups.

PubMed

Keeler, Jarrod A; Patki, Aniruddha; Woodard, Charles R; Frank-Ito, Dennis O

2016-04-01

Very little is known about the role of nasal morphology due to ethnic variation on particle deposition pattern in the sinonasal cavity. This preliminary study utilizes computational fluid dynamics (CFD) modeling to investigate sinonasal airway morphology and deposition patterns of intranasal sprayed particles in the nose and sinuses of individuals from four different ethnic groups: African American (Black); Asian; Caucasian; and Latin American. Sixteen subjects (four from each ethnic group) with "normal" sinus protocol computed tomography (CT) were selected for CFD analysis. Three-dimensional reconstruction of each subject's sinonasal cavity was created from their personal CT images. CFD simulations were carried out in ANSYS Fluent(™) in two phases: airflow phase was done by numerically solving the Navier-Stokes equations for steady state laminar inhalation; and particle dispersed phase was solved by tracking injected (sprayed) particles through the calculated airflow field. A total of 10,000 particle streams were released from each nostril, 1000 particles per diameter ranging from 5 μm to 50 μm, with size increments of 5 μm. As reported in the literature, Caucasians (5.31 ± 0.42 cm(-1)) and Latin Americans (5.16 ± 0.40cm(-1)) had the highest surface area to volume ratio, while African Americans had highest nasal index (95.91 ± 2.22). Nasal resistance (NR) was highest among Caucasians (0.046 ± 0.008 Pa.s/mL) and Asians (0.042 ± 0.016Pa.s/mL). Asians and African Americans had the most regions with particle deposition for small (5 μm-15 μm) and large (20 μm-50 μm) particle sizes, respectively. Asians and Latin Americans individuals had the most consistent regional particle deposition pattern in the main nasal cavities within their respective ethnic groups. Preliminary results from these ethnic groups investigated showed that Caucasians and Latin Americans had the least patent nasal cavity. Furthermore, Caucasians and African Americans had the lowest inter-subject consistency in regional particle deposition pattern; this may be due to greater inter-subject variability in their respective nasal vestibule morphology.

Direct numerical simulations of agglomeration of circular colloidal particles in two-dimensional shear flow

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

Choi, Young Joon, E-mail: yjchoi@uvic.ca; Djilali, Ned, E-mail: ndjilali@uvic.ca

2016-01-15

Colloidal agglomeration of nanoparticles in shear flow is investigated by solving the fluid-particle and particle-particle interactions in a 2D system. We use an extended finite element method in which the dynamics of the particles is solved in a fully coupled manner with the flow, allowing an accurate description of the fluid-particle interfaces without the need of boundary-fitted meshes or of empirical correlations to account for the hydrodynamic interactions between the particles. Adaptive local mesh refinement using a grid deformation method is incorporated with the fluid-structure interaction algorithm, and the particle-particle interaction at the microscopic level is modeled using the Lennard-Jonesmore » potential. Motivated by the process used in fabricating fuel cell catalysts from a colloidal ink, the model is applied to investigate agglomeration of colloidal particles under external shear flow in a sliding bi-periodic Lees-Edwards frame with varying shear rates and particle fraction ratios. Both external shear and particle fraction are found to have a crucial impact on the structure formation of colloidal particles in a suspension. Segregation intensity and graph theory are used to analyze the underlying agglomeration patterns and structures, and three agglomeration regimes are identified.« less

A Novel Optoelectronic Device Based on Correlated Two-Dimensional Fermions

NASA Astrophysics Data System (ADS)

Dianat, Pouya

Conventional metallic contacts can be replicated by quantum two dimensional charge (of Fermion) systems (2DFS). Unlike metals, the particle concentration of these "unconventional" systems can be accurately controlled in an extensive range and by means of external electronic or optical stimuli. A 2DFS can, hence, transition from a high-density kinetic liquid into a dilute-but highly correlated-gas state, in which inter-particle Coulombic interactions are significant. Such interactions contribute negatively, by so-called exchange-correlation energies, to the overall energetics of the system, and are manifested as a series negative quantum capacitance. This dissertation investigates the capacitive performance of a class of unconventional devices based on a planar metal-semiconductor-metal structure with an embedded 2DFS. They constitute an opto-electronically controlled variable capacitor, with record breaking figures-of-merit in capacitance tuning ranges of up to 7000 and voltage sensitivities as large as 400. Internal eld manipulations by localized depletion of a dense 2DFS account for the enlarged maximum and reduced minimum capacitances. The capacitance-voltage characteristics of these devices incur an anomalous "Batman" shape capacitance enhancement (CE) of up to 200% that may be triggered optically. The CE is attributed to the release and storage of exchange-correlation energies; from the "unconventional" plate and in the dielectric, respectively. This process is enforced by density manipulation of the 2DFS by a hybrid of an external eld and light-generated carriers. Under moderate optical powers, the capacitance becomes 43 times greater than the dark value; thus a new capacitance-based photodetection method is offered. This new capacitance based photodetection method has a range of applications in optoelectronics, particularly in the next generation of photonic integrated systems.

Developing Empathetic Skills among Teachers and Learners in High Schools in Tshwane: An Inter-Generational Approach Involving People with Dementia

ERIC Educational Resources Information Center

Alant, Erna; Geyer, Stephan; Verde, Michael

2015-01-01

This article describes the implementation and outcomes of an experiential learning approach to facilitate the development of empathetic skills among teachers and learners at two high schools in Tshwane, South Africa. An inter-generational training programme, the Memory Bridge Initiative (MBI), aimed at exposing participants to interactions with…

rac-4-(2-Meth-oxy-phen-yl)-2,6-dimethyl-cyclo-hex-3-ene-carb-oxy-lic acid.

PubMed

Xie, Songwen; Fowler, Brian P; Deyo, Sara M; Pink, Maren

2010-05-29

The title compound, C(16)H(20)O(3), was synthesized to study the hydrogen-bonding inter-actions of the two enanti-omers in the solid state. Inter-molecular O-H⋯O hydrogen bonds produce centrosymmetric R(2) (2)(8) rings which dimerize the two chiral enanti-omers together through their carboxyl groups.

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

A novel epistatic interaction at two loci causing hybrid male sterility in an inter-subspecific cross of rice (Oryza sativa L.).

PubMed

Kubo, Takahiko; Yamagata, Yoshiyuki; Eguchi, Maki; Yoshimura, Atsushi

2008-12-01

Postzygotic reproductive isolation (RI) often arises in inter-subspecific crosses as well as inter-specific crosses of rice (Oryza sativa L.). To further understand the genetic architecture of the postzygotic RI, we analyzed genes causing hybrid sterility and hybrid breakdown in a rice inter-subspecific cross. Here we report hybrid male sterility caused by epistatic interaction between two novel genes, S24 and S35, which were identified on rice chromosomes 5 and 1, respectively. Genetic analysis using near-isogenic lines (NILs) carrying IR24 (ssp. indica) segments with Asominori (ssp. japonica) genetic background revealed a complicated aspect of the epistasis. Allelic interaction at the S24 locus in the heterozygous plants caused abortion of male gametes carrying the Asominori allele (S24-as) independent of the S35 genotype. On the other hand, male gametes carrying the Asominori allele at the S35 locus (S35-as) showed abortion only when the IR24 allele at the S24 locus (S24-ir) was concurrently introgressed into the S35 heterozygous plants, indicating that the sterility phenotype due to S35 was dependent on the S24 genotype through negative epistasis between S24-ir and S35-as alleles. Due to the interaction between S24 and S35, self-pollination of the double heterozygous plants produced pollen-sterile progeny carrying the S24-ir/S24-ir S35-as/S35-ir genotype in addition to the S24 heterozygous plants. This result suggests that the S35 gene might function as a modifier of S24. This study presents strong evidence for the importance of epistatic interaction as a part of the genetic architecture of hybrid sterility in rice. In addition, it suggests that diverse systems have been developed as postzygotic RI mechanisms within the rice.

Descriptive analysis of the verbal behavior of a therapist: a known-group validity analysis of the putative behavioral functions involved in clinical interaction.

PubMed

Virues-Ortega, Javier; Montaño-Fidalgo, Montserrat; Froján-Parga, María Xesús; Calero-Elvira, Ana

2011-12-01

This study analyzes the interobserver agreement and hypothesis-based known-group validity of the Therapist's Verbal Behavior Category System (SISC-INTER). The SISC-INTER is a behavioral observation protocol comprised of a set of verbal categories representing putative behavioral functions of the in-session verbal behavior of a therapist (e.g., discriminative, reinforcing, punishing, and motivational operations). The complete therapeutic process of a clinical case of an individual with marital problems was recorded (10 sessions, 8 hours), and data were arranged in a temporal sequence using 10-min periods. Hypotheses based on the expected performance of the putative behavioral functions portrayed by the SISC-INTER codes across prevalent clinical activities (i.e., assessing, explaining, Socratic method, providing clinical guidance) were tested using autoregressive integrated moving average (ARIMA) models. Known-group validity analyses provided support to all hypotheses. The SISC-INTER may be a useful tool to describe therapist-client interaction in operant terms. The utility of reliable and valid protocols for the descriptive analysis of clinical practice in terms of verbal behavior is discussed. Copyright © 2011. Published by Elsevier Ltd.

2,4-Bis(3-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one.

PubMed

Parthiban, P; Ramkumar, V; Jeong, Yeon Tae

2009-12-04

In the crystal structure, the title compound, C(22)H(25)NO(3), exists in a twin-chair conformation with equatorial orientations of the meta-methoxy-phenyl groups on both sides of the secondary amino group. The title compound is a positional isomer of 2,4-bis-(2-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one and 2,4-bis-(4-methoxy-phen-yl)-3-aza-bicyclo-[3.3.1]nonan-9-one, which both also exhibit twin-chair conformations with equatorial dispositions of the anisyl rings on both sides of the secondary amino group. In the title compound, the meta-methoxy-phenyl rings are orientated at an angle of 25.02 (3)° with respect to each other, whereas in the ortho and para isomers, the anisyl rings are orientated at dihedral angles of 33.86 (3) and 37.43 (4)°, respectively. The crystal packing is dominated by van der Waals inter-actions and by an inter-molecular N-H⋯O hydrogen bond, whereas in the ortho isomer, an inter-molecular N-H⋯π inter-action (H⋯Cg = 2.75 Å) is found.

Redetermination of (2,2'-bipyridine-κN,N')dichlorido-palladium(II) dichloro-methane solvate.

PubMed

Kim, Nam-Ho; Hwang, In-Chul; Ha, Kwang

2009-05-07

In the title compound, [PdCl(2)(C(10)H(8)N(2))]·CH(2)Cl(2), the Pd(2+) ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2'-bipyridine (bipy) ligand and two chloride ions. The compound displays intra-molecular C-H⋯Cl hydrogen bonds and pairs of complex mol-ecules are connected by inter-molecular C-H⋯Cl hydrogen bonds. Inter-molecular π-π inter-actions are present between the pyridine rings of the ligand, the shortest centroid-centroid distance being 4.096 (3) Å. As a result of the electronic nature of the chelate ring, it is possible to create π-π inter-actions to its symmetry-related counterpart [3.720 (2) Å] and also with a pyridine ring [3.570 (3) Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicente et al. (1997 ▶). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.

Synthesis and crystal structures of (2E)-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione and (2E)-1,4-bis-(4-bromo-phen-yl)but-2-ene-1,4-dione.

PubMed

Lastovickova, Dominika N; La Scala, John J; Sausa, Rosario C

2018-03-01

The mol-ecular structure of (2 E )-1,4-bis-(4-chloro-phen-yl)but-2-ene-1,4-dione [C 16 H 10 Cl 2 O 2 , ( 1 )] is composed of two p -chlorophenyl rings, each bonded on opposite ends to a near planar 1,4- trans enedione moiety [-C(=O)-CH=CH-(C=O)-] [r.m.s. deviation = 0.003 (1) Å]. (2 E )-1,4-Bis(4-bromo-phen-yl)but-2-ene-1,4-dione [C 16 H 10 Br 2 O 2 , ( 2 )] has a similar structure to ( 1 ), but with two p -bromophenyl rings and a less planar enedione group [r.m.s. deviation = 0.011 (1) Å]. Both mol-ecules sit on a center of inversion, thus Z ' = 0.5. The dihedral angles between the ring and the enedione group are 16.61 (8) and 15.58 (11)° for ( 1 ) and ( 2 ), respectively. In the crystal, mol-ecules of ( 1 ) exhibit C-Cl⋯Cl type I inter-actions, whereas mol-ecules of ( 2 ) present C-Br⋯Br type II inter-actions. van der Waals-type inter-actions contribute to the packing of both mol-ecules, and the packing reveals face-to-face ring stacking with similar inter-planar distances of approximately 3.53 Å.

Crystal structure of a mixed-ligand dinuclear Ba-Zn complex with 2-meth-oxy-ethanol having tri-phenyl-acetate and chloride bridges.

PubMed

Utko, Józef; Sobocińska, Maria; Dobrzyńska, Danuta; Lis, Tadeusz

2015-07-01

The dinuclear barium-zinc complex, μ-chlorido-1:2κ(2) Cl:Cl-chlorido-2κCl-bis-(2-meth-oxy-ethanol-1κO)bis-(2-meth-oxy-ethanol-1κ(2) O,O')bis-(μ-tri-phenyl-acetato-1:2κ(2) O:O')bariumzinc, [BaZn(C20H15O2)2Cl2(C3H8O2)4], has been synthesized by the reaction of barium tri-phenyl-acetate, anhydrous zinc chloride and 2-meth-oxy-ethanol in the presence of toluene. The barium and zinc metal cations in the dinuclear complex are linked via one chloride anion and carboxyl-ate O atoms of the tri-phenyl-acetate ligands, giving a Ba⋯Zn separation of 3.9335 (11) Å. The irregular nine-coordinate BaO8Cl coordination centres comprise eight O-atom donors, six of them from 2-meth-oxy-ethanol ligands (four from two bidentate O,O'-chelate inter-actions and two from monodentate inter-actions), two from bridging tri-phenyl-acetate ligands and one from a bridging Cl donor. The distorted tetra-hedral coordination sphere of zinc comprises two O-atom donors from the tri-phenyl-acetate ligands and two Cl donors (one bridging and one terminal). In the crystal, O-H⋯Cl, O-H⋯O and C-H⋯Cl inter-molecular inter-actions form a layered structure, lying parallel to (001).

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

Direct observation of individual particle armored bubble interaction, stability, and coalescence dynamics.

PubMed

Tan, Sin-Ying; Ata, Seher; Wanless, Erica J

2013-07-18

The interactions between two individual particle-stabilized bubbles were investigated, in the absence of surfactant, using a combination of coalescence rig and high-speed video camera. This combination allows the visualization of bubble coalescence dynamics which provide information on bubble stability. Experimental data suggested that bubble stability is enhanced by both the adsorption of particles at the interface as indicated by the long induction time and the increase in damping coefficient at high surface coverage. The interaction between an armored bubble and a bare bubble (asymmetric interaction) can be destabilized through the addition of a small amount of salt, which suggested that electrostatic interactions play a significant role in bubble stability. Interestingly, the DLVO theory cannot be used to describe the bubble stability in the case of a symmetric interaction as coalescence was inhibited at 0.1 M KCl in both the absence and presence of particles at the interfaces. Furthermore, bubbles can also be destabilized by increasing the particle hydrophobicity. This behavior is due to thinner liquid films between bubbles and an increase in film drainage rate. The fraction of particles detached from the bubble surface after film rupture was found to be very similar within the range of solution ionic strength, surface coverage, and particle hydrophobicity studied. This lack of dependence implies that the kinetic energy generated by the coalescing bubbles is larger than the attachment energy of the particles and dominates the detachment process. This study illuminates the stability behavior of individual particle-stabilized bubbles and has potential impact on processes which involve their interaction.

A structural comparison of 'real' and 'model' calmodulin clarified allosteric interactions regulating domain motion.

PubMed

Shimoyama, Hiromitsu

2018-05-07

Calmodulin (CaM) is a multifunctional calcium-binding protein, which regulates various biochemical processes. CaM acts via structural changes and complex forming with its target enzymes. CaM has two globular domains (N-lobe and C-lobe) connected by a long linker region. Upon calcium binding, the N-lobe and C-lobe undergo local conformational changes, after that, entire CaM wraps the target enzyme through a large conformational change. However, the regulation mechanism, such as allosteric interactions regulating the conformational changes, is still unclear. In order to clarify the allosteric interactions, in this study, experimentally obtained 'real' structures are compared to 'model' structures lacking the allosteric interactions. As the allosteric interactions would be absent in calcium-free CaM (apo-CaM), allostery-eliminated calcium-bound CaM (holo-CaM) models were constructed by combining the apo-CaM's linker and the holo-CaM's N- and C-lobe. Before the comparison, the 'real' and 'model' structures were clustered and cluster-cluster relationship was determined by a principal component analysis. The structures were compared based on the relationship, then, a distance map and a contact probability analysis clarified that the inter-domain motion is regulated by several groups of inter-domain contacting residue pairs. The analyses suggested that these residues cause inter-domain translation and rotation, and as a consequence, the motion encourage structural diversity. The resultant diversity would contribute to the functional versatility of CaM.

Collision of impurities with Bose–Einstein condensates

NASA Astrophysics Data System (ADS)

Lingua, F.; Lepori, L.; Minardi, F.; Penna, V.; Salasnich, L.

2018-04-01

Quantum dynamics of impurities in a bath of bosons is a long-standing problem in solid-state, plasma, and atomic physics. Recent experimental and theoretical investigations with ultracold atoms have focused on this problem, studying atomic impurities immersed in an atomic Bose–Einstein condensate (BEC) and for various relative coupling strengths tuned by the Fano‑Feshbach resonance technique. Here, we report extensive numerical simulations on a closely related problem: the collision between a bosonic impurity consisting of a few 41K atoms and a BEC of 87Rb atoms in a quasi one-dimensional configuration and under a weak harmonic axial confinement. For small values of the inter-species interaction strength (regardless of its sign), we find that the impurity, which starts from outside the BEC, simply causes the BEC cloud to oscillate back and forth, but the frequency of oscillation depends on the interaction strength. For intermediate couplings, after a few cycles of oscillation the impurity is captured by the BEC, and strongly changes its amplitude of oscillation. In the strong interaction regime, if the inter-species interaction is attractive, a local maximum (bright soliton) in the BEC density occurs where the impurity is trapped; if, instead, the inter-species interaction is repulsive, the impurity is not able to enter the BEC cloud and the reflection coefficient is close to one. However, if the initial displacement of the impurity is increased, the impurity is able to penetrate the cloud, leading to the appearance of a moving hole (dark soliton) in the BEC.

Determining chewing efficiency using a solid test food and considering all phases of mastication.

PubMed

Liu, Ting; Wang, Xinmiao; Chen, Jianshe; van der Glas, Hilbert W

2018-07-01

Following chewing a solid food, the median particle size, X 50 , is determined after N chewing cycles, by curve-fitting of the particle size distribution. Reduction of X 50 with N is traditionally followed from N ≥ 15-20 cycles when using the artificial test food Optosil ® , because of initially unreliable values of X 50 . The aims of the study were (i) to enable testing at small N-values by using initial particles of appropriate size, shape and amount, and (ii) to compare measures of chewing ability, i.e. chewing efficiency (N needed to halve the initial particle size, N(1/2-Xo)) and chewing performance (X 50 at a particular N-value, X 50,N ). 8 subjects with a natural dentition chewed 4 types of samples of Optosil particles: (1) 8 cubes of 8 mm, border size relative to bin size (traditional test), (2) 9 half-cubes of 9.6 mm, mid-size; similar sample volume, (3) 4 half-cubes of 9.6 mm, and 2 half-cubes of 9.6 mm; reduced particle number and sample volume. All samples were tested with 4 N-values. Curve-fitting with a 2nd order polynomial function yielded log(X 50 )-log(N) relationships, after which N(1/2-Xo) and X 50,N were obtained. Reliable X 50 -values are obtained for all N-values when using half-cubes with a mid-size relative to bin sizes. By using 2 or 4 half-cubes, determination of N(1/2-Xo) or X 50,N needs less chewing cycles than traditionally. Chewing efficiency is preferable over chewing performance because of a comparison of inter-subject chewing ability at the same stage of food comminution and constant intra-subject and inter-subject ratios between and within samples respectively. Copyright © 2018 Elsevier Ltd. All rights reserved.

Influence of IL1B, IL6 and IL10 gene variants and plasma fatty acid interaction on metabolic syndrome risk in a cross-sectional population-based study.

PubMed

Maintinguer Norde, Marina; Oki, Erica; Ferreira Carioca, Antonio Augusto; Teixeira Damasceno, Nágila Raquel; Fisberg, Regina Mara; Lobo Marchioni, Dirce Maria; Rogero, Marcelo Macedo

2018-04-01

Metabolic syndrome (MetS) is a cluster of interrelated risk factors for type 2 diabetes mellitus, and cardiovascular disease, with underlying inflammatory pathophysiology. Genetic variations and diet are well-known risk factor for MetS, but the interaction between these two factors is less explored. The aim of the study was to evaluate the influence of interaction between SNP of inflammatory genes (encoding interleukin (IL)-6, IL-1β and IL-10) and plasma fatty acids on the odds of MetS, in a population-based cross-sectional study. Among participants of the Health Survey - São Paulo, 301 adults (19-59 y) from whom a blood sample was collected were included. Individuals with and without MetS were compared according to their plasma inflammatory biomarkers, fatty acid profile, and genotype frequency of the IL1B (rs16944, rs1143623, rs1143627, rs1143634 and rs1143643), IL6 (rs1800795, rs1800796 and rs1800797) and IL10 (rs1554286, rs1800871, rs1800872, rs1800890 and rs3024490) genes SNP. The influence of gene-fatty acids interaction on MetS risk was investigated. IL6 gene SNP rs1800795 G allele was associated with higher odds for MetS (OR = 1.88; p = 0.017). Gene-fatty acid interaction was found between the IL1B gene SNP rs116944 and stearic acid (p inter = 0.043), and between rs1143634 and EPA (p inter = 0.017). For the IL10 gene SNP rs1800896, an interaction was found for arachidonic acid (p inter = 0.007) and estimated D5D activity (p inter = 0.019). The IL6 gene SNP rs1800795 G allele is associated with increased odds for MetS. Plasma fatty acid profile interacts with the IL1B and IL10 gene variants to modulate the odds for MetS. This and other interactions of risk factors can account for the unexplained heritability of MetS, and their elucidation can lead to new strategies for genome-customized prevention of MetS. Copyright © 2017 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

Enhanced magnetization in VxFe3-xO4 nanoparticles

NASA Astrophysics Data System (ADS)

Pool, V. L.; Kleb, M. T.; Chorney, C. L.; Arenholz, E.; Idzerda, Y. U.

2015-12-01

Nanoparticles of VxFe3-xO4 with up to 33% vanadium doping (x=0 to 1) and a 9 nm diameter are investigated in order to determine the site preference of the vanadium and the magnetic behavior of the nanoparticles. The iron and vanadium L23-edge X-ray absorption spectroscopy (XAS) and X-ray magnetic circular dichroism (MCD) spectra are used to identify that vanadium initially substitutes into the tetrahedral iron site as V3+ and that the average iron moment is observed to increase with vanadium concentration up to 12.5% (x=.375). When the vanadium incorporation exceeds 12.5%, the XAS and MCD show that the vanadium begins substituting as V2+ in the octahedral coordination. This coincides with a rapid reduction of the average moment to zero by 25% (x=.75). The frequency-dependent alternating-current magnetic susceptibility (ACMS) displays a substantial increase in blocking temperature with vanadium concentration and indicated substantial variation in the strength of inter-particle interactions.

Parallel Index and Query for Large Scale Data Analysis

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

Chou, Jerry; Wu, Kesheng; Ruebel, Oliver

2011-07-18

Modern scientific datasets present numerous data management and analysis challenges. State-of-the-art index and query technologies are critical for facilitating interactive exploration of large datasets, but numerous challenges remain in terms of designing a system for process- ing general scientific datasets. The system needs to be able to run on distributed multi-core platforms, efficiently utilize underlying I/O infrastructure, and scale to massive datasets. We present FastQuery, a novel software framework that address these challenges. FastQuery utilizes a state-of-the-art index and query technology (FastBit) and is designed to process mas- sive datasets on modern supercomputing platforms. We apply FastQuery to processing ofmore » a massive 50TB dataset generated by a large scale accelerator modeling code. We demonstrate the scalability of the tool to 11,520 cores. Motivated by the scientific need to search for inter- esting particles in this dataset, we use our framework to reduce search time from hours to tens of seconds.« less

Strength and acoustic properties of Ottawa sand containing laboratory-formed methane gas hydrate

USGS Publications Warehouse

Winters, William J.; Waite, William F.; Mason, David H.

2004-01-01

Although gas hydrate occurs in a wide variety of sediment types and is present and even pervasive at some locations on continental margins, little is known about how it forms naturally. Physical properties of the resultant gas hydrate-sediment mixtures, data needed for input into models that predict location and quantity of in situ hydrate are also lacking. Not only do properties of the host materials influence the type and quantity of hydrate formed and whether a particular deposit may be an economic resource or a geohazard, the properties of the natural sediment are also subsequently changed by the formation of gas hydrate in the pore space. The magnitude of the change is primarily related to the amount and the weighted inter-particle distribution of the hydrate deposits in relation to the actual sediment grains. Our goal is to understand the interaction between natural sediments and gas hydrate formation in order to quantify physical properties that are useful to predictive models.

FERMI LAT discovery of extended gamma-ray emissions in the vicinity of the HB 3 supernova remnant

DOE PAGES

Katagiri, H.; Yoshida, K.; Ballet, J.; ...

2016-02-11

We report the discovery of extended gamma-ray emission measured by the Large Area Tele- scope (LAT) onboard the Fermi Gamma-ray Space Telescope in the region of the supernova rem- nant (SNR) HB 3 (G132.7+1.3) and the W3 HII complex adjacent to the southeast of the remnant. W3 is spatially associated with bright 12CO (J=1-0) emission. The gamma-ray emission is spatially correlated with this gas and the SNR. We discuss the possibility that gamma rays originate in inter- actions between particles accelerated in the SNR and interstellar gas or radiation fields. The decay of neutral pions produced in nucleon-nucleon interactions betweenmore » accelerated hadrons and interstellar gas provides a reasonable explanation for the gamma-ray emission. The emission fromW3 is consistent with irradiation of the CO clouds by the cosmic rays accelerated in HB 3.« less

Near-Atomic Resolution Structure of a Plant Geminivirus Determined by Electron Cryomicroscopy.

PubMed

Hipp, Katharina; Grimm, Clemens; Jeske, Holger; Böttcher, Bettina

2017-08-01

African cassava mosaic virus is a whitefly-transmitted geminivirus which forms unique twin particles of incomplete icosahedra that are joined at five-fold vertices, building an unusual waist. How its 22 capsomers interact within a half-capsid or across the waist is unknown thus far. Using electron cryo-microscopy and image processing, we determined the virion structure with a resolution of 4.2 Å and built an atomic model for its capsid protein. The inter-capsomer contacts mediated by the flexible N termini and loop regions differed within the half-capsids and at the waist, explaining partly the unusual twin structure. The tip of the pentameric capsomer is sealed by a plug formed by a turn region harboring the evolutionary conserved residue Y193. Basic amino acid residues inside the capsid form a positively charged pocket next to the five-fold axis of the capsomer suitable for binding DNA. Within this pocket, density most likely corresponding to DNA was resolved. Copyright © 2017 Elsevier Ltd. All rights reserved.

Selfbound quantum droplets

NASA Astrophysics Data System (ADS)

Langen, Tim; Wenzel, Matthias; Schmitt, Matthias; Boettcher, Fabian; Buehner, Carl; Ferrier-Barbut, Igor; Pfau, Tilman

2017-04-01

Self-bound many-body systems are formed through a balance of attractive and repulsive forces and occur in many physical scenarios. Liquid droplets are an example of a self-bound system, formed by a balance of the mutual attractive and repulsive forces that derive from different components of the inter-particle potential. On the basis of the recent finding that an unstable bosonic dipolar gas can be stabilized by a repulsive many-body term, it was predicted that three-dimensional self-bound quantum droplets of magnetic atoms should exist. Here we report on the observation of such droplets using dysprosium atoms, with densities 108 times lower than a helium droplet, in a trap-free levitation field. We find that this dilute magnetic quantum liquid requires a minimum, critical number of atoms, below which the liquid evaporates into an expanding gas as a result of the quantum pressure of the individual constituents. Consequently, around this critical atom number we observe an interaction-driven phase transition between a gas and a self-bound liquid in the quantum degenerate regime with ultracold atoms.

Velocity distributions of granular gases with drag and with long-range interactions.

PubMed

Kohlstedt, K; Snezhko, A; Sapozhnikov, M V; Aranson, I S; Olafsen, J S; Ben-Naim, E

2005-08-05

We study velocity statistics of electrostatically driven granular gases. For two different experiments, (i) nonmagnetic particles in a viscous fluid and (ii) magnetic particles in air, the velocity distribution is non-Maxwellian, and its high-energy tail is exponential, P(upsilon) approximately exp(-/upsilon/). This behavior is consistent with the kinetic theory of driven dissipative particles. For particles immersed in a fluid, viscous damping is responsible for the exponential tail, while for magnetic particles, long-range interactions cause the exponential tail. We conclude that velocity statistics of dissipative gases are sensitive to the fluid environment and to the form of the particle interaction.

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

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.

Integral representation of channel flow with interacting particles

NASA Astrophysics Data System (ADS)

Fouxon, Itzhak; Ge, Zhouyang; Brandt, Luca; Leshansky, Alexander

2017-12-01

We construct a boundary integral representation for the low-Reynolds-number flow in a channel in the presence of freely suspended particles (or droplets) of arbitrary size and shape. We demonstrate that lubrication theory holds away from the particles at horizontal distances exceeding the channel height and derive a multipole expansion of the flow which is dipolar to the leading approximation. We show that the dipole moment of an arbitrary particle is a weighted integral of the stress and the flow at the particle surface, which can be determined numerically. We introduce the equation of motion that describes hydrodynamic interactions between arbitrary, possibly different, distant particles, with interactions determined by the product of the mobility matrix and the dipole moment. Further, the problem of three identical interacting spheres initially aligned in the streamwise direction is considered and the experimentally observed "pair exchange" phenomenon is derived analytically and confirmed numerically. For nonaligned particles, we demonstrate the formation of a configuration with one particle separating from a stable pair. Our results suggest that in a dilute initially homogenous particulate suspension flowing in a channel the particles will eventually separate into singlets and pairs.

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.

Ethyl 2-(4-meth-oxy-phen-yl)-6-oxa-3-aza-bicyclo[3.1.0]hexane-3-carboxyl-ate: crystal structure and Hirshfeld analysis.

PubMed

Zukerman-Schpector, Julio; Sugiyama, Fabricia H; Garcia, Ariel L L; Correia, Carlos Roque D; Jotani, Mukesh M; Tiekink, Edward R T

2017-07-01

The title compound, C 14 H 17 NO 4 , features an epoxide-O atom fused to a pyrrolidyl ring, the latter having an envelope conformation with the N atom being the flap. The 4-meth-oxy-phenyl group is orthogonal to [dihedral angle = 85.02 (6)°] and lies to the opposite side of the five-membered ring to the epoxide O atom, while the N-bound ethyl ester group (r.m.s. deviation of the five fitted atoms = 0.0187 Å) is twisted with respect to the ring [dihedral angle = 17.23 (9)°]. The most prominent inter-actions in the crystal are of the type methine-C-H⋯O(carbon-yl) and these lead to the formation of linear supra-molecular chains along the c axis; weak benzene-C-H⋯O(epoxide) and methine-C-H⋯O(meth-oxy) inter-actions connect these into a three-dimensional architecture. The analysis of the Hirshfeld surface confirms the presence of C-H⋯O inter-actions in the crystal, but also the dominance of H⋯H dispersion contacts.

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.

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.

Finite element meshing approached as a global minimization process

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

WITKOWSKI,WALTER R.; JUNG,JOSEPH; DOHRMANN,CLARK R.

2000-03-01

The ability to generate a suitable finite element mesh in an automatic fashion is becoming the key to being able to automate the entire engineering analysis process. However, placing an all-hexahedron mesh in a general three-dimensional body continues to be an elusive goal. The approach investigated in this research is fundamentally different from any other that is known of by the authors. A physical analogy viewpoint is used to formulate the actual meshing problem which constructs a global mathematical description of the problem. The analogy used was that of minimizing the electrical potential of a system charged particles within amore » charged domain. The particles in the presented analogy represent duals to mesh elements (i.e., quads or hexes). Particle movement is governed by a mathematical functional which accounts for inter-particles repulsive, attractive and alignment forces. This functional is minimized to find the optimal location and orientation of each particle. After the particles are connected a mesh can be easily resolved. The mathematical description for this problem is as easy to formulate in three-dimensions as it is in two- or one-dimensions. The meshing algorithm was developed within CoMeT. It can solve the two-dimensional meshing problem for convex and concave geometries in a purely automated fashion. Investigation of the robustness of the technique has shown a success rate of approximately 99% for the two-dimensional geometries tested. Run times to mesh a 100 element complex geometry were typically in the 10 minute range. Efficiency of the technique is still an issue that needs to be addressed. Performance is an issue that is critical for most engineers generating meshes. It was not for this project. The primary focus of this work was to investigate and evaluate a meshing algorithm/philosophy with efficiency issues being secondary. The algorithm was also extended to mesh three-dimensional geometries. Unfortunately, only simple geometries were tested before this project ended. The primary complexity in the extension was in the connectivity problem formulation. Defining all of the interparticle interactions that occur in three-dimensions and expressing them in mathematical relationships is very difficult.« less

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.

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.

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.

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.

Estimating Colloidal Contact Model Parameters Using Quasi-Static Compression Simulations.

PubMed

Bürger, Vincent; Briesen, Heiko

2016-10-05

For colloidal particles interacting in suspensions, clusters, or gels, contact models should attempt to include all physical phenomena experimentally observed. One critical point when formulating a contact model is to ensure that the interaction parameters can be easily obtained from experiments. Experimental determinations of contact parameters for particles either are based on bulk measurements for simulations on the macroscopic scale or require elaborate setups for obtaining tangential parameters such as using atomic force microscopy. However, on the colloidal scale, a simple method is required to obtain all interaction parameters simultaneously. This work demonstrates that quasi-static compression of a fractal-like particle network provides all the necessary information to obtain particle interaction parameters using a simple spring-based contact model. These springs provide resistances against all degrees of freedom associated with two-particle interactions, and include critical forces or moments where such springs break, indicating a bond-breakage event. A position-based cost function is introduced to show the identifiability of the two-particle contact parameters, and a discrete, nonlinear, and non-gradient-based global optimization method (simplex with simulated annealing, SIMPSA) is used to minimize the cost function calculated from deviations of particle positions. Results show that, in principle, all necessary contact parameters for an arbitrary particle network can be identified, although numerical efficiency as well as experimental noise must be addressed when applying this method. Such an approach lays the groundwork for identifying particle-contact parameters from a position-based particle analysis for a colloidal system using just one experiment. Spring constants also directly influence the time step of the discrete-element method, and a detailed knowledge of all necessary interaction parameters will help to improve the efficiency of colloidal particle simulations.

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

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.

Large area multi-channel plasmonic absorber based on the touching triangular dimers fabricated by angle controlled colloidal nanolithography

NASA Astrophysics Data System (ADS)

Hamidi, S. M.; Behjati, S.

2018-02-01

Here we introduce large area plasmonic touching triangular dimers by angle controlled colloidal nanolithography to use them as an efficient multi channel absorber and also high figure of merit sensors. For this purpose, we coated gold thin films onto nanometric and also micrometric polystyrene hexagonal closed packed masks in different deposition angles and also diverse substrate polar angles. Our prepared samples, after remove masks, show large area touching triangular pattern with different inter particle distances in greater polar angles. To get more sense about optical response of the samples such as transmittance and also electric field distribution, we use finite difference time domain method in simulation part. The transmittance plot shows one narrow or multi-channel adjustable deep depend on inter-particle distances which can be controlled by azimuthally angle in nano lithography process. Also, due to the isoelliptical points in the transmittance spectra; we can see the bright and dark plasmon modes coupling and thus the Fano like resonance takes place in the optical spectral region which is very useful for refractive index measurement.

New Data Products and Tools from STEREO's IMPACT Investigation

NASA Astrophysics Data System (ADS)

Schroeder, P. C.; Luhmann, J. G.; Li, Y.; Huttunen, E.; Toy, V.; Russell, C. T.; Davis, A.

2008-05-01

STEREO's IMPACT (In-situ Measurements of Particles and CME Transients) investigation provides the first opportunity for long duration, detailed observations of 1 AU magnetic field structures, plasma and suprathermal electrons, and energetic particles at points bracketing Earth's heliospheric location. The IMPACT team has developed both human-friendly web portals and API's (application program interfaces) which provide straight- foward data access to scientists and the Virtual Observatories. Several new data products and web features have been developed including the release of more and higher-level data products, a library of TPLOT-based IDL data analysis routines, and web sites devoted to event analysis and inter-mission and inter-disciplinary collaboration. A web browser integrating STEREO and L1 in situ data with imaging and models provides a powerful venue for exploring the Sun-Earth connection. These latest releases enable the larger scientific community to use STEREO's unique in-situ data in novel ways along side "third eye" data sets from Wind, ACE and other heliospheric missions contributing to a better understanding of three dimensional structures in the solar wind.

An overview of subatomic particles for non-physicists.

PubMed

Lederman, Leon M

2007-08-01

The particles used in radiation therapy are part of a larger universe of particles discovered by experimental physicists. May of these particles are themselves composed of particles. Understanding the way particles interact, and the forces underlying their interactions, is basic to the quest to understand the universe. High-energy physics studies in the past have identified the particles used in medicine; future studies may identify still others, but if not, may contribute to a better knowledge of the milieu in which medicine and other human endeavors exist.

How half-coated janus particles enter cells.

PubMed

Gao, Yuan; Yu, Yan

2013-12-26

Janus particles possess functional asymmetry and directionality within a single entity and thus are predicted to enable many promising biomedical applications that are not offered by homogeneous particles. However, it remains elusive what role the Janus principle plays in Janus particle-cell interactions, particularly in cellular uptake. We studied how asymmetric distribution of ligands on half-coated Janus microparticles dictates the membrane dynamics during receptor-mediated particle uptake, and found key differences from those characteristic of homogeneous particles. Live-cell fluorescence imaging combined with single-particle level quantification of particle-cell membrane interactions shows that the asymmetric distribution of ligands leads to a three-step endocytic process: membrane cup formation on the ligand-coated hemisphere, stalling at the Janus interface, and rapid membrane protrusion on the ligand-absent hemisphere to complete the particle engulfment. The direct correlation between the spatial presentation of ligands on Janus particles and the temporal changes of membrane dynamics revealed in this work elucidates the potential of using the Janus principle to fine-tune particle-cell interactions.

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.

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.

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.

Interactive Terascale Particle Visualization

NASA Technical Reports Server (NTRS)

Ellsworth, David; Green, Bryan; Moran, Patrick

2004-01-01

This paper describes the methods used to produce an interactive visualization of a 2 TB computational fluid dynamics (CFD) data set using particle tracing (streaklines). We use the method introduced by Bruckschen et al. [2001] that pre-computes a large number of particles, stores them on disk using a space-filling curve ordering that minimizes seeks, and then retrieves and displays the particles according to the user's command. We describe how the particle computation can be performed using a PC cluster, how the algorithm can be adapted to work with a multi-block curvilinear mesh, and how the out-of-core visualization can be scaled to 296 billion particles while still achieving interactive performance on PG hardware. Compared to the earlier work, our data set size and total number of particles are an order of magnitude larger. We also describe a new compression technique that allows the lossless compression of the particles by 41% and speeds the particle retrieval by about 30%.

Lieb-Thirring inequality for a model of particles with point interactions

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

Frank, Rupert L.; Seiringer, Robert

2012-09-15

We consider a model of quantum-mechanical particles interacting via point interactions of infinite scattering length. In the case of fermions we prove a Lieb-Thirring inequality for the energy, i.e., we show that the energy is bounded from below by a constant times the integral of the particle density to the power (5/3).

Inter-conversion of Work and Heat With Plasma Electric Fields

NASA Astrophysics Data System (ADS)

Avinash, K.

2010-11-01

Thermodynamics of a model system where a group of cold charged particles locally confined in a volume VP within a warm plasma of temperature T and fixed volume V (VP<

Narrow Escape of Interacting Diffusing Particles

NASA Astrophysics Data System (ADS)

Agranov, Tal; Meerson, Baruch

2018-03-01

The narrow escape problem deals with the calculation of the mean escape time (MET) of a Brownian particle from a bounded domain through a small hole on the domain's boundary. Here we develop a formalism which allows us to evaluate the nonescape probability of a gas of diffusing particles that may interact with each other. In some cases the nonescape probability allows us to evaluate the MET of the first particle. The formalism is based on the fluctuating hydrodynamics and the recently developed macroscopic fluctuation theory. We also uncover an unexpected connection between the narrow escape of interacting particles and thermal runaway in chemical reactors.

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.

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).

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.

Using robots to help people habituate to visible disabilities.

PubMed

Riek, Laurel D; Robinson, Peter

2011-01-01

We explore a new way of using robots as human-human social facilitators: inter-ability communication. This refers to communication between people with disabilities and those without disabilities. We have interviewed people with head and facial movement disorders (n = 4), and, using a vision-based approach, recreated their movements on our 27 degree-of-freedom android robot. We then conducted an exploratory experiment (n = 26) to see if the robot might serve as a suitable tool to allow people to practice inter-ability interaction on a robot before doing it with a person. Our results suggest a robot may be useful in this manner. Furthermore, we have found a significant relationship between people who hold negative attitudes toward robots and negative attitudes toward people with disabilities. © 2011 IEEE