Denuder/filter sampling of organic acids and organosulfates at urban and boreal forest sites: Gas/particle distribution and possible sampling artifacts

NASA Astrophysics Data System (ADS)

Kristensen, Kasper; Bilde, Merete; Aalto, Pasi P.; Petäjä, Tuukka; Glasius, Marianne

2016-04-01

Carboxylic acids and organosulfates comprise an important fraction of atmospheric secondary organic aerosols formed from both anthropogenic and biogenic precursors. The partitioning of these compounds between the gas and particle phase is still unclear and further research is warranted to better understand the abundance and effect of organic acids and organosulfates on the formation and properties of atmospheric aerosols. This work compares atmospheric aerosols collected at an urban and a boreal forest site using two side-by-side sampling systems; a high volume sampler (HVS) and a low volume (LVS) denuder/filter sampling system allowing for separate collection of gas- and particle-phase organics. All particle filters and denuder samples were collected at H.C. Andersen Boulevard (HCAB), Copenhagen, Denmark in the summer of 2010, and at the remote boreal forest site at Hyytiälä forestry field station in Finland in the summer of 2012. The chemical composition of gas- and particle-phase secondary organic aerosol was investigated by ultra-high performance liquid chromatography/electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC/ESI-Q-TOFMS), with a focus on carboxylic acids and organosulfates. Results show gas-phase concentrations higher than those observed in the particle phase by a factor of 5-6 in HCAB 2010 and 50-80 in Hyytiälä 2012. Although abundant in the particle phase, no organosulfates were detected in the gas phase at either site. Through a comparison of samples collected by the HVS and the LVS denuder/filter sampling system we evaluate the potential artifacts associated with sampling of atmospheric aerosols. Such comparison shows that particle phase concentrations of semi-volatile organic acids obtained from the filters collected by HVS are more than two times higher than concentrations obtained from filters collected using LVS denuder/filter system. In most cases, higher concentrations of organosulfates are observed in particles collected by HVS compared to samples collected by LVS denuder/filter sampling system. The present study shows that volatile organics may absorb onto filter materials in the HVS (and similar sampling systems without denuder) and furthermore undergo subsequent on-filter oxidation and sulfation resulting in formation of both organic acids and organosulfates.

Composition inversion in mixtures of binary colloids and polymer

NASA Astrophysics Data System (ADS)

Zhang, Isla; Pinchaipat, Rattachai; Wilding, Nigel B.; Faers, Malcolm A.; Bartlett, Paul; Evans, Robert; Royall, C. Patrick

2018-05-01

Understanding the phase behaviour of mixtures continues to pose challenges, even for systems that might be considered "simple." Here, we consider a very simple mixture of two colloidal and one non-adsorbing polymer species, which can be simplified even further to a size-asymmetrical binary mixture, in which the effective colloid-colloid interactions depend on the polymer concentration. We show that this basic system exhibits surprisingly rich phase behaviour. In particular, we enquire whether such a system features only a liquid-vapor phase separation (as in one-component colloid-polymer mixtures) or whether, additionally, liquid-liquid demixing of two colloidal phases can occur. Particle-resolved experiments show demixing-like behaviour, but when combined with bespoke Monte Carlo simulations, this proves illusory, and we reveal that only a single liquid-vapor transition occurs. Progressive migration of the small particles to the liquid phase as the polymer concentration increases gives rise to composition inversion—a maximum in the large particle concentration in the liquid phase. Close to criticality, the density fluctuations are found to be dominated by the larger colloids.

Statistical properties of swarms of self-propelled particles with repulsions across the order-disorder transition

NASA Astrophysics Data System (ADS)

Romenskyy, Maksym; Lobaskin, Vladimir

2013-03-01

We study dynamic self-organisation and order-disorder transitions in a two-dimensional system of self-propelled particles. Our model is a variation of the Vicsek model, where particles align the motion to their neighbours but repel each other at short distances. We use computer simulations to measure the orientational order parameter for particle velocities as a function of intensity of internal noise or particle density. We show that in addition to the transition to an ordered state on increasing the particle density, as reported previously, there exists a transition into a disordered phase at the higher densities, which can be attributed to the destructive action of the repulsions. We demonstrate that the transition into the ordered phase is accompanied by the onset of algebraic behaviour of the two-point velocity correlation function and by a non-monotonous variation of the velocity relaxation time. The critical exponent for the decay of the velocity correlation function in the ordered phase depends on particle concentration at low densities but assumes a universal value in more dense systems.

Reconciling phase diffusion and Hartree-Fock approximation in condensate systems

NASA Astrophysics Data System (ADS)

Giorgi, Gian Luca; de Pasquale, Ferdinando

2012-01-01

Despite the weakly interacting regime, the physics of Bose-Einstein condensates is widely affected by particle-particle interactions. They determine quantum phase diffusion, which is known to be the main cause of loss of coherence. Studying a simple model of two interacting Bose systems, we show how to predict the appearance of phase diffusion beyond the Bogoliubov approximation, providing a self-consistent treatment in the framework of a generalized Hartree-Fock-Bogoliubov perturbation theory.

Thermodynamic analysis of a thermal storage unit under the influence of nano-particles added to the phase change material and/or the working fluid

NASA Astrophysics Data System (ADS)

Abolghasemi, Mehran; Keshavarz, Ali; Mehrabian, Mozaffar Ali

2012-11-01

The thermal storage unit consists of two concentric cylinders where the working fluid flows through the internal cylinder and the annulus is filled with a phase change material. The system carries out a cyclic operation; each cycle consists of two processes. In the charging process the hot working fluid enters the internal cylinder and transfers heat to the phase change material. In the discharging process the cold working fluid enters the internal cylinder and absorbs heat from the phase change material. The differential equations governing the heat transfer between the two media are solved numerically. The numerical results are compared with the experimental results available in the literature. The performance of an energy storage unit is directly related to the thermal conductivity of nano-particles. The energy consumption of a residential unit whose energy is supplied by a thermal storage system can be reduced by 43 % when using nano-particles.

Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures

NASA Astrophysics Data System (ADS)

Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-04-01

The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations, the viscous KA system crystallizes, however, by phase separating into a pure A particle phase forming a fcc crystal. We present the thermodynamic phase diagram for KA-type mixtures consisting of up to 50% small (B ) particles showing, in particular, that the melting temperature of the standard KA system at liquid density 1.2 is 1.028(3) in A particle Lennard-Jones units. At large B particle concentrations, the system crystallizes into the CsCl crystal structure. The eutectic corresponding to the fcc and CsCl structures is cutoff in a narrow interval of B particle concentrations around 26% at which the bipyramidal orthorhombic PuBr3 structure is the thermodynamically stable phase. The melting temperature's variation with B particle concentration at two constant pressures, as well as at the constant density 1.2, is estimated from simulations at pressure 10.19 using isomorph theory. Our data demonstrate approximate identity between the melting temperature and the onset temperature below which viscous dynamics appears. Finally, the nature of the solid-liquid interface is briefly discussed.

Modeling the Capillary Pressure for the Migration of the Liquid Phase in Granular Solid-Liquid-Vapor Systems: Application to the Control of the Composition Profile in W-Cu FGM Materials

NASA Astrophysics Data System (ADS)

Missiaen, Jean-Michel; Raharijaona, Jean-Joël; Delannay, Francis

2016-11-01

A model is developed to compute the capillary pressure for the migration of the liquid phase out or into a uniform solid-liquid-vapor system. The capillary pressure is defined as the reduction of the overall interface energy per volume increment of the transferred fluid phase. The model takes into account the particle size of the solid particle aggregate, the packing configuration (coordination number, porosity), the volume fractions of the different phases, and the values of the interface energies in the system. The model is used for analyzing the stability of the composition profile during processing of W-Cu functionally graded materials combining a composition gradient with a particle size gradient. The migration pressure is computed with the model in two stages: (1) just after the melting of copper, i.e., when sintering and shape accommodation of the W particle aggregate can still be neglected and (2) at high temperature, when the system is close to full density with equilibrium particle shape. The model predicts well the different stages of liquid-phase migration observed experimentally.

Phase behavior of charged colloids at a fluid interface

NASA Astrophysics Data System (ADS)

Kelleher, Colm P.; Guerra, Rodrigo E.; Hollingsworth, Andrew D.; Chaikin, Paul M.

2017-02-01

We study the phase behavior of a system of charged colloidal particles that are electrostatically bound to an almost flat interface between two fluids. We show that, despite the fact that our experimental system consists of only 103-104 particles, the phase behavior is consistent with the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson, and Young. Using spatial and temporal correlations of the bond-orientational order parameter, we classify our samples into solid, isotropic fluid, and hexatic phases. We demonstrate that the topological defect structure we observe in each phase corresponds to the predictions of Kosterlitz-Thouless-Halperin-Nelson-Young theory. By measuring the dynamic Lindemann parameter γL(τ ) and the non-Gaussian parameter α2(τ ) of the displacements of the particles relative to their neighbors, we show that each of the phases displays distinctive dynamical behavior.

The pdf approach to turbulent polydispersed two-phase flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Peirano, Eric

2001-10-01

The purpose of this paper is to develop a probabilistic approach to turbulent polydispersed two-phase flows. The two-phase flows considered are composed of a continuous phase, which is a turbulent fluid, and a dispersed phase, which represents an ensemble of discrete particles (solid particles, droplets or bubbles). Gathering the difficulties of turbulent flows and of particle motion, the challenge is to work out a general modelling approach that meets three requirements: to treat accurately the physically relevant phenomena, to provide enough information to address issues of complex physics (combustion, polydispersed particle flows, …) and to remain tractable for general non-homogeneous flows. The present probabilistic approach models the statistical dynamics of the system and consists in simulating the joint probability density function (pdf) of a number of fluid and discrete particle properties. A new point is that both the fluid and the particles are included in the pdf description. The derivation of the joint pdf model for the fluid and for the discrete particles is worked out in several steps. The mathematical properties of stochastic processes are first recalled. The various hierarchies of pdf descriptions are detailed and the physical principles that are used in the construction of the models are explained. The Lagrangian one-particle probabilistic description is developed first for the fluid alone, then for the discrete particles and finally for the joint fluid and particle turbulent systems. In the case of the probabilistic description for the fluid alone or for the discrete particles alone, numerical computations are presented and discussed to illustrate how the method works in practice and the kind of information that can be extracted from it. Comments on the current modelling state and propositions for future investigations which try to link the present work with other ideas in physics are made at the end of the paper.

Integration of carboxyl modified magnetic particles and aqueous two-phase extraction for selective separation of proteins.

PubMed

Gai, Qingqing; Qu, Feng; Zhang, Tao; Zhang, Yukui

2011-07-15

Both of the magnetic particle adsorption and aqueous two-phase extraction (ATPE) were simple, fast and low-cost method for protein separation. Selective proteins adsorption by carboxyl modified magnetic particles was investigated according to protein isoelectric point, solution pH and ionic strength. Aqueous two-phase system of PEG/sulphate exhibited selective separation and extraction for proteins before and after magnetic adsorption. The two combination ways, magnetic adsorption followed by ATPE and ATPE followed by magnetic adsorption, for the separation of proteins mixture of lysozyme, bovine serum albumin, trypsin, cytochrome C and myloglobin were discussed and compared. The way of magnetic adsorption followed by ATPE was also applied to human serum separation. Copyright © 2011 Elsevier B.V. All rights reserved.

Stochastic driven systems far from equilibrium

NASA Astrophysics Data System (ADS)

Kim, Kyung Hyuk

We study the dynamics and steady states of two systems far from equilibrium: a 1-D driven lattice gas and a driven Brownian particle with inertia. (1) We investigate the dynamical scaling behavior of a 1-D driven lattice gas model with two species of particles hopping in opposite directions. We confirm numerically that the dynamic exponent is equal to z = 1.5. We show analytically that a quasi-particle representation relates all phase points to a special phase line directly related to the single-species asymmetric simple exclusion process. Quasi-particle two-point correlations decay exponentially, and in such a manner that quasi-particles of opposite charge dynamically screen each other with a special balance. The balance encompasses all over the phase space. These results indicate that the model belongs to the Kardar-Parisi-Zhang (KPZ) universality class. (2) We investigate the non-equilibrium thermodynamics of a Brownian particle with inertia under feedback control of its inertia. We find such open systems can act as a molecular refrigerator due to an entropy pumping mechanism. We extend the fluctuation theorems to the refrigerator. The entropy pumping modifies both the Jarzynski equality and the fluctuation theorems. We discover that the entropy pumping has a dual role of work and heat. We also investigate the thermodynamics of the particle under a hydrodynamic interaction described by a Langevin equation with a multiplicative noise. The Stratonovich stochastic integration prescription involved in the definition of heat is shown to be the unique physical choice.

Soft particles at fluid interfaces: wetting, structure, and rheology

NASA Astrophysics Data System (ADS)

Isa, Lucio

Most of our current knowledge concerning the behavior of colloidal particles at fluid interfaces is limited to model spherical, hard and uniform objects. Introducing additional complexity, in terms of shape, composition or surface chemistry or by introducing particle softness, opens up a vast range of possibilities to address new fundamental and applied questions in soft matter systems at fluid interfaces. In this talk I will focus on the role of particle softness, taking the case of core-shell microgels as a paradigmatic example. Microgels are highly swollen and cross-linked hydrogel particles that, in parallel with their practical applications, e.g. for emulsion stabilization and surface patterning, are increasingly used as model systems to capture fundamental properties of bulk materials. Most microgel particles develop a core-shell morphology during synthesis, with a more cross-linked core surrounded by a corona of loosely linked and dangling polymer chains. I will first discuss the difference between the wetting of a hard spherical colloid and a core-shell microgel at an oil-water interface, pinpointing the interplay between adsorption at the interface and particle deformation. I will then move on to discuss the interplay between particle morphology and the microstructure and rheological properties of the interface. In particular, I will demonstrate that synchronizing the compression of a core-shell microgel-laden fluid interface with the deposition of the interfacial monolayer makes it possible to transfer the 2D phase diagram of the particles onto a solid substrate, where different positions correspond to different values of the surface pressure and the specific area. Using atomic force microscopy, we analyzed the microstructure of the monolayer and discovered a phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases correspond to shell-shell or core-core inter-particle contacts, respectively, where with increasing surface pressure the former mechanically fail enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore extended our analysis to measure the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer; the interfaces always show a strong elastic response, with a dip in the elastic modulus in correspondence of the melting of the shell-shell phase, followed by a steep increase upon formation of a percolating network of the core-core contacts. The presented results highlight the complex interplay between the wetting and deformation of individual soft particles at fluid interfaces and the overall interface microstructure and mechanics. They show strong connections to fundamental studies on phase transitions in two-dimensional systems and pave the way for novel nanoscale surface patterning routes. The author acknowledges financial support from the Swiss National Science Foundation Grant PP00P2-144646/1.

Numerical Treatment of the Boltzmann Equation for Self-Propelled Particle Systems

NASA Astrophysics Data System (ADS)

Thüroff, Florian; Weber, Christoph A.; Frey, Erwin

2014-10-01

Kinetic theories constitute one of the most promising tools to decipher the characteristic spatiotemporal dynamics in systems of actively propelled particles. In this context, the Boltzmann equation plays a pivotal role, since it provides a natural translation between a particle-level description of the system's dynamics and the corresponding hydrodynamic fields. Yet, the intricate mathematical structure of the Boltzmann equation substantially limits the progress toward a full understanding of this equation by solely analytical means. Here, we propose a general framework to numerically solve the Boltzmann equation for self-propelled particle systems in two spatial dimensions and with arbitrary boundary conditions. We discuss potential applications of this numerical framework to active matter systems and use the algorithm to give a detailed analysis to a model system of self-propelled particles with polar interactions. In accordance with previous studies, we find that spatially homogeneous isotropic and broken-symmetry states populate two distinct regions in parameter space, which are separated by a narrow region of spatially inhomogeneous, density-segregated moving patterns. We find clear evidence that these three regions in parameter space are connected by first-order phase transitions and that the transition between the spatially homogeneous isotropic and polar ordered phases bears striking similarities to liquid-gas phase transitions in equilibrium systems. Within the density-segregated parameter regime, we find a novel stable limit-cycle solution of the Boltzmann equation, which consists of parallel lanes of polar clusters moving in opposite directions, so as to render the overall symmetry of the system's ordered state nematic, despite purely polar interactions on the level of single particles.

On safe configurations of a natural-artificial space tether system

NASA Astrophysics Data System (ADS)

Rodnikov, A. V.

2018-05-01

We study the dynamics of a particle moving under gravitation of precessing dynamically symmetric rigid body if the particle motion is restricted by two unilateral (flexible) constraints realized by two weightless unstretchable tethers with ends fixed at body poles, formed as the intersection of the body surface with the axis of its dynamical symmetry. The system under consideration is a simple model of an original natural-artificial space construction consisting of an asteroid and a space station tethered to each other via two cables. We note that the problem is integrable for the system safe configurations, i.e. for motions along the constraints common boundary (both tethers are tensed) if the body gravitational potential is invariant with respect to rotation about the axis of dynamical symmetry. We study these motions depicting phase portraits for possible values of system parameters. We also deduce conditions for the particle coming off the boundary of constraint(s) (if the tether(s) are slackened) and analyze these conditions, eliminating corresponding areas from phase portraits. We also formulate some statements, concerning the particle safety.

Observations and implications of liquid–liquid phase separation at high relative humidities in secondary organic material produced by α-pinene ozonolysis without inorganic salts

DOE PAGES

Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia; ...

2016-07-01

Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. In order to predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. Our paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from < 0.5 to 100%. In the laboratory studies, a single phase was observed frommore » 0 to 95% relative humidity (RH) while two liquid phases were observed above 95% RH. For increasing RH, the mechanism of liquid–liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). Furthermore, the work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the particles are water rich.« less

Scaling of Tripartite Entanglement at Impurity Quantum Phase Transitions.

PubMed

Bayat, Abolfazl

2017-01-20

The emergence of a diverging length scale in many-body systems at a quantum phase transition implies that total entanglement has to reach its maximum there. In order to fully characterize this, one has to consider multipartite entanglement as, for instance, bipartite entanglement between individual particles fails to signal this effect. However, quantification of multipartite entanglement is very hard, and detecting it may not be possible due to the lack of accessibility to all individual particles. For these reasons it will be more sensible to partition the system into relevant subsystems, each containing a few to many spins, and study entanglement between those constituents as a coarse-grain picture of multipartite entanglement between individual particles. In impurity systems, famously exemplified by two-impurity and two-channel Kondo models, it is natural to divide the system into three parts, namely, impurities and the left and right bulks. By exploiting two tripartite entanglement measures, based on negativity, we show that at impurity quantum phase transitions the tripartite entanglement diverges and shows scaling behavior. While the critical exponents are different for each tripartite entanglement measure, they both provide very similar critical exponents for the two-impurity and the two-channel Kondo models, suggesting that they belong to the same universality class.

An investigation into the flow behavior of a single phase gas system and a two phase gas/liquid system in normal gravity with nonuniform heating from above

NASA Technical Reports Server (NTRS)

Disimile, Peter J.; Heist, Timothy J.

1990-01-01

The fluid behavior in normal gravity of a single phase gas system and a two phase gas/liquid system in an enclosed circular cylinder heated suddenly and nonuniformly from above was investigated. Flow visualization was used to obtain qualitative data on both systems. The use of thermochromatic liquid crystal particles as liquid phase flow tracers was evaluated as a possible means of simultaneously gathering both flow pattern and temperature gradient data for the two phase system. The results of the flow visualization experiments performed on both systems can be used to gain a better understanding of the behavior of such systems in a reduced gravity environment and aid in the verification of a numerical model of the system.

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

Renbaum-Wolff, Lindsay; Song, Mijung; Marcolli, Claudia

Particles consisting of secondary organic material (SOM) are abundant in the atmosphere. In order to predict the role of these particles in climate, visibility and atmospheric chemistry, information on particle phase state (i.e., single liquid, two liquids and solid) is needed. Our paper focuses on the phase state of SOM particles free of inorganic salts produced by the ozonolysis of α-pinene. Phase transitions were investigated in the laboratory using optical microscopy and theoretically using a thermodynamic model at 290 K and for relative humidities ranging from < 0.5 to 100%. In the laboratory studies, a single phase was observed frommore » 0 to 95% relative humidity (RH) while two liquid phases were observed above 95% RH. For increasing RH, the mechanism of liquid–liquid phase separation (LLPS) was spinodal decomposition. The RH range over which two liquid phases were observed did not depend on the direction of RH change. In the modeling studies, the SOM took up very little water and was a single organic-rich phase at low RH values. At high RH, the SOM underwent LLPS to form an organic-rich phase and a water-rich phase, consistent with the laboratory studies. The presence of LLPS at high RH values can have consequences for the cloud condensation nuclei (CCN) activity of SOM particles. In the simulated Köhler curves for SOM particles, two local maxima were observed. Depending on the composition of the SOM, the first or second maximum can determine the critical supersaturation for activation. Recently researchers have observed inconsistencies between measured CCN properties of SOM particles and hygroscopic growth measured below water saturation (i.e., hygroscopic parameters measured below water saturation were inconsistent with hygroscopic parameters measured above water saturation). Furthermore, the work presented here illustrates that such inconsistencies are expected for systems with LLPS when the water uptake at subsaturated conditions represents the hygroscopicity of an organic-rich phase while the barrier for CCN activation can be determined by the second maximum in the Köhler curve when the particles are water rich.« less

Effect of settling particles on the stability of a particle-laden flow in a vertical plane channel

NASA Astrophysics Data System (ADS)

Boronin, S. A.; Osiptsov, A. N.

2018-03-01

The stability of a viscous particle-laden flow in a vertical plane channel in the presence of the gravity force is studied. The flow is described using a two-fluid "dusty-gas" model with negligibly small volume fraction of fines and two-way coupling of the phases. Two different profiles of the particle number density in the main flow are considered: homogeneous and non-homogeneous in the form of two layers symmetric about the channel axis. The novel element of the linear-stability problem formulation is a particle velocity slip in the main flow caused by the gravity-induced settling of the dispersed phase. The eigenvalue problem for a linearized system of governing equations is solved using the orthonormalization and QZ algorithms. For a uniform particle number density distribution, it is found that there exists a domain in the plane of Froude and Stokes numbers, in which the two-phase flow in a vertical channel is stable for an arbitrary Reynolds number. This stability domain corresponds to relatively small-inertia particles and large velocity-slip in the main flow. In contrast to the flow with a uniform particle number density distribution, the stratified dusty-gas flow in a vertical channel is unstable over a wide range of governing parameters. The instability at small Reynolds numbers is determined by the gravitational mode characterized by small wavenumbers (long-wave instability), while at larger Reynolds numbers the instability is dominated by the shear mode with the time-amplification factor larger than that of the gravitational mode. The results of the study can be used for optimization of a large number of technological processes, including those in riser reactors, pneumatic conveying in pipeline systems, hydraulic fracturing, and well cementing.

Quantum phases for point-like charged particles and for electrically neutral dipoles in an electromagnetic field

NASA Astrophysics Data System (ADS)

Kholmetskii, A. L.; Missevitch, O. V.; Yarman, T.

2018-05-01

We point out that the known quantum phases for an electric/magnetic dipole moving in an electromagnetic (EM) field must be presented as the superposition of more fundamental quantum phases emerging for elementary charges. Using this idea, we find two new fundamental quantum phases for point-like charges, next to the known electric and magnetic Aharonov-Bohm (A-B) phases, named by us as the complementary electric and magnetic phases, correspondingly. We further demonstrate that these new phases can indeed be derived via the Schrödinger equation for a particle in an EM field, where however the operator of momentum is re-defined via the replacement of the canonical momentum of particle by the sum of its mechanical momentum and interactional field momentum for a system "charged particle and a macroscopic source of EM field". The implications of the obtained results are discussed.

Phase-space quantum mechanics study of two identical particles in an external oscillatory potential

NASA Technical Reports Server (NTRS)

Nieto, Luis M.; Gadella, Manuel

1993-01-01

This simple example is used to show how the formalism of Moyal works when it is applied to systems of identical particles. The symmetric and antisymmetric Moyal propagators are evaluated for this case; from them, the correct energy levels of energy are obtained, as well as the Wigner functions for the symmetric and antisymmetric states of the two identical particle system. Finally, the solution of the Bloch equation is straightforwardly obtained from the expressions of the Moyal propagators.

Particle Size Measurements From the First Fundamentals of Ice Crystal Icing Physics Test in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

King, Michael C.; Bachalo, William; Kurek, Andrzej

2017-01-01

This paper presents particle measurements by the Artium Technologies, Inc. Phase Doppler Interferometer and High Speed Imaging instruments from the first Fundamental Ice Crystal Icing Physics test conducted in the NASA Propulsion Systems Laboratory. The work focuses on humidity sweeps at a larger and a smaller median volumetric diameter. The particle size distribution, number density, and water content measured by the Phase Doppler Interferometer and High Speed Imaging instruments from the sweeps are presented and compared. The current capability for these two instruments to measure and discriminate ICI conditions is examined.

Particle Size Measurements from the first Fundamentals of Ice Crystal Icing Physics Test in the NASA Propulsion Systems Laboratory

NASA Technical Reports Server (NTRS)

King, Michael C.; Bachalo, William; Kurek, Andrzej

2017-01-01

This presentation shows particle measurements by the Artium Technologies, Inc. Phase Doppler Interferometer and High Speed Imaging instruments from the first Fundamental Ice Crystal Icing Physics test conducted in the NASA Propulsion Systems Laboratory. The work focuses on humidity sweeps at a larger and a smaller median volumetric diameter. The particle size distribution, number density, and water content measured by the Phase Doppler Interferometer and High Speed Imaging instruments from the sweeps are presented and compared. The current capability for these two instruments to measure and discriminate ICI conditions is examined.

Composition, morphology, and growth of clusters in a gas of particles with random interactions

NASA Astrophysics Data System (ADS)

Azizi, Itay; Rabin, Yitzhak

2018-03-01

We use Langevin dynamics simulations to study the growth kinetics and the steady-state properties of condensed clusters in a dilute two-dimensional system of particles that are all different (APD) in the sense that each particle is characterized by a randomly chosen interaction parameter. The growth exponents, the transition temperatures, and the steady-state properties of the clusters and of the surrounding gas phase are obtained and compared with those of one-component systems. We investigate the fractionation phenomenon, i.e., how particles of different identities are distributed between the coexisting mother (gas) and daughter (clusters) phases. We study the local organization of particles inside clusters, according to their identity—neighbourhood identity ordering (NIO)—and compare the results with those of previous studies of NIO in dense APD systems.

Shape and Symmetry Determine Two-Dimensional Melting Transitions of Hard Regular Polygons

NASA Astrophysics Data System (ADS)

Anderson, Joshua A.; Antonaglia, James; Millan, Jaime A.; Engel, Michael; Glotzer, Sharon C.

2017-04-01

The melting transition of two-dimensional systems is a fundamental problem in condensed matter and statistical physics that has advanced significantly through the application of computational resources and algorithms. Two-dimensional systems present the opportunity for novel phases and phase transition scenarios not observed in 3D systems, but these phases depend sensitively on the system and, thus, predicting how any given 2D system will behave remains a challenge. Here, we report a comprehensive simulation study of the phase behavior near the melting transition of all hard regular polygons with 3 ≤n ≤14 vertices using massively parallel Monte Carlo simulations of up to 1 ×106 particles. By investigating this family of shapes, we show that the melting transition depends upon both particle shape and symmetry considerations, which together can predict which of three different melting scenarios will occur for a given n . We show that systems of polygons with as few as seven edges behave like hard disks; they melt continuously from a solid to a hexatic fluid and then undergo a first-order transition from the hexatic phase to the isotropic fluid phase. We show that this behavior, which holds for all 7 ≤n ≤14 , arises from weak entropic forces among the particles. Strong directional entropic forces align polygons with fewer than seven edges and impose local order in the fluid. These forces can enhance or suppress the discontinuous character of the transition depending on whether the local order in the fluid is compatible with the local order in the solid. As a result, systems of triangles, squares, and hexagons exhibit a Kosterlitz-Thouless-Halperin-Nelson-Young (KTHNY) predicted continuous transition between isotropic fluid and triatic, tetratic, and hexatic phases, respectively, and a continuous transition from the appropriate x -atic to the solid. In particular, we find that systems of hexagons display continuous two-step KTHNY melting. In contrast, due to symmetry incompatibility between the ordered fluid and solid, systems of pentagons and plane-filling fourfold pentilles display a one-step first-order melting of the solid to the isotropic fluid with no intermediate phase.

Application of partition technology to particle electrophoresis

NASA Technical Reports Server (NTRS)

Van Alstine, James M.; Harris, J. Milton; Karr, Laurel J.; Bamberger, Stephan; Matsos, Helen C.; Snyder, Robert S.

1989-01-01

The effects of polymer-ligand concentration on particle electrophoretic mobility and partition in aqueous polymer two-phase systems are investigated. Polymer coating chemistry and affinity ligand synthesis, purification, and analysis are conducted. It is observed that poly (ethylene glycol)-ligands are effective for controlling particle electrophoretic mobility.

DSMC simulation of two-phase plume flow with UV radiation

NASA Astrophysics Data System (ADS)

Li, Jie; Liu, Ying; Wang, Ning; Jin, Ling

2014-12-01

Rarefied gas-particle two-phase plume in which the phase of particles is liquid or solid flows from a solid propellant rocket of hypersonic vehicle flying at high altitudes, the aluminum oxide particulates not only impact the rarefied gas flow properties, but also make a great difference to plume radiation signature, so the radiation prediction of the rarefied gas-particle two-phase plume flow is very important for space target detection of hypersonic vehicles. Accordingly, this project aims to study the rarefied gas-particle two-phase flow and ultraviolet radiation (UV) characteristics. Considering a two-way interphase coupling of momentum and energy, the direct simulation Monte Carlo (DSMC) method is developed for particle phase change and the particle flow, including particulate collision, coalescence as well as separation, and a Monte Carlo ray trace model is implemented for the particulate UV radiation. A program for the numerical simulation of the gas-particle two-phase flow and radiation in which the gas flow nonequilibrium is strong is implemented as well. Ultraviolet radiation characteristics of the particle phase is studied based on the calculation of the flow field coupled with the radiation calculation, the radiation model for different size particles is analyzed, focusing on the effects of particle emission, absorption, scattering as well as the searchlight emission of the nozzle. A new approach may be proposed to describe the rarefied gas-particle two-phase plume flow and radiation transfer characteristics in this project.

Binary nanoparticle superlattices of soft-particle systems

DOE PAGES

Travesset, Alex

2015-08-04

The solid-phase diagram of binary systems consisting of particles of diameter σ A=σ and σ B=γσ (γ≤1) interacting with an inverse p = 12 power law is investigated as a paradigm of a soft potential. In addition to the diameter ratio γ that characterizes hard-sphere models, the phase diagram is a function of an additional parameter that controls the relative interaction strength between the different particle types. Phase diagrams are determined from extremes of thermodynamic functions by considering 15 candidate lattices. In general, it is shown that the phase diagram of a soft repulsive potential leads to the morphological diversitymore » observed in experiments with binary nanoparticles, thus providing a general framework to understand their phase diagrams. In addition, particular emphasis is shown to the two most successful crystallization strategies so far: evaporation of solvent from nanoparticles with grafted hydrocarbon ligands and DNA programmable self-assembly.« less

Planar particle/droplet size measurement technique using digital particle image velocimetry image data

NASA Technical Reports Server (NTRS)

Kadambi, Jaikrishnan R. (Inventor); Wernet, Mark P. (Inventor); Mielke, Amy F. (Inventor)

2005-01-01

A method for determining a mass flux of an entrained phase in a planar two-phase flow records images of particles in the two-phase flow. Respective sizes of the particles (the entrained phase) are determined as a function of a separation between spots identified on the particle images. Respective velocities of the particles are determined. The mass flux of the entrained phase is determined as a function of the size and velocity of the particles.

Phase Transitions in Model Active Systems

NASA Astrophysics Data System (ADS)

Redner, Gabriel S.

The amazing collective behaviors of active systems such as bird flocks, schools of fish, and colonies of microorganisms have long amazed scientists and laypeople alike. Understanding the physics of such systems is challenging due to their far-from-equilibrium dynamics, as well as the extreme diversity in their ingredients, relevant time- and length-scales, and emergent phenomenology. To make progress, one can categorize active systems by the symmetries of their constituent particles, as well as how activity is expressed. In this work, we examine two categories of active systems, and explore their phase behavior in detail. First, we study systems of self-propelled spherical particles moving in two dimensions. Despite the absence of an aligning interaction, this system displays complex emergent dynamics, including phase separation into a dense active solid and dilute gas. Using simulations and analytic modeling, we quantify the phase diagram and separation kinetics. We show that this nonequilibrium phase transition is analogous to an equilibrium vapor-liquid system, with binodal and spinodal curves and a critical point. We also characterize the dense active solid phase, a unique material which exhibits the structural signatures of a crystalline solid near the crystal-hexatic transition point, as well as anomalous dynamics including superdiffusive motion on intermediate timescales. We also explore the role of interparticle attraction in this system. We demonstrate that attraction drastically changes the phase diagram, which contains two distinct phase-separated regions and is reentrant as a function of propulsion speed. We interpret this complex situation with a simple kinetic model, which builds from the observed microdynamics of individual particles to a full description of the macroscopic phase behavior. We also study active nematics, liquid crystals driven out of equilibrium by energy-dissipating active stresses. The equilibrium nematic state is unstable in these materials, leading to beautiful and surprising behaviors including the spontaneous generation of topological defect pairs which stream through the system and later annihilate, yielding a complex, seemingly chaotic dynamical steady-state. Here, we describe the emergence of order from this chaos in the form of previously unknown broken-symmetry phases in which the topological defects themselves undergo orientational ordering. We have identified these defect-ordered phases in two realizations of an active nematic: first, a suspension of extensile bundles of microtubules and molecular motor proteins, and second, a computational model of extending hard rods. We will describe the defect-stabilized phases that manifest in these systems, our current understanding of their origins, and discuss whether such phases may be a general feature of extensile active nematics.

Investigations on transparent liquid-miscibility gap systems

NASA Technical Reports Server (NTRS)

Lacy, L. L.; Nishioka, G.; Ross, S.

1979-01-01

Sedimentation and phase separation is a well known occurrence in monotectic or miscibility gap alloys. Previous investigations indicate that it may be possible to prepare such alloys in a low-gravity space environment but recent experiments indicate that there may be nongravity dependent phase separation processes which can hinder the formation of such alloys. Such phase separation processes are studied using transparent liquid systems and holography. By reconstructing holograms into a commercial-particle-analysis system, real time computer analysis can be performed on emulsions with diameters in the range of 5 micrometers or greater. Thus dynamic effects associated with particle migration and coalescence can be studied. Characterization studies on two selected immiscible systems including an accurate determination of phase diagrams, surface and interfacial tension measurements, surface excess and wetting behavior near critical solution temperatures completed.

Binary particle separation in droplet microfluidics using acoustophoresis

NASA Astrophysics Data System (ADS)

Fornell, Anna; Cushing, Kevin; Nilsson, Johan; Tenje, Maria

2018-02-01

We show a method for separation of two particle species with different acoustic contrasts originally encapsulated in the same droplet in a continuous two-phase system. This was realized by using bulk acoustic standing waves in a 380 μm wide silicon-glass microfluidic channel. Polystyrene particles (positive acoustic contrast particles) and in-house synthesized polydimethylsiloxane (PDMS) particles (negative acoustic contrast particles) were encapsulated inside water-in-oil droplets either individually or in a mixture. At acoustic actuation of the system at the fundamental resonance frequency, the polystyrene particles were moved to the center of the droplet (pressure node), while the PDMS particles were moved to the sides of the droplet (pressure anti-nodes). The acoustic particle manipulation step was combined in series with a trifurcation droplet splitter, and as the original droplet passed through the splitter and was divided into three daughter droplets, the polystyrene particles were directed into the center daughter droplet, while the PDMS particles were directed into the two side daughter droplets. The presented method expands the droplet microfluidics tool-box and offers new possibilities to perform binary particle separation in droplet microfluidic systems.

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression.

PubMed

McDermott, Danielle; Olson Reichhardt, Cynthia J; Reichhardt, Charles

2016-11-28

Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements of particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.

Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression

DOE PAGES

McDermott, Danielle; Olson Reichhardt, Cynthia J.; Reichhardt, Charles

2016-11-11

In using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements ofmore » particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We also characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.« less

Layer Splitting in a Complex Plasma

NASA Astrophysics Data System (ADS)

Smith, Bernard; Hyde, Truell; Matthews, Lorin; Johnson, Megan; Cook, Mike; Schmoke, Jimmy

2009-11-01

Dust particle clouds are found in most plasma processing environments and many astrophysical environments. Dust particles suspended within such plasmas often acquire an electric charge from collisions with free electrons in the plasma. Depending upon the ratio of interparticle potential energy to average kinetic energy, charged dust particles can form a gaseous, liquid or crystalline structure with short to longer range ordering. An interesting facet of complex plasma behavior is that particle layers appear to split as the DC bias is increased. This splitting of layers points to a phase transition differing from the normal phase transitions found in two-dimensional solids. In 1993, Dubin noted that as the charged particle density of an initially two-dimensional Coulomb crystal increases the system's layers split at specific charge densities. This work modeled ions in a Paul or Penning trap, but may be applicable to dusty plasma systems as well. This work will discuss this possibility along with splitting observed in the CASPER GEC rf Reference Cell at specific pressures and powers.

Hard convex lens-shaped particles: Densest-known packings and phase behavior

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

Cinacchi, Giorgio, E-mail: giorgio.cinacchi@uam.es; Torquato, Salvatore, E-mail: torquato@princeton.edu

2015-12-14

By using theoretical methods and Monte Carlo simulations, this work investigates dense ordered packings and equilibrium phase behavior (from the low-density isotropic fluid regime to the high-density crystalline solid regime) of monodisperse systems of hard convex lens-shaped particles as defined by the volume common to two intersecting congruent spheres. We show that, while the overall similarity of their shape to that of hard oblate ellipsoids is reflected in a qualitatively similar phase diagram, differences are more pronounced in the high-density crystal phase up to the densest-known packings determined here. In contrast to those non-(Bravais)-lattice two-particle basis crystals that are themore » densest-known packings of hard (oblate) ellipsoids, hard convex lens-shaped particles pack more densely in two types of degenerate crystalline structures: (i) non-(Bravais)-lattice two-particle basis body-centered-orthorhombic-like crystals and (ii) (Bravais) lattice monoclinic crystals. By stacking at will, regularly or irregularly, laminae of these two crystals, infinitely degenerate, generally non-periodic in the stacking direction, dense packings can be constructed that are consistent with recent organizing principles. While deferring the assessment of which of these dense ordered structures is thermodynamically stable in the high-density crystalline solid regime, the degeneracy of their densest-known packings strongly suggests that colloidal convex lens-shaped particles could be better glass formers than colloidal spheres because of the additional rotational degrees of freedom.« less

Stability, diffusion and interactions of nonlinear excitations in a many body system

NASA Astrophysics Data System (ADS)

Coste, Christophe; Jean, Michel Saint; Dessup, Tommy

2017-04-01

When repelling particles are confined in a quasi-one-dimensional trap by a transverse potential, a configurational phase transition happens. All particles are aligned along the trap axis at large confinement, but below a critical transverse confinement they adopt a staggered row configuration (zigzag phase). This zigzag transition is a subcritical pitchfork bifurcation in extended systems and in systems with cyclic boundary conditions in the longitudinal direction. Among many evidences, phase coexistence is exhibited by localized nonlinear patterns made of a zigzag phase embedded in otherwise aligned particles. We give the normal form at the bifurcation and we show that these patterns can be described as solitary wave envelopes that we call bubbles. They are stable in a large temperature range and can diffuse as quasi-particles, with a diffusion coefficient that may be deduced from the normal form. The potential energy of a bubble is found to be lower than that of the homogeneous bifurcated phase, which explains their stability. We observe also metastable states, that are pairs of solitary wave envelopes which spontaneously evolve toward a stable single bubble. We evidence a strong effect of the discreteness of the underlying particles system and introduce the concept of topological frustration of a bubble pair. A configuration is frustrated when the particles between the two bubbles are not organized in a modulated staggered row. For a nonfrustrated (NF) bubble pair configuration, the bubbles interaction is attractive so that the bubbles come closer and eventually merge as a single bubble. In contrast, the bubbles interaction is found to be repulsive for a frustrated (F) configuration. We describe a model of interacting solitary wave that provides all qualitative characteristics of the interaction force: it is attractive for NF-systems, repulsive for F-systems, and decreases exponentially with the bubbles distance.

On the phase behavior of hard aspherical particles

NASA Astrophysics Data System (ADS)

Miller, William L.; Cacciuto, Angelo

2010-12-01

We use numerical simulations to understand how random deviations from the ideal spherical shape affect the ability of hard particles to form fcc crystalline structures. Using a system of hard spheres as a reference, we determine the fluid-solid coexistence pressures of both shape-polydisperse and monodisperse systems of aspherical hard particles. We find that when particles are sufficiently isotropic, the coexistence pressure can be predicted from a linear relation involving the product of two simple geometric parameters characterizing the asphericity of the particles. Finally, our results allow us to gain direct insight into the crystallizability limits of these systems by rationalizing empirical data obtained for analogous monodisperse systems.

Activated Random Walkers: Facts, Conjectures and Challenges

NASA Astrophysics Data System (ADS)

Dickman, Ronald; Rolla, Leonardo T.; Sidoravicius, Vladas

2010-02-01

We study a particle system with hopping (random walk) dynamics on the integer lattice ℤ d . The particles can exist in two states, active or inactive (sleeping); only the former can hop. The dynamics conserves the number of particles; there is no limit on the number of particles at a given site. Isolated active particles fall asleep at rate λ>0, and then remain asleep until joined by another particle at the same site. The state in which all particles are inactive is absorbing. Whether activity continues at long times depends on the relation between the particle density ζ and the sleeping rate λ. We discuss the general case, and then, for the one-dimensional totally asymmetric case, study the phase transition between an active phase (for sufficiently large particle densities and/or small λ) and an absorbing one. We also present arguments regarding the asymptotic mean hopping velocity in the active phase, the rate of fixation in the absorbing phase, and survival of the infinite system at criticality. Using mean-field theory and Monte Carlo simulation, we locate the phase boundary. The phase transition appears to be continuous in both the symmetric and asymmetric versions of the process, but the critical behavior is very different. The former case is characterized by simple integer or rational values for critical exponents ( β=1, for example), and the phase diagram is in accord with the prediction of mean-field theory. We present evidence that the symmetric version belongs to the universality class of conserved stochastic sandpiles, also known as conserved directed percolation. Simulations also reveal an interesting transient phenomenon of damped oscillations in the activity density.

Phase diagrams for sticky rods in bulk and in a monolayer from a lattice free-energy functional for anisotropic particles with depletion attractions

NASA Astrophysics Data System (ADS)

Mortazavifar, M.; Oettel, M.

2017-09-01

A density functional of fundamental measure type for a lattice model of anisotropic particles with hard-core repulsions and effective attractions is derived in the spirit of the Asakura-Oosawa model. Through polymeric lattice particles of various size and shape, effective attractions of different strength and range between the colloids can be generated. The functional is applied to the determination of phase diagrams for sticky rods of length L in two dimensions, in three dimensions, and in a monolayer system on a neutral substrate. In all cases, there is a competition between ordering and gas-liquid transitions. In two dimensions, this gives rise to a tricritical point, whereas in three dimensions, the isotropic-nematic transition crosses over smoothly to a gas-nematic liquid transition. The richest phase behavior is found for the monolayer system. For L =2 , two stable critical points are found corresponding to a standard gas-liquid transition and a nematic liquid-liquid transition. For L =3 , the gas-liquid transition becomes metastable.

Key Role of Nitrate in Phase Transitions of Urban Particles: Implications of Important Reactive Surfaces for Secondary Aerosol Formation

NASA Astrophysics Data System (ADS)

Sun, Jiaxing; Liu, Lei; Xu, Liang; Wang, Yuanyuan; Wu, Zhijun; Hu, Min; Shi, Zongbo; Li, Yongjie; Zhang, Xiaoye; Chen, Jianmin; Li, Weijun

2018-01-01

Ammonium sulfate (AS) and ammonium nitrate (AN) are key components of urban fine particles. Both field and model studies showed that heterogeneous reactions of SO2, NO2, and NH3 on wet aerosols accelerated the haze formation in northern China. However, little is known on phase transitions of AS-AN containing haze particles. Here hygroscopic properties of laboratory-generated AS-AN particles and individual particles collected during haze events in an urban site were investigated using an individual particle hygroscopicity system. AS-AN particles showed a two-stage deliquescence at mutual deliquescence relative humidity (MDRH) and full deliquescence relative humidity (DRH) and three physical states: solid before MDRH, solid-aqueous between MDRH and DRH, and aqueous after DRH. During hydration, urban haze particles displayed a solid core and aqueous shell at RH = 60-80% and aqueous phase at RH > 80%. Most particles were in aqueous phase at RH > 50% during dehydration. Our results show that AS content in individual particles determines their DRH and AN content determines their MDRH. AN content increase can reduce MDRH, which indicates occurrence of aqueous shell at lower RH. The humidity-dependent phase transitions of nitrate-abundant urban particles are important to provide reactive surfaces of secondary aerosol formation in the polluted air.

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

DOE PAGES

Wang, Chi -Jen; Liu, Da -Jiang; Evans, James W.

2015-04-28

Threshold versions of Schloegl’s model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique valuemore » but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. As a result, mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.« less

Discontinuous non-equilibrium phase transition in a threshold Schloegl model for autocatalysis: Generic two-phase coexistence and metastability

NASA Astrophysics Data System (ADS)

Wang, Chi-Jen; Liu, Da-Jiang; Evans, James W.

2015-04-01

Threshold versions of Schloegl's model on a lattice, which involve autocatalytic creation and spontaneous annihilation of particles, can provide a simple prototype for discontinuous non-equilibrium phase transitions. These models are equivalent to so-called threshold contact processes. A discontinuous transition between populated and vacuum states can occur selecting a threshold of N ≥ 2 for the minimum number, N, of neighboring particles enabling autocatalytic creation at an empty site. Fundamental open questions remain given the lack of a thermodynamic framework for analysis. For a square lattice with N = 2, we show that phase coexistence occurs not at a unique value but for a finite range of particle annihilation rate (the natural control parameter). This generic two-phase coexistence also persists when perturbing the model to allow spontaneous particle creation. Such behavior contrasts both the Gibbs phase rule for thermodynamic systems and also previous analysis for this model. We find metastability near the transition corresponding to a non-zero effective line tension, also contrasting previously suggested critical behavior. Mean-field type analysis, extended to treat spatially heterogeneous states, further elucidates model behavior.

Effects of Inert Dust Clouds on the Extinction of Strained, Laminar Flames at Normal and Micro Gravity

NASA Technical Reports Server (NTRS)

Andac, M. Gurhan; Egolfopoulos, Fokion N.; Campbell, Charles S.; Lauvergne, Romain; Wu, Ming-Shin (Technical Monitor)

2000-01-01

A combined experimental and detailed numerical study was conducted on the interaction between chemically inert solid particles and strained, atmospheric methane/air and propane/air laminar flames, both premixed and non-premixed. Experimentally, the opposed jet configuration was used with the addition of a particle seeder capable of operating in conditions of varying gravity. The particle seeding system was calibrated under both normal and micro gravity and a noticeable gravitational effect was observed. Flame extinction experiments were conducted at normal gravity by seeding inert particles at various number densities and sizes into the reacting gas phase. Experimental data were taken for 20 and 37 (mu) nickel alloy and 25 and 60 (mu) aluminum oxide particles. The experiments were simulated by solving along the stagnation streamline the conservation equations of mass, momentum, energy, and species conservation for both phases, with detailed descriptions of chemical kinetics, molecular transport, and thermal radiation. The experimental data were compared with numerical simulations, and insight was provided into the effects on extinction of the fuel type, equivalence ratio, flame configuration, strain rate. particle type. particle size. particle mass, delivery rate. the orientation of particle injection with respect to the flame and gravity. It was found that for the same injected solid mass, larger particles can result in more effective flame cooling compared to smaller particles, despite the fact that equivalent masses of the larger particles have smaller total surface area to volume ratio. This counter-intuitive finding resulted from the fact that the heat exchange between the two phases is controlled by the synergistic effect of the total contact area and the temperature difference between the two phases. Results also demonstrate that meaningful scaling of interactions between the two phases may not be possible due to the complexity of the couplings between the dynamic and thermal parameters of the problem.

A facility for gas- and condensed-phase measurements behind shock waves

NASA Astrophysics Data System (ADS)

Petersen, Eric L.; Rickard, Matthew J. A.; Crofton, Mark W.; Abbey, Erin D.; Traum, Matthew J.; Kalitan, Danielle M.

2005-09-01

A shock-tube facility consisting of two, single-pulse shock tubes for the study of fundamental processes related to gas-phase chemical kinetics and the formation and reaction of solid and liquid aerosols at elevated temperatures is described. Recent upgrades and additions include a new high-vacuum system, a new gas-handling system, a new control system and electronics, an optimized velocity-detection scheme, a computer-based data acquisition system, several optical diagnostics, and new techniques and procedures for handling experiments involving gas/powder mixtures. Test times on the order of 3 ms are possible with reflected-shock pressures up to 100 atm and temperatures greater than 4000 K. Applications for the shock-tube facility include the study of ignition delay times of fuel/oxidizer mixtures, the measurement of chemical kinetic reaction rates, the study of fundamental particle formation from the gas phase, and solid-particle vaporization, among others. The diagnostic techniques include standard differential laser absorption, FM laser absorption spectroscopy, laser extinction for particle volume fraction and size, temporally and spectrally resolved emission from gas-phase species, and a scanning mobility particle sizer for particle size distributions. Details on the set-up and operation of the shock tube and diagnostics are given, the results of a detailed uncertainty analysis on the accuracy of the test temperature inferred from the incident-shock velocity are provided, and some recent results are presented.

Long-wavelength fluctuations and the glass transition in two dimensions and three dimensions

PubMed Central

Vivek, Skanda; Kelleher, Colm P.; Chaikin, Paul M.

2017-01-01

Phase transitions significantly differ between 2D and 3D systems, but the influence of dimensionality on the glass transition is unresolved. We use microscopy to study colloidal systems as they approach their glass transitions at high concentrations and find differences between two dimensions and three dimensions. We find that, in two dimensions, particles can undergo large displacements without changing their position relative to their neighbors, in contrast with three dimensions. This is related to Mermin–Wagner long-wavelength fluctuations that influence phase transitions in two dimensions. However, when measuring particle motion only relative to their neighbors, two dimensions and three dimensions have similar behavior as the glass transition is approached, showing that the long-wavelength fluctuations do not cause a fundamental distinction between 2D and 3D glass transitions. PMID:28137847

Long-wavelength fluctuations and the glass transition in two dimensions and three dimensions.

PubMed

Vivek, Skanda; Kelleher, Colm P; Chaikin, Paul M; Weeks, Eric R

2017-02-21

Phase transitions significantly differ between 2D and 3D systems, but the influence of dimensionality on the glass transition is unresolved. We use microscopy to study colloidal systems as they approach their glass transitions at high concentrations and find differences between two dimensions and three dimensions. We find that, in two dimensions, particles can undergo large displacements without changing their position relative to their neighbors, in contrast with three dimensions. This is related to Mermin-Wagner long-wavelength fluctuations that influence phase transitions in two dimensions. However, when measuring particle motion only relative to their neighbors, two dimensions and three dimensions have similar behavior as the glass transition is approached, showing that the long-wavelength fluctuations do not cause a fundamental distinction between 2D and 3D glass transitions.

Stratification of a two-phase monodisperse system in a plane laminar flow

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

Fedoseev, V. B., E-mail: vbfedoseev@yandex.ru

2016-05-15

A thermodynamic approach is used to describe the distribution of particles of a disperse phase in a plane laminar flow. The effect of the density, shape, and velocity of disperse particles in the flow is considered. Conditions are described under which various modes of stratification of the flow (near-wall, central, intermediate, and multilayer modes) arise. The equilibrium distributions obtained are self-similar; this allows one to compare the behavior of colloidal, highly disperse, coarsely disperse, and coarse-grain systems for various shear velocities and flow widths.

Hexatic smectic phase with algebraically decaying bond-orientational order

NASA Astrophysics Data System (ADS)

Agosta, Lorenzo; Metere, Alfredo; Dzugutov, Mikhail

2018-05-01

The hexatic phase predicted by the theories of two-dimensional melting is characterized by the power-law decay of the orientational correlations, whereas the in-layer bond orientational order in all the hexatic smectic phases observed so far was found to be long range. We report a hexatic smectic phase where the in-layer bond orientational correlations decay algebraically, in quantitative agreement with the hexatic ordering predicted by the theory for two dimensions. The phase was formed in a molecular dynamics simulation of a one-component system of particles interacting via a spherically symmetric potential. The present results thus demonstrate that the theoretically predicted two-dimensional hexatic order can exist in a three-dimensional system.

Stochastic many-particle model for LFP electrodes

NASA Astrophysics Data System (ADS)

Guhlke, Clemens; Gajewski, Paul; Maurelli, Mario; Friz, Peter K.; Dreyer, Wolfgang

2018-02-01

In the framework of non-equilibrium thermodynamics, we derive a new model for many-particle electrodes. The model is applied to LiFePO4 (LFP) electrodes consisting of many LFP particles of nanometer size. The phase transition from a lithium-poor to a lithium-rich phase within LFP electrodes is controlled by both different particle sizes and surface fluctuations leading to a system of stochastic differential equations. An explicit relation between battery voltage and current controlled by the thermodynamic state variables is derived. This voltage-current relation reveals that in thin LFP electrodes lithium intercalation from the particle surfaces into the LFP particles is the principal rate-limiting process. There are only two constant kinetic parameters in the model describing the intercalation rate and the fluctuation strength, respectively. The model correctly predicts several features of LFP electrodes, viz. the phase transition, the observed voltage plateaus, hysteresis and the rate-limiting capacity. Moreover we study the impact of both the particle size distribution and the active surface area on the voltage-charge characteristics of the electrode. Finally we carefully discuss the phase transition for varying charging/discharging rates.

Beyond the single-file fluid limit using transfer matrix method: Exact results for confined parallel hard squares

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

Gurin, Péter; Varga, Szabolcs

2015-06-14

We extend the transfer matrix method of one-dimensional hard core fluids placed between confining walls for that case where the particles can pass each other and at most two layers can form. We derive an eigenvalue equation for a quasi-one-dimensional system of hard squares confined between two parallel walls, where the pore width is between σ and 3σ (σ is the side length of the square). The exact equation of state and the nearest neighbor distribution functions show three different structures: a fluid phase with one layer, a fluid phase with two layers, and a solid-like structure where the fluidmore » layers are strongly correlated. The structural transition between differently ordered fluids develops continuously with increasing density, i.e., no thermodynamic phase transition occurs. The high density structure of the system consists of clusters with two layers which are broken with particles staying in the middle of the pore.« less

Controlling Fundamentals in High-Energy High-Rate Pulsed Power Materials Processing of Powdered Tungsten, Titanium Aluminides, and Copper-Graphite Composites

DTIC Science & Technology

1990-10-01

phase systems such as tungsten; plastic flow of a minor low -temperature phase in a two phase non-interacting system such as tungsten- copper ; and...consolidation heat treatment. The de- the wetting of graphite by copper or during consolidation by this tech- tailed phase transformation evolution other...The driving potential for this solid state phase transformation is the free surface energy associated with the total powder particle surface area in the

Predicting patchy particle crystals: variable box shape simulations and evolutionary algorithms.

PubMed

Bianchi, Emanuela; Doppelbauer, Günther; Filion, Laura; Dijkstra, Marjolein; Kahl, Gerhard

2012-06-07

We consider several patchy particle models that have been proposed in literature and we investigate their candidate crystal structures in a systematic way. We compare two different algorithms for predicting crystal structures: (i) an approach based on Monte Carlo simulations in the isobaric-isothermal ensemble and (ii) an optimization technique based on ideas of evolutionary algorithms. We show that the two methods are equally successful and provide consistent results on crystalline phases of patchy particle systems.

The analysis of magnesium oxide hydration in three-phase reaction system

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

Tang, Xiaojia; Guo, Lin; Chen, Chen

In order to investigate the magnesium oxide hydration process in gas–liquid–solid (three-phase) reaction system, magnesium hydroxide was prepared by magnesium oxide hydration in liquid–solid (two-phase) and three-phase reaction systems. A semi-empirical model and the classical shrinking core model were used to fit the experimental data. The fitting result shows that both models describe well the hydration process of three-phase system, while only the semi-empirical model right for the hydration process of two-phase system. The characterization of the hydration product using X-Ray diffraction (XRD) and scanning electron microscope (SEM) was performed. The XRD and SEM show hydration process in the two-phasemore » system follows common dissolution/precipitation mechanism. While in the three-phase system, the hydration process undergo MgO dissolution, Mg(OH){sub 2} precipitation, Mg(OH){sub 2} peeling off from MgO particle and leaving behind fresh MgO surface. - Graphical abstract: There was existence of a peeling-off process in the gas–liquid–solid (three-phase) MgO hydration system. - Highlights: • Magnesium oxide hydration in gas–liquid–solid system was investigated. • The experimental data in three-phase system could be fitted well by two models. • The morphology analysis suggested that there was existence of a peel-off process.« less

Clustering of low-valence particles: structure and kinetics.

PubMed

Markova, Olga; Alberts, Jonathan; Munro, Edwin; Lenne, Pierre-François

2014-08-01

We compute the structure and kinetics of two systems of low-valence particles with three or six freely oriented bonds in two dimensions. The structure of clusters formed by trivalent particles is complex with loops and holes, while hexavalent particles self-organize into regular and compact structures. We identify the elementary structures which compose the clusters of trivalent particles. At initial stages of clustering, the clusters of trivalent particles grow with a power-law time dependence. Yet at longer times fusion and fission of clusters equilibrates and clusters form a heterogeneous phase with polydispersed sizes. These results emphasize the role of valence in the kinetics and stability of finite-size clusters.

Monte Carlo computer simulation of sedimentation of charged hard spherocylinders.

PubMed

Viveros-Méndez, P X; Gil-Villegas, Alejandro; Aranda-Espinoza, S

2014-07-28

In this article we present a NVT Monte Carlo computer simulation study of sedimentation of an electroneutral mixture of oppositely charged hard spherocylinders (CHSC) with aspect ratio L/σ = 5, where L and σ are the length and diameter of the cylinder and hemispherical caps, respectively, for each particle. This system is an extension of the restricted primitive model for spherical particles, where L/σ = 0, and it is assumed that the ions are immersed in an structureless solvent, i.e., a continuum with dielectric constant D. The system consisted of N = 2000 particles and the Wolf method was implemented to handle the coulombic interactions of the inhomogeneous system. Results are presented for different values of the strength ratio between the gravitational and electrostatic interactions, Γ = (mgσ)/(e(2)/Dσ), where m is the mass per particle, e is the electron's charge and g is the gravitational acceleration value. A semi-infinite simulation cell was used with dimensions Lx ≈ Ly and Lz = 5Lx, where Lx, Ly, and Lz are the box dimensions in Cartesian coordinates, and the gravitational force acts along the z-direction. Sedimentation effects were studied by looking at every layer formed by the CHSC along the gravitational field. By increasing Γ, particles tend to get more packed at each layer and to arrange in local domains with an orientational ordering along two perpendicular axis, a feature not observed in the uncharged system with the same hard-body geometry. This type of arrangement, known as tetratic phase, has been observed in two-dimensional systems of hard-rectangles and rounded hard-squares. In this way, the coupling of gravitational and electric interactions in the CHSC system induces the arrangement of particles in layers, with the formation of quasi-two dimensional tetratic phases near the surface.

Single-particle excitations in periodically modulated two-dimensional electron gas

NASA Astrophysics Data System (ADS)

Kushwaha, Manvir S.

2008-06-01

A theoretical investigation is made of the plasmon excitations in a two-dimensional electron gas subjected to a one-dimensional periodic potential. We embark on the single-particle excitations within a two-subband model in the framework of Bohm-Pines’ random-phase approximation. For such an anisotropic system with spatially modulated charge density, we observe the existence of interesting esthetic necktie gaps that are found to center at the zone boundaries within the intersubband single-particle excitations. We discuss the dependence of the size of necktie gaps on the modulation potential.

Superradiant phase transition in a model of three-level-Λ systems interacting with two bosonic modes

NASA Astrophysics Data System (ADS)

Hayn, Mathias; Emary, Clive; Brandes, Tobias

2012-12-01

We consider an ensemble of three-level particles in Lambda configuration interacting with two bosonic modes. The Hamiltonian has the form of a generalized Dicke model. We show that in the thermodynamic limit this model supports a superradiant quantum phase transition. Remarkably, this can be both a first- and a second-order phase transition. A connection of the phase diagram to the symmetries of the Hamiltonian is also given. In addition, we show that this model can describe atoms interacting with an electromagnetic field in which the microscopic Hamiltonian includes a diamagnetic contribution. Even though the parameters of the atomic system respect the Thomas-Reiche-Kuhn sum rule, the system still shows a superradiant phase transition.

Microfluidic generation of particle-stabilized water-in-water emulsions

NASA Astrophysics Data System (ADS)

Abbasi, Niki; Navi, Maryam; Tsai, Scott

2017-11-01

We present a microfluidic platform that generates particle-stabilized water-in-water emulsions, using an aqueous two-phase system (ATPS) of polyethylene glycol (PEG) and Dextran (DEX). DEX droplets are generated passively at a flow focusing junction, in a continuous phase of PEG and carboxylated particles, using weak hydrostatic pressure to drive the flow. As DEX droplets travel inside the microfluidic device, carboxylated particles partition to the interface of the droplets. The number of particles partitioning to the interface of droplets increases as the droplets migrate downstream in the microchannel. As a result, the DEX droplets become stabilized against coalescence. We study the coverage and stability of the DEX droplets further downstream inside a reservoir, by changing the carboxylated particle concentration and the particle size. We anticipate that particle-stabilized water-in-water emulsions may have important biotechnological applications, due to their intrinsic biocompatibility compared to traditional particle-stabilized water-in-oil emulsions, for example for cell encapsulation.

Experimental Studies of the Brownian Diffusion of Boomerang Colloidal Particle in a Confined Geometry

NASA Astrophysics Data System (ADS)

Chakrabarty, Ayan; Wang, Feng; Joshi, Bhuwan; Wei, Qi-Huo

2011-03-01

Recent studies shows that the boomerang shaped molecules can form various kinds of liquid crystalline phases. One debated topic related to boomerang molecules is the existence of biaxial nematic liquid crystalline phase. Developing and optical microscopic studies of colloidal systems of boomerang particles would allow us to gain better understanding of orientation ordering and dynamics at ``single molecule'' level. Here we report the fabrication and experimental studies of the Brownian motion of individual boomerang colloidal particles confined between two glass plates. We used dark-field optical microscopy to directly visualize the Brownian motion of the single colloidal particles in a quasi two dimensional geometry. An EMCCD was used to capture the motion in real time. An indigenously developed imaging processing algorithm based on MatLab program was used to precisely track the position and orientation of the particles with sub-pixel accuracy. The experimental finding of the Brownian diffusion of a single boomerang colloidal particle will be discussed.

Effect of Alcohols on the Phase Behavior and Emulsification of a Sucrose Fatty Acid Ester/Water/Edible Oil System.

PubMed

Matsuura, Tsutashi; Ogawa, Akihiro; Ohara, Yukari; Nishina, Shogo; Nakanishi, Maho; Gohtani, Shoichi

2018-02-01

The effect of alcohols (ethanol, 1-propanol, propylene glycol, glycerin, sucrose) on the phase behavior and emulsification of sucrose stearic acid ester (SSE)/water/edible vegetable oil (EVO) systems was investigated. Adding sucrose, propylene glycol, and glycerin narrowed the oil-separated two-phase region in the phase diagram of the SSE/water/EVO systems, whereas adding ethanol and 1-propanol expanded the oil-separated two-phase region. Changing the course of emulsification in the phase diagram showed that the size of the oil-droplet particle typically decreased in a system with a narrowed oil-separated region. The emulsification properties of the systems varied with respect to changes in the phase diagram. The microstructure of the systems was examined using small-angle X-ray scattering, and the ability to retain the oil in the lamellar structure of the SSEs was suggested as an important role in emulsification, because the mechanism of the systems was the same as that for the liquid crystal emulsification method.

Note: Formation of the nematic splay-bend in two-dimensional systems of bow-shaped particles

NASA Astrophysics Data System (ADS)

Karbowniczek, Paweł

2018-04-01

Recently, Tavarone et al. (J. Chem. Phys. 143, 114505 (2015)) discussed phase behavior of zig-zag and bow-shaped particles composed of three needles. The authors presented very interesting results of extensive Monte Carlo simulations with periodic boundary conditions in the constant-NVT and the constant-NPT ensembles. In addition to isotropic, nematic, and smectic phases, they identified a modulated nematic, which is actually the nematic splay-bend phase ($N_{SB}$), long-anticipated for bent-core systems (Europhys. Lett. 56, 247 (2001)). They also described isotropic-nematic and nematic-smectic transitions using Density Functional Theory in mean-field approximation. The authors, however, did not provided a theoretical description of the $N_{SB}$. Here, we present a simple theory of a phase transition to the $N_{SB}$ phase to fill the gap. In our study, we use Onsager-type Density Functional Theory with perfect order approximation and Meyer parametrization of modulated structures. We present results for arbitrary ratios of the length of central and side segments and opening angles of bow-shaped particles.

Solid-liquid like phase transition in a confined granular suspension

NASA Astrophysics Data System (ADS)

Sakai, Nariaki; Lechenault, Frederic; Adda Bedia, Mokhtar

We present an experimental study of a liquid-solid like phase transition in a two-dimensional granular media. Particles are placed in a vertical Hele-Show cell filled with a denser solution of cesium-chloride. Thus, when the cell is rotated around its axis, hydrostatic pressure exerts a centripetal force on the particles which confines them towards the center. This force is in competition with gravity, thus by modifying the rotation rate, it is possible to transform continuously and reversibly the sample from a disordered loose state to an ordered packed state. The system presents many similarities with thermal systems at equilibrium like density and interface fluctuations, and the transition between the two phases goes through a coexistence state, where there is nucleation and growth of locally ordered domains which are captured by the correlation function of the hexatic order parameter. We discuss the possibility to extend the grand-canonical formalism to out-of equilibrium systems, in order to uncover a state equation between the density and the pressure in the medium.

Gas-phase kinetics modifies the CCN activity of a biogenic SOA.

PubMed

Vizenor, A E; Asa-Awuku, A A

2018-02-28

Our current knowledge of cloud condensation nuclei (CCN) activity and the hygroscopicity of secondary organic aerosol (SOA) depends on the particle size and composition, explicitly, the thermodynamic properties of the aerosol solute and subsequent interactions with water. Here, we examine the CCN activation of 3 SOA systems (2 biogenic single precursor and 1 mixed precursor SOA system) in relation to gas-phase decay. Specifically, the relationship between time, gas-phase precursor decay and CCN activity of 100 nm SOA is studied. The studied SOA systems exhibit a time-dependent growth of CCN activity at an instrument supersaturation of ∼0.2%. As such, we define a critical activation time, t 50 , above which a 100 nm SOA particle will activate. The critical activation time for isoprene, longifolene and a mixture of the two precursor SOA is 2.01 hours, 2.53 hours and 3.17 hours, respectively. The activation times are then predicted with gas-phase kinetic data inferred from measurements of precursor decay. The gas-phase prediction of t 50 agrees well with CCN measured t 50 (within 0.05 hours of the actual critical times) and suggests that the gas-to-particle phase partitioning may be more significant for SOA CCN prediction than previously thought.

Morphologies of aerosol particles consisting of two liquid phases

NASA Astrophysics Data System (ADS)

Song, Mijung; Marcolli, Claudia; Krieger, Ulrich; Peter, Thomas

2013-04-01

Recent studies have shown that liquid-liquid phase separation (LLPS) might be a common feature in mixed organic/ammonium sulfate (AS)/H2O particles. Song et al. (2012) observed that in atmospheric relevant organic/AS/H2O mixtures LLPS always occurred for organic aerosol compositions with O:C < 0.56, depended on the specific functional groups of organics in the range of 0.56 < O:C < 0.80 and never appeared for O:C > 0.80. The composition of the organic fraction and the mixing state of aerosol particles may influence deliquescence relative humidity (DRH) and efflorescence relative humidity (ERH) of inorganic salts during RH cycles and also aerosol morphology. In order to determine how the deliquescence and efflorescence of AS in mixed organic/AS/H2O particles is influenced by LLPS and to identify the corresponding morphologies of the particles, we subjected organic/AS/H2O particles deposited on a hydrophobically coated substrate to RH cycles and observed the phase transitions using optical microscopy and Raman spectroscopy. In this study, we report results from 21 organic/AS/H2O systems with O:C ranging from 0.55 - 0.85 covering aliphatic and aromatic oxidized compounds. Eight systems did not show LLPS for all investigated organic-to-inorganic ratios, nine showed core-shell morphology when present in a two-liquid-phases state and four showed both, core-shell or partially engulfed configurations depending on the organic-to-inorganic ratio. While AS in aerosol particles with complete LLPS showed almost constant values of ERH = 44 ± 4 % and DRH = 77 ± 2 %, a strong reduction or complete inhibition of efflorescence occurred for mixtures that did not exhibit LLPS. To confirm these findings, we performed supplementary experiments on levitated particles in an electrodynamic balance and compared surface and interfacial tensions of the investigated mixtures. Reference Song, M., C. Marcolli, U. K. Krieger, A. Zuend, and T. Peter (2012), Liquid-liquid phase separation in aerosol particles: Dependence on O:C, organic functionalities, and compositional complexity, Geophys. Res. Lett., 39doi:10.1029/2012GL052807.

A novel inlet system for online chemical analysis of semi-volatile submicron particulate matter

NASA Astrophysics Data System (ADS)

Eichler, P.; Müller, M.; D'Anna, B.; Wisthaler, A.

2015-03-01

We herein present a novel modular inlet system designed to be coupled to low-pressure gas analyzers for online chemical characterization of semi-volatile submicron particles. The "chemical analysis of aerosol online" (CHARON) inlet consists of a gas-phase denuder for stripping off gas-phase analytes, an aerodynamic lens for particle collimation combined with an inertial sampler for the particle-enriched flow and a thermodesorption unit for particle volatilization prior to chemical analysis. The denuder was measured to remove gas-phase organics with an efficiency > 99.999% and to transmit particles in the 100-750 nm size range with a 75-90% efficiency. The measured average particle enrichment factor in the subsampling flow from the aerodynamic lens was 25.6, which is a factor of 3 lower than the calculated theoretical optimum. We coupled the CHARON inlet to a proton-transfer-reaction time-of-flight mass spectrometer (PTR-ToF-MS) which quantitatively detects most organic analytes and ammonia. The combined CHARON-PTR-ToF-MS setup is thus capable of measuring both the organic and the ammonium fraction in submicron particles in real time. Individual organic compounds can be detected down to levels of 10-20 ng m-3. Two proof-of-principle studies were carried out for demonstrating the analytical power of this new instrumental setup: (i) oxygenated organics and their partitioning between the gas and the particulate phase were observed from the reaction of limonene with ozone and (ii) nicotine was measured in cigarette smoke particles demonstrating that selected organic target compounds can be detected in submicron particles in real time.

Phase behavior of charged hydrophobic colloids on flat and spherical surfaces

NASA Astrophysics Data System (ADS)

Kelleher, Colm P.

For a broad class of two-dimensional (2D) materials, the transition from isotropic fluid to crystalline solid is described by the theory of melting due to Kosterlitz, Thouless, Halperin, Nelson and Young (KTHNY). According to this theory, long-range order is achieved via elimination of the topological defects which proliferate in the fluid phase. However, many natural and man-made 2D systems posses spatial curvature and/or non-trivial topology, which require the presence of topological defects, even at T=0. In principle, the presence of these defects could profoundly affect the phase behavior of such a system. In this thesis, we develop and characterize an experimental system of charged colloidal particles that bind electrostatically to the interface between an oil and an aqueous phase. Depending on how we prepare the sample, this fluid interface may be flat, spherical, or have a more complicated geometry. Focusing on the cases where the interface is flat or spherical, we measure the interactions between the particles, and probe various aspects of their phase behavior. On flat interfaces, this phase behavior is well-described by KTHNY theory. In spherical geometries, however, we observe spatial structures and inhomogeneous dynamics that cannot be captured by the measures traditionally used to describe flat-space phase behavior. We show that, in the spherical system, ordering is achieved by a novel mechanism: sequestration of topological defects into freely-terminating grain boundaries ("scars"), and simultaneous spatial organization of the scars themselves on the vertices of an icosahedron. The emergence of icosahedral order coincides with the localization of mobility into isolated "lakes" of fluid or glassy particles, situated at the icosahedron vertices. These lakes are embedded in a rigid, connected "continent" of locally crystalline particles.

An exact solution of the Currie-Hill equations in 1 + 1 dimensional Minkowski space

NASA Astrophysics Data System (ADS)

Balog, János

2014-11-01

We present an exact two-particle solution of the Currie-Hill equations of Predictive Relativistic Mechanics in 1 + 1 dimensional Minkowski space. The instantaneous accelerations are given in terms of elementary functions depending on the relative particle position and velocities. The general solution of the equations of motion is given and by studying the global phase space of this system it is shown that this is a subspace of the full kinematic phase space.

Unexpected trapping of particles at a T junction.

PubMed

Vigolo, Daniele; Radl, Stefan; Stone, Howard A

2014-04-01

A common element in physiological flow networks, as well as most domestic and industrial piping systems, is a T junction that splits the flow into two nearly symmetric streams. It is reasonable to assume that any particles suspended in a fluid that enters the bifurcation will leave it with the fluid. Here we report experimental evidence and a theoretical description of a trapping mechanism for low-density particles in steady and pulsatile flows through T-shaped junctions. This mechanism induces accumulation of particles, which can form stable chains, or give rise to significant growth of bubbles due to coalescence. In particular, low-density material dispersed in the continuous phase fluid interacts with a vortical flow that develops at the T junction. As a result suspended particles can enter the vortices and, for a wide range of common flow conditions, the particles do not leave the bifurcation. Via 3D numerical simulations and a model of the two-phase flow we predict the location of particle accumulation, which is in excellent agreement with experimental data. We identify experimentally, as well as confirm by numerical simulations and a simple force balance, that there is a wide parameter space in which this phenomenon occurs. The trapping effect is expected to be important for the design of particle separation and fractionation devices, as well as used for better understanding of system failures in piping networks relevant to industry and physiology.

Unexpected trapping of particles at a T junction

PubMed Central

Vigolo, Daniele; Radl, Stefan; Stone, Howard A.

2014-01-01

A common element in physiological flow networks, as well as most domestic and industrial piping systems, is a T junction that splits the flow into two nearly symmetric streams. It is reasonable to assume that any particles suspended in a fluid that enters the bifurcation will leave it with the fluid. Here we report experimental evidence and a theoretical description of a trapping mechanism for low-density particles in steady and pulsatile flows through T-shaped junctions. This mechanism induces accumulation of particles, which can form stable chains, or give rise to significant growth of bubbles due to coalescence. In particular, low-density material dispersed in the continuous phase fluid interacts with a vortical flow that develops at the T junction. As a result suspended particles can enter the vortices and, for a wide range of common flow conditions, the particles do not leave the bifurcation. Via 3D numerical simulations and a model of the two-phase flow we predict the location of particle accumulation, which is in excellent agreement with experimental data. We identify experimentally, as well as confirm by numerical simulations and a simple force balance, that there is a wide parameter space in which this phenomenon occurs. The trapping effect is expected to be important for the design of particle separation and fractionation devices, as well as used for better understanding of system failures in piping networks relevant to industry and physiology. PMID:24639547

Phase- and size-controllable synthesis of hexagonal upconversion rare-earth fluoride nanocrystals through an oleic acid/ionic liquid two-phase system.

PubMed

He, Meng; Huang, Peng; Zhang, Chunlei; Ma, Jiebing; He, Rong; Cui, Daxiang

2012-05-07

Herein, we introduce a facile, user- and environmentally friendly (n-octanol-induced) oleic acid (OA)/ionic liquid (IL) two-phase system for the phase- and size-controllable synthesis of water-soluble hexagonal rare earth (RE = La, Gd, and Y) fluoride nanocrystals with uniform morphologies (mainly spheres and elongated particles) and small sizes (<50 nm). The unique role of the IL 1-butyl-3-methylimidazolium hexafluorophosphate (BmimPF(6)) and n-octanol in modulating the phase structure and particle size are discussed in detail. More importantly, the mechanism of the (n-octanol-induced) OA/IL two-phase system, the formation of the RE fluoride nanocrystals, and the distinctive size- and morphology-controlling capacity of the system are presented. BmimPF(6) is versatile in term of crystal-phase manipulation, size and shape maintenance, and providing water solubility in a one-step reaction. The luminescent properties of Er(3+)-, Ho(3+)-, and Tm(3+)-doped LaF(3), NaGdF(4), and NaYF(4) nanocrystals were also studied. It is worth noting that the as-prepared products can be directly dispersed in water due to the hydrophilic property of Bmim(+) (cationic part of the IL) as a capping agent. This advantageous feature has made the IL-capped products favorable in facile surface modifications, such as the classic Stober method. Finally, the cytotoxicity evaluation of NaYF(4):Yb,Er nanocrystals before and after silica coating was conducted for further biological applications. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Particle merging algorithm for PIC codes

NASA Astrophysics Data System (ADS)

Vranic, M.; Grismayer, T.; Martins, J. L.; Fonseca, R. A.; Silva, L. O.

2015-06-01

Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in previous works, none of them seemed to be able to conserve fully charge, momentum, energy and their associated distributions. We describe here an alternative algorithm based on the coalescence of N massive or massless particles, considered to be close enough in phase space, into two new macro-particles. The local conservation of charge, momentum and energy are ensured by the resolution of a system of scalar equations. Various simulation comparisons have been carried out with and without the merging algorithm, from classical plasma physics problems to extreme scenarios where quantum electrodynamics is taken into account, showing in addition to the conservation of local quantities, the good reproducibility of the particle distributions. In case where the number of particles ought to increase exponentially in the simulation box, the dynamical merging permits a considerable speedup, and significant memory savings that otherwise would make the simulations impossible to perform.

Heterogeneous Oxidation of Atmospheric Organic Aerosol: Kinetics of Changes to the Amount and Oxidation State of Particle-Phase Organic Carbon.

PubMed

Kroll, Jesse H; Lim, Christopher Y; Kessler, Sean H; Wilson, Kevin R

2015-11-05

Atmospheric oxidation reactions are known to affect the chemical composition of organic aerosol (OA) particles over timescales of several days, but the details of such oxidative aging reactions are poorly understood. In this study we examine the rates and products of a key class of aging reaction, the heterogeneous oxidation of particle-phase organic species by the gas-phase hydroxyl radical (OH). We compile and reanalyze a number of previous studies from our laboratories involving the oxidation of single-component organic particles. All kinetic and product data are described on a common basis, enabling a straightforward comparison among different chemical systems and experimental conditions. Oxidation chemistry is described in terms of changes to key ensemble properties of the OA, rather than to its detailed molecular composition, focusing on two quantities in particular, the amount and the oxidation state of the particle-phase carbon. Heterogeneous oxidation increases the oxidation state of particulate carbon, with the rate of increase determined by the detailed chemical mechanism. At the same time, the amount of particle-phase carbon decreases with oxidation, due to fragmentation (C-C scission) reactions that form small, volatile products that escape to the gas phase. In contrast to the oxidation state increase, the rate of carbon loss is nearly uniform among most systems studied. Extrapolation of these results to atmospheric conditions indicates that heterogeneous oxidation can have a substantial effect on the amount and composition of atmospheric OA over timescales of several days, a prediction that is broadly in line with available measurements of OA evolution over such long timescales. In particular, 3-13% of particle-phase carbon is lost to the gas phase after one week of heterogeneous oxidation. Our results indicate that oxidative aging represents an important sink for particulate organic carbon, and more generally that fragmentation reactions play a major role in the lifecycle of atmospheric OA.

Phase segregation and spontaneous symmetry breaking in a bidirectional two-channel non-conserving model with narrow entrances

NASA Astrophysics Data System (ADS)

Sharma, Natasha; Gupta, A. K.

2017-04-01

Motivated by connections between the inputs and outputs of several transport mechanisms and multi-species functionalities, we studied an open system of a two-species totally asymmetric simple exclusion process with narrow entrances, which assimilate the synergy of the particles with the surrounding environment through Langmuir kinetics (LK). We analyzed the model within the framework of mean-field theory, and examined complex phenomena such as boundary-induced phase transitions and spontaneous symmetry breaking for variant conditions of attachment and detachment rates. Based on the theoretical investigations we obtained the phase boundaries for various symmetric and asymmetric phases. Our finding displays a prolific behavior, highlighting the significant effect of LK rates on symmetry breaking. It is found that for lower orders of LK rates, the number of symmetrical and asymmetrical phases increases notably, while for their higher orders symmetry breaking disappears, revealing that the presence of bulk non-conserving processes can resume/break the uniformity between two species. The critical value of LK rates beyond which the asymmetrical phases disappears is identified. The theoretical findings are explored by extensive Monte Carlo simulations. The effect of the system size and symmetry breaking incident on the Monte Carlo simulation results has also been examined based on particle density histograms.

Highly efficient catalytic systems based on Pd-coated microbeads

NASA Astrophysics Data System (ADS)

Lim, Jin Hyun; Cho, Ahyoung; Lee, Seung Hwan; Park, Bumkyo; Kang, Dong Woo; Koo, Chong Min; Yu, Taekyung; Park, Bum Jun

2018-01-01

The efficiency of two prototype catalysis systems using palladium (Pd)-coated microparticles was investigated with regard to the recovery and recyclability of the catalytic particles. One such system was the interface-adsorption method, in which polymer particles coated with Pd nanoparticles strongly and irreversibly attach to the oil-water interface. Due to the irreversible adsorption of the catalytic particles to the interface, particle loss was completely prevented while mixing the aqueous solution and while collecting the products. The other system was based on the magnetic field-associated particle recovery method. The use of polymeric microparticles containing Pd nanoparticles and magnetite nanoparticles accelerated the sedimentation of the particles in the aqueous phase by applying a strong magnetic field, consequently suppressing drainage of the particles from the reactor along the product stream. Upon multiple runs of the catalytic reactions, it was found that conversion does not change significantly, demonstrating the excellent recyclability and performance efficiency in the catalytic processes.

Transfer-matrix study of a hard-square lattice gas with two kinds of particles and density anomaly

NASA Astrophysics Data System (ADS)

Oliveira, Tiago J.; Stilck, Jürgen F.

2015-09-01

Using transfer matrix and finite-size scaling methods, we study the thermodynamic behavior of a lattice gas with two kinds of particles on the square lattice. Only excluded volume interactions are considered, so that the model is athermal. Large particles exclude the site they occupy and its four first neighbors, while small particles exclude only their site. Two thermodynamic phases are found: a disordered phase where large particles occupy both sublattices with the same probability and an ordered phase where one of the two sublattices is preferentially occupied by them. The transition between these phases is continuous at small concentrations of the small particles and discontinuous at larger concentrations, both transitions are separated by a tricritical point. Estimates of the central charge suggest that the critical line is in the Ising universality class, while the tricritical point has tricritical Ising (Blume-Emery-Griffiths) exponents. The isobaric curves of the total density as functions of the fugacity of small or large particles display a minimum in the disordered phase.

Counterfactual distributed controlled-phase gate for quantum-dot spin qubits in double-sided optical microcavities

NASA Astrophysics Data System (ADS)

Guo, Qi; Cheng, Liu-Yong; Chen, Li; Wang, Hong-Fu; Zhang, Shou

2014-10-01

The existing distributed quantum gates required physical particles to be transmitted between two distant nodes in the quantum network. We here demonstrate the possibility to implement distributed quantum computation without transmitting any particles. We propose a scheme for a distributed controlled-phase gate between two distant quantum-dot electron-spin qubits in optical microcavities. The two quantum-dot-microcavity systems are linked by a nested Michelson-type interferometer. A single photon acting as ancillary resource is sent in the interferometer to complete the distributed controlled-phase gate, but it never enters the transmission channel between the two nodes. Moreover, we numerically analyze the effect of experimental imperfections and show that the present scheme can be implemented with high fidelity in the ideal asymptotic limit. The scheme provides further evidence of quantum counterfactuality and opens promising possibilities for distributed quantum computation.

Structure and phase transitions of asphaltenes in solutions

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

Tar, M.M. de; Sheu, E.Y.; Storm, D.A.

The authors investigated the rheological properties of two vacuum resid fractions in a series of solvents. The authors measured the viscosity as a function of concentration and temperature respectively. In this study, two aspects were focused: (1) the concentration dependence of viscosity for the pentane soluble fractions in a series of n-alkane solvents for study of the particle structure, and (2) the temperature dependence of viscosity of the heptane insoluble fraction in toluene at various concentrations for the study of the phase transitions. From their results it was found that all the systems studied are Newtonian. The results for (1)more » show that the particles are approximately spherical and as the carbon number of the n-alkane solvent increases, the quality of the solvent increases, thereby increasing the particle solvation. This result is consistent with that reported in a recent paper by Ali and Saleem. Also, the particles were found to behave similarly to colloidal particles. As for (2), a glass-like transition was observed at 50% concentration (0.31 volume fraction) with glass transition temperature at about 254 K, while no structural or phase transitions were observed for concentrations below 50%.« less

Electrification of particulate entrained fluid flows-Mechanisms, applications, and numerical methodology

NASA Astrophysics Data System (ADS)

Wei, Wei; Gu, Zhaolin

2015-10-01

Particulates in natural and industrial flows have two basic forms: liquid (droplet) and solid (particle). Droplets would be charged in the presence of the applied electric field (e.g. electrospray). Similar to the droplet charging, particles can also be charged under the external electric field (e.g. electrostatic precipitator), while in the absence of external electric field, tribo-electrostatic charging is almost unavoidable in gas-solid two-phase flows due to the consecutive particle contacts (e.g. electrostatic in fluidized bed or wind-blown sand). The particle charging may be beneficial, or detrimental. Although electrostatics in particulate entrained fluid flow systems have been so widely used and concerned, the mechanisms of particulate charging are still lack of a thorough understanding. The motivation of this review is to explore a clear understanding of particulate charging and movement of charged particulate in two-phase flows, by summarizing the electrification mechanisms, physical models of particulate charging, and methods of charging/charged particulate entrained fluid flow simulations. Two effective methods can make droplets charged in industrial applications: corona charging and induction charging. The droplet charge to mass ratio by corona charging is more than induction discharge. The particle charging through collisions could be attributed to electron transfer, ion transfer, material transfer, and/or aqueous ion shift on particle surfaces. The charges on charged particulate surface can be measured, nevertheless, the charging process in nature or industry is difficult to monitor. The simulation method might build a bridge of investigating from the charging process to finally charged state on particulate surface in particulate entrained fluid flows. The methodology combining the interface tracking under the action of the applied electric with the fluid flow governing equations is applicable to the study of electrohydrodynamics problems. The charge distribution and mechanical behaviors of liquid surface can be predicted by using this method. The methodology combining particle charging model with Computational Fluid Dynamics (CFD) and Discrete element method (DEM) is applicable to study the particle charging/charged processes in gas-solid two phase flows, the influence factors of particle charging, such as gas-particle interaction, contact force, contact area, and various velocities, are described systematically. This review would explore a clear understanding of the particulate charging and provide theoretical references to control and utilize the charging/charged particulate entrained fluid system.

Generation of two-dimensional binary mixtures in complex plasmas

NASA Astrophysics Data System (ADS)

Wieben, Frank; Block, Dietmar

2016-10-01

Complex plasmas are an excellent model system for strong coupling phenomena. Under certain conditions the dust particles immersed into the plasma form crystals which can be analyzed in terms of structure and dynamics. Previous experiments focussed mostly on monodisperse particle systems whereas dusty plasmas in nature and technology are polydisperse. Thus, a first and important step towards experiments in polydisperse systems are binary mixtures. Recent experiments on binary mixtures under microgravity conditions observed a phase separation of particle species with different radii even for small size disparities. This contradicts several numerical studies of 2D binary mixtures. Therefore, dedicated experiments are required to gain more insight into the physics of polydisperse systems. In this contribution first ground based experiments on two-dimensional binary mixtures are presented. Particular attention is paid to the requirements for the generation of such systems which involve the consideration of the temporal evolution of the particle properties. Furthermore, the structure of these two-component crystals is analyzed and compared to simulations. This work was supported by the Deutsche Forschungsgemeinschaft DFG in the framework of the SFB TR24 Greifswald Kiel, Project A3b.

Studying Suspended Sediment Mechanism with Two-Phase PIV

NASA Astrophysics Data System (ADS)

Matinpour, H.; Atkinson, J. F.; Bennett, S. J.; Guala, M.

2017-12-01

Suspended sediment transport affects soil erosion, agriculture and water resources quality. Turbulent diffusion is the most primary force to maintain sediments in suspension. Although extensive previous literature have been studying the interactions between turbulent motion and suspended sediment, mechanism of sediments in suspension is still poorly understood. In this study, we investigate suspension of sediments as two distinct phases: one phase of sediments and another phase of fluid with turbulent motions. We designed and deployed a state-of-the-art two-phase PIV measurement technique to discriminate these two phases and acquire velocities of each phase separately and simultaneously. The technique that we have developed is employing a computer-vision based method, which enables us to discriminate sediment particles from fluid tracer particles based on two thresholds, dissimilar particle sizes and different particle intensities. Results indicate that fluid turbulence decreases in the presence of suspended sediments. Obtaining only sediment phase consecutive images enable us to compute fluctuation sediment concentration. This result enlightens understanding of complex interaction between the fluctuation velocities and the fluctuation of associated mass and compares turbulent viscosity with turbulent eddy diffusivity experimentally.

Composite system in rotationally invariant noncommutative phase space

NASA Astrophysics Data System (ADS)

Gnatenko, Kh. P.; Tkachuk, V. M.

2018-03-01

Composite system is studied in noncommutative phase space with preserved rotational symmetry. We find conditions on the parameters of noncommutativity on which commutation relations for coordinates and momenta of the center-of-mass of composite system reproduce noncommutative algebra for coordinates and momenta of individual particles. Also, on these conditions, the coordinates and the momenta of the center-of-mass satisfy noncommutative algebra with effective parameters of noncommutativity which depend on the total mass of the system and do not depend on its composition. Besides, it is shown that on these conditions the coordinates in noncommutative space do not depend on mass and can be considered as kinematic variables, the momenta are proportional to mass as it has to be. A two-particle system with Coulomb interaction is studied and the corrections to the energy levels of the system are found in rotationally invariant noncommutative phase space. On the basis of this result the effect of noncommutativity on the spectrum of exotic atoms is analyzed.

Doping evolution of spin and charge excitations in the Hubbard model

DOE PAGES

Kung, Y. F.; Nowadnick, E. A.; Jia, C. J.; ...

2015-11-05

We shed light on how electronic correlations vary across the phase diagram of the cuprate superconductors, examining the doping evolution of spin and charge excitations in the single-band Hubbard model using determinant quantum Monte Carlo (DQMC). In the single-particle response, we observe that the effects of correlations weaken rapidly with doping, such that one may expect the random phase approximation (RPA) to provide an adequate description of the two-particle response. In contrast, when compared to RPA, we find that significant residual correlations in the two-particle excitations persist up to 40% hole and 15% electron doping (the range of dopings achievedmore » in the cuprates). Ultimately, these fundamental differences between the doping evolution of single- and multi-particle renormalizations show that conclusions drawn from single-particle processes cannot necessarily be applied to multi-particle excitations. Eventually, the system smoothly transitions via a momentum-dependent crossover into a weakly correlated metallic state where the spin and charge excitation spectra exhibit similar behavior and where RPA provides an adequate description.« less

Hard Competition: Stabilizing the Elusive Biaxial Nematic Phase in Suspensions of Colloidal Particles with Extreme Lengths

NASA Astrophysics Data System (ADS)

Dussi, Simone; Tasios, Nikos; Drwenski, Tara; van Roij, René; Dijkstra, Marjolein

2018-04-01

We use computer simulations to study the existence and stability of a biaxial nematic Nb phase in systems of hard polyhedral cuboids, triangular prisms, and rhombic platelets, characterized by a long (L ), medium (M ), and short (S ) particle axis. For all three shape families, we find stable Nb states provided the shape is not only close to the so-called dual shape with M =√{L S } but also sufficiently anisotropic with L /S >9 ,11 ,14 ,23 for rhombi, (two types of) triangular prisms, and cuboids, respectively, corresponding to anisotropies not considered before. Surprisingly, a direct isotropic-Nb transition does not occur in these systems due to a destabilization of Nb by a smectic (for cuboids and prisms) or a columnar (for platelets) phase at small L /S or by an intervening uniaxial nematic phase at large L /S . Our results are confirmed by a density functional theory provided the third virial coefficient is included and a continuous rather than a discrete (Zwanzig) set of particle orientations is taken into account.

Two phase microstructure for Ag-Ni nanowires

NASA Astrophysics Data System (ADS)

Srivastava, Chandan; Rai, Rajesh Kumar

2013-03-01

In the present study, electrodeposition technique was used to produce Ag-Ni nanowires. Ag-Ni system shows extremely high bulk immiscibility. Nanowire morphology was achieved by employing an anodic alumina membrane having pores of ˜200 nm diameter. Microstructure of as-deposited wire was composed of nano-sized solid solution structured Ag-Ni nanoparticles embedded in a matrix of pure Ag phase. It is proposed that the two phase microstructure resulted from an initial formation of solid solution structured nanoparticles in the alumina template pore followed by nucleation of pure Ag phase over the particles which eventually grew to form the matrix phase.

TWO-PHASE FORMATION IN SOLUTIONS OF TOBACCO MOSAIC VIRUS AND THE PROBLEM OF LONG-RANGE FORCES

PubMed Central

Oster, Gerald

1950-01-01

In a nearly salt-free medium, a dilute tobacco mosaic virus solution of rod-shaped virus particles of uniform length forms two phases; the bottom optically anisotropic phase has a greater virus concentration than has the top optically isotropic phase. For a sample containing particles of various lengths, the bottom phase contains longer particles than does the top and the concentrations top and bottom are nearly equal. The longer the particles the less the minimum concentration necessary for two-phase formation. Increasing the salt concentration increases the minimum concentration. The formation of two phases is explained in terms of geometrical considerations without recourse to the concept of long-range attractive forces. The minimum concentration for two-phase formation is that concentration at which correlation in orientation between the rod-shaped particles begins to take place. This concentration is determined by the thermodynamically effective size and shape of the particles as obtained from the concentration dependence of the osmotic pressure of the solutions measured by light scattering. The effective volume of the particles is introduced into the theory of Onsager for correlation of orientation of uniform size rods and good agreement with experiment is obtained. The theory is extended to a mixture of non-uniform size rods and to the case in which the salt concentration is varied, and agreement with experiment is obtained. The thermodynamically effective volume of the particles and its dependence on salt concentration are explained in terms of the shape of the particles and the electrostatic repulsion between them. Current theories of the hydration of proteins and of long-range forces are critically discussed. The bottom layer of freshly purified tobacco mosaic virus samples shows Bragg diffraction of visible light. The diffraction data indicate that the virus particles in solution form three-dimensional crystals approximately the size of crystalline inclusion bodies found in the cells of plants suffering from the disease. PMID:15422102

Explosive Shock-Wave Consolidation of Aluminum Powder/Carbon Nanotube Aggregate Mixtures: Optical and Electron Metallography

NASA Astrophysics Data System (ADS)

Salas, W.; Alba-Baena, N. G.; Murr, L. E.

2007-12-01

The formation of conventional metal-matrix composites reinforced with carbon nanotubes (CNTs) has proven difficult because of the agglomeration and inability of CNTs to disperse. We have explored the explosive consolidation of 150- μm aluminum powder/multiwalled carbon nanotube (MWCNT) aggregates (including multiconcentric fullerenes) at volume percentages of 2 and 5 pct. These consolidated mixtures formed two-phase, monolithic systems (TPSs) with the MWCNT aggregate material spreading along the Al grains and forming carbon phases mainly at the Al particle triple points. The Al powder particle (or grain) hardness increased from HRE 22 to HRE 40 for the consolidated Al, while the two-phase system hardness dropped from HRE 40 to HRE 39 and 33, respectively, for 2 and 5 vol pct MWCNT aggregate additions. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) observations illustrate a laminate-like structure of the consolidated MWCNT aggregate material, which is easily delaminated, causing intergranular (Al) failure. The Al grains exhibited a shock-induced dislocation substructure (0.5 to 3 μm) and recrystallized subgrains, which increased the individual particle/grain Vickers hardness from 24 to 43 HV.

Directed self-assembly into low-density colloidal liquid crystal phases

NASA Astrophysics Data System (ADS)

Gao, Yongxiang; Romano, Flavio; Dullens, Roel P. A.; Doye, Jonathan K.; Aarts, Dirk G. A. L.

2018-01-01

Alignment of anisometric particles into liquid crystals (LCs) often results from an entropic competition between their rotational and translational degrees of freedom at dense packings. Here we show that by selectively functionalizing the heads of colloidal rods with magnetic nanoparticles this tendency can be broken to direct the particles into novel, low-density LC phases. Under an external magnetic field, the magnetic heads line up in columns whereas the nonmagnetic tails point out randomly in a plane perpendicular to the columns, forming bottle-brush-like objects; laterally, the bottle brushes are entropically stabilized against coalescence. Experiments and simulations show that upon increasing the particle density the system goes from a dilute gas to a dense two-dimensional liquid of bottle brushes with a density well below the zero-field nematic phase. Our findings offer a strategy for self-assembly into three-dimensional open phases that may find applications in switchable photonics, filtration, and light-weight materials.

Two-component Gaussian core model: Strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition.

PubMed

Frydel, Derek; Levin, Yan

2018-01-14

In the present work, we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gas-liquid transition of the two-component system poses a challenging theoretical problem.

Two-component Gaussian core model: Strong-coupling limit, Bjerrum pairs, and gas-liquid phase transition

NASA Astrophysics Data System (ADS)

Frydel, Derek; Levin, Yan

2018-01-01

In the present work, we investigate a gas-liquid transition in a two-component Gaussian core model, where particles of the same species repel and those of different species attract. Unlike a similar transition in a one-component system with particles having attractive interactions at long separations and repulsive interactions at short separations, a transition in the two-component system is not driven solely by interactions but by a specific feature of the interactions, the correlations. This leads to extremely low critical temperature, as correlations are dominant in the strong-coupling limit. By carrying out various approximations based on standard liquid-state methods, we show that a gas-liquid transition of the two-component system poses a challenging theoretical problem.

Co-digestion of polylactide and kitchen garbage in hyperthermophilic and thermophilic continuous anaerobic process.

PubMed

Wang, Feng; Hidaka, Taira; Tsuno, Hiroshi; Tsubota, Jun

2012-05-01

Two series of two-phase anaerobic systems, consisting of a hyperthermophilic (80°C) reactor and a thermophilic (55°C) reactor, fed with a mixture of kitchen garbage (KG) and polylactide (PLA), was compared with a single-phase thermophilic reactor for the overall performance. The result indicated that ammonia addition under hyperthermophilic condition promoted the transformation of PLA particles to lactic acid. The systems with hyperthermophilic treatment had advantages on PLA transformation and methane conversion ratio to the control system. Under the organic loading rate (OLR) of 10.3 g COD/(L day), the PLA transformation ratios of the two-phase systems were 82.0% and 85.2%, respectively, higher than that of the control system (63.5%). The methane conversion ratios of the two-phase systems were 82.9% and 80.8%, respectively, higher than 70.1% of the control system. The microbial community analysis indicated that hyperthermophilic treatment is easily installed to traditional thermophilic anaerobic digestion plants without inoculation of special bacteria. Copyright © 2012 Elsevier Ltd. All rights reserved.

Hydrodynamic Stability Analysis of Particle-Laden Solid Rocket Motors

NASA Astrophysics Data System (ADS)

Elliott, T. S.; Majdalani, J.

2014-11-01

Fluid-wall interactions within solid rocket motors can result in parietal vortex shedding giving rise to hydrodynamic instabilities, or unsteady waves, that translate into pressure oscillations. The oscillations can result in vibrations observed by the rocket, rocket subsystems, or payload, which can lead to changes in flight characteristics, design failure, or other undesirable effects. For many years particles have been embedded in solid rocket propellants with the understanding that their presence increases specific impulse and suppresses fluctuations in the flowfield. This study utilizes a two dimensional framework to understand and quantify the aforementioned two-phase flowfield inside a motor case with a cylindrical grain perforation. This is accomplished through the use of linearized Navier-Stokes equations with the Stokes drag equation and application of the biglobal ansatz. Obtaining the biglobal equations for analysis requires quantification of the mean flowfield within the solid rocket motor. To that end, the extended Taylor-Culick form will be utilized to represent the gaseous phase of the mean flowfield while the self-similar form will be employed for the particle phase. Advancing the mean flowfield by quantifying the particle mass concentration with a semi-analytical solution the finalized mean flowfield is combined with the biglobal equations resulting in a system of eight partial differential equations. This system is solved using an eigensolver within the framework yielding the entire spectrum of eigenvalues, frequency and growth rate components, at once. This work will detail the parametric analysis performed to demonstrate the stabilizing and destabilizing effects of particles within solid rocket combustion.

Equivalence principle for quantum systems: dephasing and phase shift of free-falling particles

NASA Astrophysics Data System (ADS)

Anastopoulos, C.; Hu, B. L.

2018-02-01

We ask the question of how the (weak) equivalence principle established in classical gravitational physics should be reformulated and interpreted for massive quantum objects that may also have internal degrees of freedom (dof). This inquiry is necessary because even elementary concepts like a classical trajectory are not well defined in quantum physics—trajectories originating from quantum histories become viable entities only under stringent decoherence conditions. From this investigation we posit two logically and operationally distinct statements of the equivalence principle for quantum systems. Version A: the probability distribution of position for a free-falling particle is the same as the probability distribution of a free particle, modulo a mass-independent shift of its mean. Version B: any two particles with the same velocity wave-function behave identically in free fall, irrespective of their masses. Both statements apply to all quantum states, including those without a classical correspondence, and also for composite particles with quantum internal dof. We also investigate the consequences of the interaction between internal and external dof induced by free fall. For a class of initial states, we find dephasing occurs for the translational dof, namely, the suppression of the off-diagonal terms of the density matrix, in the position basis. We also find a gravitational phase shift in the reduced density matrix of the internal dof that does not depend on the particle’s mass. For classical states, the phase shift has a natural classical interpretation in terms of gravitational red-shift and special relativistic time-dilation.

Microscopic origin and macroscopic implications of lane formation in mixtures of oppositely driven particles

NASA Astrophysics Data System (ADS)

Klymko, Katherine; Geissler, Phillip L.; Whitelam, Stephen

2016-08-01

Colloidal particles of two types, driven in opposite directions, can segregate into lanes [Vissers et al., Soft Matter 7, 2352 (2011), 10.1039/c0sm01343a]. This phenomenon can be reproduced by two-dimensional Brownian dynamics simulations of model particles [Dzubiella et al., Phys. Rev. E 65, 021402 (2002), 10.1103/PhysRevE.65.021402]. Here we use computer simulation to assess the generality of lane formation with respect to variation of particle type and dynamical protocol. We find that laning results from rectification of diffusion on the scale of a particle diameter: oppositely driven particles must, in the time taken to encounter each other in the direction of the drive, diffuse in the perpendicular direction by about one particle diameter. This geometric constraint implies that the diffusion constant of a particle, in the presence of those of the opposite type, grows approximately linearly with the Péclet number, a prediction confirmed by our numerics over a range of model parameters. Such environment-dependent diffusion is statistically similar to an effective interparticle attraction; consistent with this observation, we find that oppositely driven nonattractive colloids display features characteristic of the simplest model system possessing both interparticle attractions and persistent motion, the driven Ising lattice gas [Katz, Leibowitz, and Spohn, J. Stat. Phys. 34, 497 (1984), 10.1007/BF01018556]. These features include long-ranged correlations in the disordered regime, a critical regime characterized by a change in slope of the particle current with the Péclet number, and fluctuations that grow with system size. By analogy, we suggest that lane formation in the driven colloid system is a phase transition in the macroscopic limit, but that macroscopic phase separation would not occur in finite time upon starting from disordered initial conditions.

Numerical analysis of wet separation of particles by density differences

NASA Astrophysics Data System (ADS)

Markauskas, D.; Kruggel-Emden, H.

2017-07-01

Wet particle separation is widely used in mineral processing and plastic recycling to separate mixtures of particulate materials into further usable fractions due to density differences. This work presents efforts aiming to numerically analyze the wet separation of particles with different densities. In the current study the discrete element method (DEM) is used for the solid phase while the smoothed particle hydrodynamics (SPH) is used for modeling of the liquid phase. The two phases are coupled by the use of a volume averaging technique. In the current study, simulations of spherical particle separation were performed. In these simulations, a set of generated particles with two different densities is dropped into a rectangular container filled with liquid. The results of simulations with two different mixtures of particles demonstrated how separation depends on the densities of particles.

Perspective: Aerosol microphysics: From molecules to the chemical physics of aerosols

NASA Astrophysics Data System (ADS)

Bzdek, Bryan R.; Reid, Jonathan P.

2017-12-01

Aerosols are found in a wide diversity of contexts and applications, including the atmosphere, pharmaceutics, and industry. Aerosols are dispersions of particles in a gas, and the coupling of the two phases results in highly dynamic systems where chemical and physical properties like size, composition, phase, and refractive index change rapidly in response to environmental perturbations. Aerosol particles span a wide range of sizes from 1 nm to tens of micrometres or from small molecular clusters that may more closely resemble gas phase molecules to large particles that can have similar qualities to bulk materials. However, even large particles with finite volumes exhibit distinct properties from the bulk condensed phase, due in part to their higher surface-to-volume ratio and their ability to easily access supersaturated solute states inaccessible in the bulk. Aerosols represent a major challenge for study because of the facile coupling between the particle and gas, the small amounts of sample available for analysis, and the sheer breadth of operative processes. Time scales of aerosol processes can be as short as nanoseconds or as long as years. Despite their very different impacts and applications, fundamental chemical physics processes serve as a common theme that underpins our understanding of aerosols. This perspective article discusses challenges in the study of aerosols and highlights recent chemical physics advancements that have enabled improved understanding of these complex systems.

Percolation

NASA Astrophysics Data System (ADS)

Dã¡Vila, Alã¡N.; Escudero, Christian; López, Jorge, , Dr.

2004-10-01

Several methods have been developed in order to study phase transitions in nuclear fragmentation. The one used in this research is Percolation. This method allows us to adjust resulting data to heavy ion collisions experiments. In systems, such as atomic nuclei or molecules, energy is put into the system. The system's particles move away from each other until their links are broken. Some particles will still be linked. The fragments' distribution is found to be a power law. We are witnessing then a critical phenomenon. In our model the particles are represented as occupied spaces in a cubical array. Each particle has a bound to each one of its 6 neighbors. Each bound can be active if the two particles are linked or inactive if they are not. When two or more particles are linked, a fragment is formed. The probability for a specific link to be broken cannot be calculated, so the probability for a bound to be active is going to be used as parameter when trying to adjust the data. For a given probability p several arrays are generated. The fragments are counted. The fragments' distribution is then adjusted to a power law. The probability that generates the better fit is going to be the critical probability that indicates a phase transition. The better fit is found by seeking the fragments' distribution that gives the minimal chi squared when compared to a power law. As additional evidence of criticality the entropy and normalized variance of the mass are also calculated for each probability.

String-fluid transition in systems with aligned anisotropic interactions.

PubMed

Brandt, P C; Ivlev, A V; Morfill, G E

2010-06-21

Systems with aligned anisotropic interactions between particles exhibit numerous phase transitions. A remarkable example of the fluid phase transition occurring in such systems is the formation of particle strings--the so-called "string" or "chain" fluids. We employ an approach based on the Ornstein-Zernike (OZ) equation, which allows us to calculate structural properties of fluids with aligned anisotropic interactions. We show that the string-fluid transition can be associated with the bifurcation of the "isotropic" correlation length into two distinct scales which characterize the longitudinal and transverse order in string fluids and, hence, may be used as a fingerprint of this transition. The comparison of the proposed OZ theory with the Monte Carlo simulations reveals fairly good agreement.

Method of phase space beam dilution utilizing bounded chaos generated by rf phase modulation

DOE PAGES

Pham, Alfonse N.; Lee, S. Y.; Ng, K. Y.

2015-12-10

This paper explores the physics of chaos in a localized phase-space region produced by rf phase modulation applied to a double rf system. The study can be exploited to produce rapid particle bunch broadening exhibiting longitudinal particle distribution uniformity. Hamiltonian models and particle-tracking simulations are introduced to understand the mechanism and applicability of controlled particle diffusion. When phase modulation is applied to the double rf system, regions of localized chaos are produced through the disruption and overlapping of parametric resonant islands and configured to be bounded by well-behaved invariant tori to prevent particle loss. The condition of chaoticity and themore » degree of particle dilution can be controlled by the rf parameters. As a result, the method has applications in alleviating adverse space-charge effects in high-intensity beams, particle bunch distribution uniformization, and industrial radiation-effects experiments.« less

Interaction for solitary waves in coasting charged particle beams

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

Liu, Shi-Wei; Hong, Xue-Ren; Shi, Yu-Ren

2014-03-15

By using the extended Poincare-Lighthill-Kuo perturbation method, the collision of solitary waves in a coasting charged particle beams is studied. The results show that the system admits a solution with two solitary waves, which move in opposite directions and can be described by two Korteweg-deVries equation in small-amplitude limit. The collision of two solitary waves is elastic, and after the interaction they preserve their original properties. Then the weak phase shift in traveling direction of collision between two solitary waves is derived explicitly.

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

Parab, Niranjan D.; Hudspeth, Matthew; Claus, Ben

Granular materials are widely used to resist impact and blast. Under these dynamic loadings, the constituent particles in the granular system fracture. To study the fracture mechanisms in brittle particles under dynamic compressive loading, a high speed X-ray phase contrast imaging setup was synchronized with a Kolsky bar apparatus. Controlled compressive loading was applied on two contacting particles using the Kolsky bar apparatus and fracture process was captured using the high speed X-ray imaging setup. Five different particles were investigated: soda-lime glass, polycrystalline silica (silicon dioxide), polycrystalline silicon, barium titanate glass, and yttrium stabilized zirconia. For both soda lime glassmore » and polycrystalline silica particles, one of the particles fragmented explosively, thus breaking into many small pieces. For Silicon and barium titanate glass particles, a finite number of cracks were observed in one of the particles causing it to fracture. For yttrium stabilized zirconia particles, a single meridonial crack developed in one of the particles, breaking it into two parts.« less

Nanoparticle growth by particle-phase chemistry

NASA Astrophysics Data System (ADS)

Apsokardu, Michael J.; Johnston, Murray V.

2018-02-01

The ability of particle-phase chemistry to alter the molecular composition and enhance the growth rate of nanoparticles in the 2-100 nm diameter range is investigated through the use of a kinetic growth model. The molecular components included are sulfuric acid, ammonia, water, a non-volatile organic compound, and a semi-volatile organic compound. Molecular composition and growth rate are compared for particles that grow by partitioning alone vs. those that grow by a combination of partitioning and an accretion reaction in the particle phase between two organic molecules. Particle-phase chemistry causes a change in molecular composition that is particle diameter dependent, and when the reaction involves semi-volatile molecules, the particles grow faster than by partitioning alone. These effects are most pronounced for particles larger than about 20 nm in diameter. The modeling results provide a fundamental basis for understanding recent experimental measurements of the molecular composition of secondary organic aerosol showing that accretion reaction product formation increases linearly with increasing aerosol volume-to-surface-area. They also allow initial estimates of the reaction rate constants for these systems. For secondary aerosol produced by either OH oxidation of the cyclic dimethylsiloxane (D5) or ozonolysis of β-pinene, oligomerization rate constants on the order of 10-3 to 10-1 M-1 s-1 are needed to explain the experimental results. These values are consistent with previously measured rate constants for reactions of hydroperoxides and/or peroxyacids in the condensed phase.

Rotavirus-like particles primary recovery from insect cells in aqueous two-phase systems.

PubMed

Benavides, Jorge; Mena, Jimmy A; Cisneros-Ruiz, Mayra; Ramírez, Octavio T; Palomares, Laura A; Rito-Palomares, Marco

2006-09-14

Virus-like particles have a wide range of applications, including vaccination, gene therapy, and even as nanomaterials. Their successful utilization depends on the availability of selective and scalable methods of product recovery and purification that integrate effectively with upstream operations. In this work, a strategy based on aqueous two phase system (ATPS) was developed for the recovery of double-layered rotavirus-like particles (dlRLP) produced by the insect cell-baculovirus expression system. Polyethylene glycol (PEG) molecular mass, PEG and salt concentrations, and volume ratio (Vr, volume of top phase/volume of bottom phase) were evaluated in order to determine the conditions where dlRLP and contaminants concentrated to opposite phases. Two-stage ATPS consisting of PEG 400-phosphate with a Vr of 13.0 and a tie-line length (TLL) of 35% (w/w) at pH 7.0 provided the best conditions for processing highly concentrated crude extract from disrupted cells (dlRLP concentration of 5 microg/mL). In such conditions intracellular dlRLP accumulated in the top phase (recovery of 90%), whereas cell debris remained in the interface. Furthermore, dlRLP from culture supernatants accumulated preferentially in the interface (recovery of 82%) using ATPS with a Vr of 1.0, pH of 7.0, PEG 3350 (10.1%, w/w) and phosphate (10.9%, w/w). The purity of dlRLP from culture supernatant increased up to 55 times after ATPS. The use of ATPS resulted in a recovery process that produced dlRLP with a purity between 6 and 11% and an overall product yield of 85% (w/w), considering purification from intracellular and extracellular dlRLP. Overall, the strategy proposed in this study is simpler than traditional methods for recovering dlRLP, and represents a scalable and economically viable alternative for production processes of vaccines against rotavirus infection with significant scope for generic commercial application.

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01535a

Foaming in simulated radioactive waste.

PubMed

Bindal, S K; Nikolov, A D; Wasan, D T; Lambert, D P; Koopman, D C

2001-10-01

Radioactive waste treatment process usually involves concentration of radionuclides before waste can be immobilized by storing it in stable solid form. Foaming is observed at various stages of waste processing like SRAT (sludge receipt and adjustment tank) and melter operations. This kind of foaming greatly limits the process efficiency. The foam encountered can be characterized as a three-phase foam that incorporates finely divided solids (colloidal particles). The solid particles stabilize foaminess in two ways: by adsorption of biphilic particles at the surfaces of foam lamella and by layering of particles trapped inside the foam lamella. During bubble generation and rise, solid particles organize themselves into a layered structure due to confinement inside the foam lamella, and this structure provides a barrier against the coalescence of the bubbles, thereby causing foaming. Our novel capillary force balance apparatus was used to examine the particle-particle interactions, which affect particle layer formation in the foam lamella. Moreover, foaminess shows a maximum with increasing solid particle concentration. To explain the maximum in foaminess, a study was carried out on the simulated sludge, a non-radioactive simulant of the radioactive waste sludge at SRS, to identify the parameters that affect the foaming in a system characterized by the absence of surface-active agents. This three-phase foam does not show any foam stability unlike surfactant-stabilized foam. The parameters investigated were solid particle concentration, heating flux, and electrolyte concentration. The maximum in foaminess was found to be a net result of two countereffects that arise due to particle-particle interactions: structural stabilization and depletion destabilization. It was found that higher electrolyte concentration causes a reduction in foaminess and leads to a smaller bubble size. Higher heating fluxes lead to greater foaminess due to an increased rate of foam lamella generation in the sludge system.

Complete hyperentangled-Bell-state analysis for photonic qubits assisted by a three-level Λ-type system

NASA Astrophysics Data System (ADS)

Wang, Tie-Jun; Wang, Chuan

2016-01-01

Hyperentangled Bell-state analysis (HBSA) is an essential method in high-capacity quantum communication and quantum information processing. Here by replacing the two-qubit controlled-phase gate with the two-qubit SWAP gate, we propose a scheme to distinguish the 16 hyperentangled Bell states completely in both the polarization and the spatial-mode degrees of freedom (DOFs) of two-photon systems. The proposed scheme reduces the use of two-qubit interaction which is fragile and cumbersome, and only one auxiliary particle is required. Meanwhile, it reduces the requirement for initializing the auxiliary particle which works as a temporary quantum memory, and does not have to be actively controlled or measured. Moreover, the state of the auxiliary particle remains unchanged after the HBSA operation, and within the coherence time, the auxiliary particle can be repeatedly used in the next HBSA operation. Therefore, the engineering complexity of our HBSA operation is greatly simplified. Finally, we discuss the feasibility of our scheme with current technologies.

On the Impact of Collisions on Particle Dispersion in a Shear Layer

NASA Astrophysics Data System (ADS)

Soteriou, Marios; Mosley, John

1999-11-01

In this numerical study the impact of collisions on the evolution of a dispersed phase in a gaseous shear layer flow is investigated. The disperse phase consists of spherical particles which may experience two modes of collision: In the first, the collision has no effect on the particles themselves and is simply registered for accounting purposes. In the second, the particles coalesce upon impact into a larger spherical particle. The two phase mixture is assumed to be dilute and hence the impact of the disperse phase on the carrier phase is disabled. The unaveraged evolution of the carrier phase is simulated by using the Lagrangian Vortex Element Method while that of the dispersed phase by computing the trajectories of individual particles. Thus the numerical model is totally Lagrangian and grid-free. Numerical results indicate that collisions are maximized at intermediate Stokes numbers and that for a given volume fraction they increase as the particles get smaller. Coalescence of particles tends to reduce the overall number of collisions in the flow and alters their locus, shifting them predominately upstream. It also has a dramatic impact on dispersion increasing it substantially for the cases that experience even moderate number of collisions.

A Phase-Space Approach to Collisionless Stellar Systems Using a Particle Method

NASA Astrophysics Data System (ADS)

Hozumi, Shunsuke

1997-10-01

A particle method for reproducing the phase space of collisionless stellar systems is described. The key idea originates in Liouville's theorem, which states that the distribution function (DF) at time t can be derived from tracing necessary orbits back to t = 0. To make this procedure feasible, a self-consistent field (SCF) method for solving Poisson's equation is adopted to compute the orbits of arbitrary stars. As an example, for the violent relaxation of a uniform density sphere, the phase-space evolution generated by the current method is compared to that obtained with a phase-space method for integrating the collisionless Boltzmann equation, on the assumption of spherical symmetry. Excellent agreement is found between the two methods if an optimal basis set for the SCF technique is chosen. Since this reproduction method requires only the functional form of initial DFs and does not require any assumptions to be made about the symmetry of the system, success in reproducing the phase-space evolution implies that there would be no need of directly solving the collisionless Boltzmann equation in order to access phase space even for systems without any special symmetries. The effects of basis sets used in SCF simulations on the reproduced phase space are also discussed.

Ignition and combustion characteristics of metallized propellants, phase 2

NASA Technical Reports Server (NTRS)

Mueller, D. C.; Turns, S. R.

1994-01-01

Experimental and analytical investigations focusing on aluminum/hydrocarbon gel droplet secondary atomization and its effects on gel-fueled rocket engine performance are being conducted. A single laser sheet sizing/velocimetry diagnostic technique, which should eliminate sizing bias in the data collection process, has been designed and constructed to overcome limitations of the two-color forward-scatter technique used in previous work. Calibration of this system is in progress and the data acquisition/validation code is being written. Narrow-band measurements of radiant emission, discussed in previous reports, will be used to determine if aluminum ignition has occurred in a gel droplet. A one-dimensional model of a gel-fueled rocket combustion chamber, described in earlier reports, has been exercised in conjunction with a two-dimensional, two-phase nozzle code to predict the performance of an aluminum/hydrocarbon fueled engine. Estimated secondary atomization effects on propellant burnout distance, condensed particle radiation losses to the chamber walls, and nozzle two phase flow losses are also investigated. Calculations indicate that only modest secondary atomization is required to significantly reduce propellant burnout distances, aluminum oxide residual size, and radiation heat losses. Radiation losses equal to approximately 2-13 percent of the energy released during combustion were estimated, depending on secondary atomization intensity. A two-dimensional, two-phase nozzle code was employed to estimate radiation and nozzle two phase flow effects on overall engine performance. Radiation losses yielded a one percent decrease in engine Isp. Results also indicate that secondary atomization may have less effect on two-phase losses than it does on propellant burnout distance and no effect if oxide particle coagulation and shear induced droplet breakup govern oxide particle size. Engine Isp was found to decrease from 337.4 to 293.7 seconds as gel aluminum mass loading was varied from 0-70 wt percent. Engine Isp efficiencies, accounting for radiation and two phase flow effects, on the order of 0.946 were calculated for a 60 wt percent gel, assuming a fragmentation ratio of five.

Synthesis, characterization and application of noble-metal nanoparticles and their Langmuir films

NASA Astrophysics Data System (ADS)

Sun, Yuan

Noble-metal nanoparticles and their Langmuir films have attracted remarkable research interest due to their unique properties and potential applications in catalysis, hydrogen storage materials, and optical, magnetic and electronic devices. The properties of nanoparticles are affected not only by the size, but also by the shape. In this dissertation, highly crystalline rectangular palladium nanoparticles have been successfully synthesized via the reduction of K2PdCl 4 by ascorbic acid in the presence of a surfactant cetyltrimethylammonium bromide under room temperature. Trisodium citrate is a key factor for high yield of nanocubes and nanorods. The average length and aspect ratio of the nanorods can be tuned by varying the concentration of trisodium citrate. These rectangular nanoparticles were stable for months as colloids. However, after being exposed to air for about 100 days, the dry nanoparticles on TEM grids were oxidized to form shells of 1.6--3.8 nm thick covering the nanoparticle surfaces. This procedure is conducted under room temperature and requires no seed-mediated growth or nanoporous rigid template so that it is easier and more practical for large-scale synthesis. Alkanethiolate palladium nanoparticles can be synthesized by two routes: a one-phase method and a two-phase method. In order to understand the electronic and chemical properties of dodecanethiolate palladium nanoparticles, a systematic comparison between the particles obtained by these two synthetic techniques was conducted. From transmission electron microscopy (TEM) we determined that the particle sizes were 46 +/- 10 A and 20 +/- 5 A for the 1- and 2-phase particles, respectively. Electron diffraction confirmed that their structure was face-centered cubic (FCC). High-resolution TEM (HRTEM) showed that the 1-phase particles had an ordered core surrounded by a disordered shell structure while the 2-phase particles appeared to be crystalline throughout. The particles were also analyzed with extended x-ray absorption fine structure (EXAFS) spectroscopy. A cuboctahedral FCC model was used to fit the data which implied particle sizes of less than 10 A for both the 1- and 2-phase particles. The discrepancy between the two techniques was attributed to the presence of disordered phase which we presumed was composed of Pd-S compounds. Compared with the bulk palladium, lattice expansion was observed in both 1- and 2-phase particles by electron diffraction, HRTEM and EXAFS. At the air/water interface, a uniform film which produced surface pressure/area isotherms could only be obtained from the 2-phase particles. The 1-phase particles did not wet the water surface. X-ray reflectivity (XR) data indicated that the Langmuir monolayer of the 2-phase particles was only 13 A thick. TEM revealed the diameter of the particles in this layer to be 23 A; hence the particles assumed an oblate structure after spreading. EXAFS examination of a stack of 750 Langmuir monolayers indicated far fewer Pd-S compounds, which may have dissolved in the water. The data were consistent with a model of a monolayer of truncated cuboctahedron Pd particles which were 7 A thick and 19 A in diameter. The differences between the decanethiolate gold nanoparticles synthesized by the same two methods were also investigated. The nanoparticles were compared by TEM, XR, EXAFS, x-ray powder diffraction (XRD), thermal gravimetric analysis (TGA), and time-of-flight secondary ion mass spectrometry (TOF-SIMS). The mean nanoparticles sizes obtained by EXAFS and XRD were found to be smaller than those by the TEM measurements due to the structural disorder and multiple twinning in the nanoparticles. The one-phase particles were found by EXAFS to be smaller and had higher grafting density of thiol chains than the two-phase particles. We attributed these differences to the enhanced disorder of the one-phase particles. At the air-water interface, the one-phase particles did not spread, while the two-phase particles spread and formed Langmuir films, which collapsed and folded into multilayer films upon further compression. It has recently been suggested that oblate nanoparticles can form effective catalysts due to the many planes available to adsorption of the reacting species. Since we found the thiolate palladium and gold nanoparticles made from two-phase method both changed their shape to oblate, we proposed to try these particle platelets in order to see if they would enhance the performance of PEM fuel cells where numerous catalytic processes take place. We found that these particles could potentially enhance the power output by as much as 440%, provided that they are self-assembled into a Langmuir monolayer.

Perspective: The Asakura Oosawa model: a colloid prototype for bulk and interfacial phase behavior.

PubMed

Binder, Kurt; Virnau, Peter; Statt, Antonia

2014-10-14

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but when non-adsorbing polymers are added to the solution a depletion attraction (of entropic origin) is created. Since 60 years the Asakura-Oosawa model, which simply describes the polymers as ideal soft spheres, is an archetypical description for the statistical thermodynamics of such systems, accounting for many features of real colloid-polymer mixtures very well. While the fugacity of the polymers (which controls their concentration in the solution) plays a role like inverse temperature, the size ratio of polymer versus colloid radii acts as a control parameter to modify the phase diagram: when this ratio is large enough, a vapor-liquid like phase separation occurs at low enough colloid packing fractions, up to a triple point where a liquid-solid two-phase coexistence region takes over. For smaller size ratios, the critical point of the phase separation and the triple point merge, resulting in a single two-phase coexistence region between fluid and crystalline phases (of "inverted swan neck"-topology, with possibly a hidden metastable phase separation). Furthermore, liquid-crystalline ordering may be found if colloidal particles of non-spherical shape (e.g., rod like) are considered. Also interactions of the particles with solid surfaces should be tunable (e.g., walls coated by polymer brushes), and interfacial phenomena are particularly interesting experimentally, since fluctuations can be studied in the microscope on all length scales, down to the particle level. Due to its simplicity this model has become a workhorse for both analytical theory and computer simulation. Recently, generalizations addressing dynamic phenomena (phase separation, crystal nucleation, etc.) have become the focus of studies.

Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial phase behavior

NASA Astrophysics Data System (ADS)

Binder, Kurt; Virnau, Peter; Statt, Antonia

2014-10-01

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but when non-adsorbing polymers are added to the solution a depletion attraction (of entropic origin) is created. Since 60 years the Asakura-Oosawa model, which simply describes the polymers as ideal soft spheres, is an archetypical description for the statistical thermodynamics of such systems, accounting for many features of real colloid-polymer mixtures very well. While the fugacity of the polymers (which controls their concentration in the solution) plays a role like inverse temperature, the size ratio of polymer versus colloid radii acts as a control parameter to modify the phase diagram: when this ratio is large enough, a vapor-liquid like phase separation occurs at low enough colloid packing fractions, up to a triple point where a liquid-solid two-phase coexistence region takes over. For smaller size ratios, the critical point of the phase separation and the triple point merge, resulting in a single two-phase coexistence region between fluid and crystalline phases (of "inverted swan neck"-topology, with possibly a hidden metastable phase separation). Furthermore, liquid-crystalline ordering may be found if colloidal particles of non-spherical shape (e.g., rod like) are considered. Also interactions of the particles with solid surfaces should be tunable (e.g., walls coated by polymer brushes), and interfacial phenomena are particularly interesting experimentally, since fluctuations can be studied in the microscope on all length scales, down to the particle level. Due to its simplicity this model has become a workhorse for both analytical theory and computer simulation. Recently, generalizations addressing dynamic phenomena (phase separation, crystal nucleation, etc.) have become the focus of studies.

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.

Negative DC corona discharge current characteristics in a flowing two-phase (air + suspended smoke particles) fluid

NASA Astrophysics Data System (ADS)

Berendt, Artur; Domaszka, Magdalena; Mizeraczyk, Jerzy

2017-04-01

The electrical characteristics of a steady-state negative DC corona discharge in a two-phase fluid (air with suspended cigarette smoke particles) flowing along a chamber with a needle-to-plate electrode arrangement were experimentally investigated. The two-phase flow was transverse in respect to the needle-to-plate axis. The velocity of the transverse two-phase flow was limited to 0.8 m/s, typical of the electrostatic precipitators. We found that three discharge current modes of the negative corona exist in the two-phase (air + smoke particles) fluid: the Trichel pulses mode, the "Trichel pulses superimposed on DC component" mode and the DC component mode, similarly as in the corona discharge in air (a single-phase fluid). The shape of Trichel pulses in the air + suspended particles fluid is similar to that in air. However, the Trichel pulse amplitudes are higher than those in "pure" air while their repetition frequency is lower. As a net consequence of that the averaged corona discharge current in the two-phase fluid is lower than in "pure" air. It was also found that the average discharge current decreases with increasing suspended particle concentration. The calculations showed that the dependence of the average negative corona current (which is a macroscopic corona discharge parameter) on the particle concentration can be explained by the particle-concentration dependencies of the electric charge of Trichel pulse and the repetition frequency of Trichel pulses, both giving a microscopic insight into the electrical phenomena in the negative corona discharge. Our investigations showed also that the average corona discharge current in the two-phase fluid is almost unaffected by the transverse fluid flow up to a velocity of 0.8 m/s. Contribution to the topical issue "The 15th International Symposium on High Pressure Low Temperature Plasma Chemistry (HAKONE XV)", edited by Nicolas Gherardi and Tomáš Hoder

shock driven instability of a multi-phase particle-gas system

NASA Astrophysics Data System (ADS)

McFarland, Jacob; Black, Wolfgang; Dahal, Jeevan; Morgan, Brandon

2015-11-01

A computational study of a shock driven instability of a multiphse particle-gas system is presented. This instability can evolve in a similar fashion to the Richtmyer-Meshkov (RM) instability, but has addition parameters to be considered. Particle relaxation times, and density differences of the gas and particle-gas system can be adjusted to produce results which are different from the classical RM instability. We will show simulation results from the Ares code, developed at Lawrence Livermore National Laboratory, which uses a particle-in-cell approach to study the effects of the particle-gas system parameters. Mixing parameters will be presented to highlight the suppression of circulation and gas mixing by the particle phase.

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.

Analytical and numerical studies of Bose-Fermi mixtures in a one-dimensional harmonic trap

NASA Astrophysics Data System (ADS)

Dehkharghani, A. S.; Bellotti, F. F.; Zinner, N. T.

2017-07-01

In this paper we study a mixed system of bosons and fermions with up to six particles in total. All particles are assumed to have the same mass. The two-body interactions are repulsive and are assumed to have equal strength in both the Bose-Bose and the Fermi-Boson channels. The particles are confined externally by a harmonic oscillator one-body potential. For the case of four particles, two identical fermions and two identical bosons, we focus on the strongly interacting regime and analyze the system using both an analytical approach and density matrix renormalization group calculations using a discrete version of the underlying continuum Hamiltonian. This provides us with insight into both the ground state and the manifold of excited states that are almost degenerate for large interaction strength. Our results show great variation in the density profiles for bosons and fermions in different states for strongly interacting mixtures. By moving to slightly larger systems, we find that the ground state of balanced mixtures of four to six particles tends to separate bosons and fermions for strong (repulsive) interactions. On the other hand, in imbalanced Bose-Fermi mixtures we find pronounced odd-even effects in systems of five particles. These few-body results suggest that question of phase separation in one-dimensional confined mixtures are very sensitive to system composition, both for the ground state and the excited states.

Effect of polydispersity, bimodality, and aspect ratio on the phase behavior of colloidal platelet suspensions

NASA Astrophysics Data System (ADS)

Martínez-Ratón, Yuri; Velasco, Enrique

2012-10-01

We use a fundamental-measure density functional for hard board-like polydisperse particles, in the restricted-orientation approximation, to explain the phase behaviour of platelet colloidal suspensions studied in recent experiments. In particular, we focus our attention on the behavior of the total packing fraction of the mixture, η, in the region of two-phase isotropic-nematic coexistence as a function of mean aspect ratio, polydispersity, and fraction of total volume γ occupied by the nematic phase. In our model, platelets are polydisperse in the square section, of side length σ, but have constant thickness L (and aspect ratio κ ≡ L/⟨σ⟩ < 1, with ⟨σ⟩ the mean side length). Good agreement between our theory and recent experiments is obtained by mapping the real system onto an effective one, with excluded volume interactions but with thicker particles (due to the presence of long-ranged repulsive interactions between platelets). The effect of polydispersity in both shape and particle size has been taken into account by using a size distribution function with an effective mean-square deviation that depends on both polydispersities. We also show that the bimodality of the size distribution function is required to correctly describe the huge two-phase coexistence gap and the nonlinearity of the function γ(η), two important features that these colloidal suspensions exhibit.

Symmetry-enriched Bose-Einstein condensates in a spin-orbit-coupled bilayer system

NASA Astrophysics Data System (ADS)

Cheng, Jia-Ming; Zhou, Xiang-Fa; Zhou, Zheng-Wei; Guo, Guang-Can; Gong, Ming

2018-01-01

We consider the fate of Bose-Einstein condensation with time-reversal symmetry and inversion symmetry in a spin-orbit-coupled bilayer system. When these two symmetry operators commute, all the single-particle bands are exactly twofold degenerate in the momentum space. The scattering in the twofold-degenerate rings can relax the spin-momentum locking effect from spin-orbit-coupling interaction and thus can realize the spin-polarized plane-wave phase even when the interparticle interaction dominates. When these two operators anticommute, the lowest two bands may have the same minimal energy, but with totally different spin structures. As a result, the competition between different condensates in these two energetically degenerate rings can give rise to different stripe phases with atoms condensed at two or four collinear momenta. We find that the crossover between these two cases is accompanied by the excited band condensation when the interference energy can overcome the increased single-particle energy in the excited band. This effect is not based on strong interaction and thus can be realized even with moderate interaction strength.

Random pinning elucidates the nature of melting transition in two-dimensional core-softened potential system

NASA Astrophysics Data System (ADS)

Tsiok, E. N.; Fomin, Y. D.; Ryzhov, V. N.

2018-01-01

Despite about forty years of investigations, the nature of the melting transition in two dimensions is not completely clear. In the framework of the most popular Berezinskii-Kosterlitz-Thouless-Halperin-Nelson-Young (BKTHNY) theory, 2D systems melt through two continuous Berezinskii-Kosterlitz-Thouless (BKT) transitions with intermediate hexatic phase. The conventional first-order transition is also possible. On the other hand, recently on the basis of computer simulations the new melting scenario was proposed with continuous BKT type solid-hexatic transition and first order hexatic-liquid transition. However, in the simulations the hexatic phase is extremely narrow that makes its study difficult. In the present paper, we propose to apply the random pinning to investigate the hexatic phase in more detail. The results of molecular dynamics simulations of two dimensional system having core-softened potentials with narrow repulsive step which is similar to the soft disk system are outlined. The system has a small fraction of pinned particles giving quenched disorder. Random pinning widens the hexatic phase without changing the melting scenario and gives the possibility to study the behavior of the diffusivity and order parameters in the vicinity of the melting transition and inside the hexatic phase.

Under What Conditions Can Equilibrium Gas-Particle Partitioning Be Expected to Hold in the Atmosphere?

PubMed

Mai, Huajun; Shiraiwa, Manabu; Flagan, Richard C; Seinfeld, John H

2015-10-06

The prevailing treatment of secondary organic aerosol formation in atmospheric models is based on the assumption of instantaneous gas-particle equilibrium for the condensing species, yet compelling experimental evidence indicates that organic aerosols can exhibit the properties of highly viscous, semisolid particles, for which gas-particle equilibrium may be achieved slowly. The approach to gas-particle equilibrium partitioning is controlled by gas-phase diffusion, interfacial transport, and particle-phase diffusion. Here we evaluate the controlling processes and the time scale to achieve gas-particle equilibrium as a function of the volatility of the condensing species, its surface accommodation coefficient, and its particle-phase diffusivity. For particles in the size range of typical atmospheric organic aerosols (∼50-500 nm), the time scale to establish gas-particle equilibrium is generally governed either by interfacial accommodation or particle-phase diffusion. The rate of approach to equilibrium varies, depending on whether the bulk vapor concentration is constant, typical of an open system, or decreasing as a result of condensation into the particles, typical of a closed system.

Hierarchically self-assembled hexagonal honeycomb and kagome superlattices of binary 1D colloids.

PubMed

Lim, Sung-Hwan; Lee, Taehoon; Oh, Younghoon; Narayanan, Theyencheri; Sung, Bong June; Choi, Sung-Min

2017-08-25

Synthesis of binary nanoparticle superlattices has attracted attention for a broad spectrum of potential applications. However, this has remained challenging for one-dimensional nanoparticle systems. In this study, we investigate the packing behavior of one-dimensional nanoparticles of different diameters into a hexagonally packed cylindrical micellar system and demonstrate that binary one-dimensional nanoparticle superlattices of two different symmetries can be obtained by tuning particle diameter and mixing ratios. The hexagonal arrays of one-dimensional nanoparticles are embedded in the honeycomb lattices (for AB 2 type) or kagome lattices (for AB 3 type) of micellar cylinders. The maximization of free volume entropy is considered as the main driving force for the formation of superlattices, which is well supported by our theoretical free energy calculations. Our approach provides a route for fabricating binary one-dimensional nanoparticle superlattices and may be applicable for inorganic one-dimensional nanoparticle systems.Binary mixtures of 1D particles are rarely observed to cooperatively self-assemble into binary superlattices, as the particle types separate into phases. Here, the authors design a system that avoids phase separation, obtaining binary superlattices with different symmetries by simply tuning the particle diameter and mixture composition.

A numerical study of an axisymmetric two-phase jet with allowance for the after-combustion of particles in the slipstream

NASA Astrophysics Data System (ADS)

Gilinskii, M. M.; Stasenko, A. L.; Tolstov, V. N.

A model is proposed which describes the gas thermodynamics of a nonuniform ideal gas mixture containing an oxidizer and finely dispersed particles, with allowance made for heat transfer between the phases. The results of a numerical study are presented for a supersonic two-phase jet where initially uniform particles are first accelerated, then enter the slipstream, and disappear as a result of oxidation.

Morphology and Optical Properties of Mixed Aerosol Particles

NASA Astrophysics Data System (ADS)

Fard, Mehrnoush M.; Krieger, Ulrich; Rudich, Yinon; Marcolli, Claudia; Peter, Thomas

2016-04-01

Experiments and modeling studies have shown that deliquesced aerosols can exist not only as one-phase system containing organics, inorganic salts and water, but often as two-phase systems consisting of a predominantly organic and a predominantly inorganic aqueous phase (1,2). Recent laboratory studies conducted with model mixtures representing tropospheric aerosols (1,2,3), secondary organic aerosol (SOA) from smog chamber experiments (4), and field measurements (5) suggest that liquid-liquid phase separations (LLPS) is indeed a common phenomenon in mixed organic/ inorganic particles. During LLPS, particles may adopt different morphologies mainly core-shell and partially engulfed. A core-shell configuration will have consequences for heterogeneous chemistry and hygroscopicity and as a result will alter the optical properties of the particles in particular for organic phases containing absorbing molecules, e.g. brown carbon. The primary objective of this project is to establish a method for investigating the morphology of mixed inorganic and absorbing organic compounds of atmospheric relevance and study their radiative properties before, during, and after phase transitions mainly during LLPS. This will be the first study looking into the radiative effect of LLPS in detail. Our ternary model system consist of ammonium sulfate (AS)/ Polyethylene Glycol (PEG)/ and water (H2O). Carminic acid (CA) was added as a proxy for an absorbing organic compound to the system. The behavior of single droplets of above ternary mixture was monitored during relative humidity (RH) cycles using optical microscopy. The same ternary mixture particle was levitated in an electrodynamic balance (EDB) and the change in its absorption properties was measured at varying RH. In addition, Mie-code modeling is used to predict the absorption efficiency of the same ternary system and the result will be compared with the data obtained from EDB experiment. We also intend to determine the occurrence of LLPS in accumulation-sized particles and the change in their absorption using a cavity ring down aerosol spectrometer. If LLPS alters the absorptive properties of the suggested model aerosols significantly, absorption measurements of accumulation mode particles of the same composition would allow proving that LLPS indeed occurs in particles of accumulation mode size. Up to now LLPS has not been studied for particles in this size range. References: 1. Bertram, et al. Atmos. Chem & Phys, 11(21), 10995-11006, 2011.
 2. Krieger, et al. Chemical Society Reviews, 41(19), 6631-6662, 2012 
3. Song, M. et al. Geophys Res Lett, 39(19), 2012b 4. Smith et al. Atmos Chem & Phys, 12(20), 9613- 9628, 2012.
 5. You, Y. et al. Proceedings of the National Academy of Sciences, 109(33), 13188-13193, 2012.

An Interactive Tool for Discrete Phase Analysis in Two-Phase Flows

NASA Technical Reports Server (NTRS)

Dejong, Frederik J.; Thoren, Stephen J.

1993-01-01

Under a NASA MSFC SBIR Phase 1 effort an interactive software package has been developed for the analysis of discrete (particulate) phase dynamics in two-phase flows in which the discrete phase does not significantly affect the continuous phase. This package contains a Graphical User Interface (based on the X Window system and the Motif tool kit) coupled to a particle tracing program, which allows the user to interactively set up and run a case for which a continuous phase grid and flow field are available. The software has been applied to a solid rocket motor problem, to demonstrate its ease of use and its suitability for problems of engineering interest, and has been delivered to NASA Marshall Space Flight Center.

Chromatic patchy particles: Effects of specific interactions on liquid structure

DOE PAGES

Vasilyev, Oleg A.; Tkachenko, Alexei V.; Klumov, Boris A.

2015-07-13

We study the structural and thermodynamic properties of patchy particle liquids, with a special focus on the role of “color,” i.e., specific interactions between individual patches. A possible experimental realization of such “chromatic” interactions is by decorating the particle patches with single-stranded DNA linkers. The complementarity of the linkers can promote selective bond formation between predetermined pairs of patches. By using MD simulations, we compare the local connectivity, the bond orientation order, and other structural properties of the aggregates formed by the “colored” and “colorless” systems. The analysis is done for spherical particles with two different patch arrangements (tetrahedral andmore » cubic). It is found that the aggregated (liquid) phase of the “colorless” patchy particles is better connected, denser and typically has stronger local order than the corresponding “colored” one. This, in turn, makes the colored liquid less stable thermodynamically. Specifically, we predict that in a typical case the chromatic interactions should increase the relative stability of the crystalline phase with respect to the disordered liquid, thus expanding its region in the phase diagram.« less

Dynamical stability of slip-stacking particles

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

Eldred, Jeffrey; Zwaska, Robert

2014-09-01

We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

A compressible two-phase model for dispersed particle flows with application from dense to dilute regimes

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

McGrath, Thomas P., E-mail: thomas.p.mcgrath@navy.mil; St Clair, Jeffrey G.; Department of Mechanical and Aerospace Engineering, University of Florida, 231 MAE-A, P.O. Box 116250, Gainesville, Florida 32611

2016-05-07

Multiphase flows are present in many important fields ranging from multiphase explosions to chemical processing. An important subset of multiphase flow applications involves dispersed materials, such as particles, droplets, and bubbles. This work presents an Eulerian–Eulerian model for multiphase flows containing dispersed particles surrounded by a continuous media such as air or water. Following a large body of multiphase literature, the driving force for particle acceleration is modeled as a direct function of both the continuous-phase pressure gradient and the gradient of intergranular stress existing within the particle phase. While the application of these two components of driving force ismore » well accepted in much of the literature, other models exist in which the particle-phase pressure gradient itself drives particle motion. The multiphase model treats all phases as compressible and is derived to ensure adherence to the 2nd Law of Thermodynamics. The governing equations are presented and discussed, and a characteristic analysis shows the model to be hyperbolic, with a degeneracy in the case that the intergranular stress, which is modeled as a configuration pressure, is zero. Finally, results from a two sample problems involving shock-induced particle dispersion are presented. The results agree well with experimental measurements, providing initial confidence in the proposed model.« less

Helical structures in vertically aligned dust particle chains in a complex plasma

NASA Astrophysics Data System (ADS)

Hyde, Truell W.; Kong, Jie; Matthews, Lorin S.

2013-05-01

Self-assembly of structures from vertically aligned, charged dust particle bundles within a glass box placed on the lower, powered electrode of a Gaseous Electronics Conference rf reference cell were produced and examined experimentally. Self-organized formation of one-dimensional vertical chains, two-dimensional zigzag structures, and three-dimensional helical structures of triangular, quadrangular, pentagonal, hexagonal, and heptagonal symmetries are shown to occur. System evolution is shown to progress from a one-dimensional chain structure, through a zigzag transition to a two-dimensional, spindlelike structure, and then to various three-dimensional, helical structures exhibiting multiple symmetries. Stable configurations are found to be dependent upon the system confinement, γ2=ω0h/ω0v2 (where ω0h,v are the horizontal and vertical dust resonance frequencies), the total number of particles within a bundle, and the rf power. For clusters having fixed numbers of particles, the rf power at which structural phase transitions occur is repeatable and exhibits no observable hysteresis. The critical conditions for these structural phase transitions as well as the basic symmetry exhibited by the one-, two-, and three-dimensional structures that subsequently develop are in good agreement with the theoretically predicted configurations of minimum energy determined employing molecular dynamics simulations for charged dust particles confined in a prolate, spheroidal potential as presented theoretically by Kamimura and Ishihara [Kamimura and Ishihara, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.85.016406 85, 016406 (2012)].

Magnetic Hysteresis in Nanocomposite Films Consisting of a Ferromagnetic AuCo Alloy and Ultrafine Co Particles

PubMed Central

Chinni, Federico; Spizzo, Federico; Montoncello, Federico; Mattarello, Valentina; Maurizio, Chiara; Mattei, Giovanni; Del Bianco, Lucia

2017-01-01

One fundamental requirement in the search for novel magnetic materials is the possibility of predicting and controlling their magnetic anisotropy and hence the overall hysteretic behavior. We have studied the magnetism of Au:Co films (~30 nm thick) with concentration ratios of 2:1, 1:1, and 1:2, grown by magnetron sputtering co-deposition on natively oxidized Si substrates. They consist of a AuCo ferromagnetic alloy in which segregated ultrafine Co particles are dispersed (the fractions of Co in the AuCo alloy and of segregated Co increase with decreasing the Au:Co ratio). We have observed an unexpected hysteretic behavior characterized by in-plane anisotropy and crossed branches in the loops measured along the hard magnetization direction. To elucidate this phenomenon, micromagnetic calculations have been performed for a simplified system composed of two exchange-coupled phases: a AuCo matrix surrounding a Co cluster, which represents an aggregate of particles. The hysteretic features are qualitatively well reproduced provided that the two phases have almost orthogonal anisotropy axes. This requirement can be plausibly fulfilled assuming a dominant magnetoelastic character of the anisotropy in both phases. The achieved conclusions expand the fundamental knowledge on nanocomposite magnetic materials, offering general guidelines for tuning the hysteretic properties of future engineered systems. PMID:28773075

Static and dynamic properties of two-dimensional Coulomb clusters.

PubMed

Ash, Biswarup; Chakrabarti, J; Ghosal, Amit

2017-10-01

We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional confinements across the crossover from solid- to liquid-like behaviors. While static correlations that investigate the translational and bond orientational order in the confinements show the footprints of hexatic-like phase at low temperatures, dynamics of the particles slow down considerably in this phase, reminiscent of a supercooled liquid. Using density correlations, we probe long-lived heterogeneities arising from the interplay of the irregularity in the confinement and long-range Coulomb interactions. The relaxation at multiple time scales show stretched-exponential decay of spatial correlations in irregular traps. Temperature dependence of characteristic time scales, depicting the structural relaxation of the system, show striking similarities with those observed for the glassy systems, indicating that some of the key signatures of supercooled liquids emerge in confinements with lower spatial symmetries.

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

B.B. Rokhman

A two-dimensional stationary model of motion, heat and mass exchange, and chemical reaction of polydisperse coke and ash particles in ascending gas-suspension flow has been constructed with allowance for the turbulent and pseudo turbulent mechanisms of transfer in the dispersed phase. The system of equations that describes motion and heat transfer in the solid phase has been closed at the level of the equations for the second moments of velocity and temperature pulsations, whereas the momentum equations of the carrying medium have been closed using the equation for turbulent gas energy, which allows for the influence of the particles andmore » heterogeneous reactions.« less

Regular expansion solutions for small Peclet number heat or mass transfer in concentrated two-phase particulate systems

NASA Technical Reports Server (NTRS)

Yaron, I.

1974-01-01

Steady state heat or mass transfer in concentrated ensembles of drops, bubbles or solid spheres in uniform, slow viscous motion, is investigated. Convective effects at small Peclet numbers are taken into account by expanding the nondimensional temperature or concentration in powers of the Peclet number. Uniformly valid solutions are obtained, which reflect the effects of dispersed phase content and rate of internal circulation within the fluid particles. The dependence of the range of Peclet and Reynolds numbers, for which regular expansions are valid, on particle concentration is discussed.

Thermodynamics of phase-separating nanoalloys: Single particles and particle assemblies

NASA Astrophysics Data System (ADS)

Fèvre, Mathieu; Le Bouar, Yann; Finel, Alphonse

2018-05-01

The aim of this paper is to investigate the consequences of finite-size effects on the thermodynamics of nanoparticle assemblies and isolated particles. We consider a binary phase-separating alloy with a negligible atomic size mismatch, and equilibrium states are computed using off-lattice Monte Carlo simulations in several thermodynamic ensembles. First, a semi-grand-canonical ensemble is used to describe infinite assemblies of particles with the same size. When decreasing the particle size, we obtain a significant decrease of the solid/liquid transition temperatures as well as a growing asymmetry of the solid-state miscibility gap related to surface segregation effects. Second, a canonical ensemble is used to analyze the thermodynamic equilibrium of finite monodisperse particle assemblies. Using a general thermodynamic formulation, we show that a particle assembly may split into two subassemblies of identical particles. Moreover, if the overall average canonical concentration belongs to a discrete spectrum, the subassembly concentrations are equal to the semi-grand-canonical equilibrium ones. We also show that the equilibrium of a particle assembly with a prescribed size distribution combines a size effect and the fact that a given particle size assembly can adopt two configurations. Finally, we have considered the thermodynamics of an isolated particle to analyze whether a phase separation can be defined within a particle. When studying rather large nanoparticles, we found that the region in which a two-phase domain can be identified inside a particle is well below the bulk phase diagram, but the concentration of the homogeneous core remains very close to the bulk solubility limit.

Measuring Uptake Coefficients and Henry's Law Constants of Gas-Phase Species with Models for Secondary Organic Aerosol

NASA Astrophysics Data System (ADS)

Fairhurst, M. C.; Waring-Kidd, C.; Ezell, M. J.; Finlayson-Pitts, B. J.

2014-12-01

Volatile organic compounds (VOC) are oxidized in the atmosphere and their products contribute to secondary organic aerosol (SOA) formation. These particles have been shown to have effects on visibility, climate, and human health. Current models typically under-predict SOA concentrations from field measurements. Underestimation of these concentrations could be a result of how models treat particle growth. It is often assumed that particles grow via instantaneous thermal equilibrium partitioning between liquid particles and gas-phase species. Recent work has shown that growth may be better represented by irreversible, kinetically limited uptake of gas-phase species onto more viscous, tar-like SOA. However, uptake coefficients for these processes are not known. The goal of this project is to measure uptake coefficients and solubilities for different gases onto models serving as proxies for SOA and determine how they vary based on the chemical composition of the gas and the condensed phase. Experiments were conducted using two approaches: attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy and a flow system coupled to a mass spectrometer. The ATR crystal was coated with the SOA proxy and the gas-phase species introduced via a custom flow system. Uptake of the gas-phase species was characterized by measuring the intensity of characteristic IR bands as a function of time, from which a Henry's law constant and initial estimate of uptake coefficients could be obtained. Uptake coefficients were also measured in a flow system where the walls of the flow tube were coated with the SOA proxy and gas-phase species introduced via a moveable inlet. Uptake coefficients were derived from the decay in gas-phase species measured by mass spectrometry. The results of this work will establish a structure-interaction relationship for uptake of gases into SOA that can be implemented into regional and global models.

Emergence of Collective Motion in a Model of Interacting Brownian Particles.

PubMed

Dossetti, Victor; Sevilla, Francisco J

2015-07-31

By studying a system of Brownian particles that interact among themselves only through a local velocity-alignment force that does not affect their speed, we show that self-propulsion is not a necessary feature for the flocking transition to take place as long as underdamped particle dynamics can be guaranteed. Moreover, the system transits from stationary phases close to thermal equilibrium, with no net flux of particles, to far-from-equilibrium ones exhibiting collective motion, phase coexistence, long-range order, and giant number fluctuations, features typically associated with ordered phases of models where self-propelled particles with overdamped dynamics are considered.

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.

Spin correlations in the {Lambda}{Lambda} and {Lambda}{Lambda}-bar systems generated in relativistic heavy-ion collisions

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

Lyuboshitz, V. L.; Lyuboshitz, V. V., E-mail: Valery.Lyuboshitz@jinr.r

2010-05-15

Spin correlations for the {Lambda}{Lambda} and {Lambda}{Lambda}-bar pairs, generated in relativistic heavy-ion collisions, and related angular correlations at the joint registration of hadronic decays of two hyperons, in which space parity is not conserved, are analyzed. The correlation tensor components can be derived from the double angular distribution of products of two decays by the method of 'moments'. The properties of the 'trace' of the correlation tensor (a sum of three diagonal components), determining the relative fractions of the triplet states and singlet state of respective pairs, are discussed. Spin correlations for two identical particles ({Lambda}{Lambda}) and two nonidentical particlesmore » ({Lambda}{Lambda}-bar) are considered from the viewpoint of the conventional model of one-particle sources. In the framework of this model, correlations vanish at sufficiently large relative momenta. However, under these conditions, in the case of two nonidentical particles ({Lambda}{Lambda}-bar) a noticeable role is played by two-particle annihilation (two-quark, two-gluon) sources, which lead to the difference of the correlation tensor from zero. In particular, such a situation may arise when the system passes through the 'mixed phase.'« less

Nonlinear simulation of the fishbone instability

NASA Astrophysics Data System (ADS)

Idouakass, Malik; Faganello, Matteo; Berk, Herbert; Garbet, Xavier; Benkadda, Sadruddin; PIIM Team; IFS Team; IRFM Team

2014-10-01

We propose to extend the Odblom-Breizman precessional fishbone model to account for both the MagnetoHydroDynamic (MHD) nonlinearity at the q = 1 surface and the nonlinear response of the energetic particles contained within the q = 1 surface. This electromagnetic mode, whose excitation, damping and frequency chirping are determined by the self-consistent interaction between an energetic trapped particle population and the bulk plasma evolution, can induce effective transport and losses for the energetic particles, being them alpha-particles in next-future fusion devices or heated particles in present Tokamaks. The model is reduced to its simplest form, assuming a reduced MHD description for the bulk plasma and a two-dimensional phase-space evolution (gyro and bounce averaged) for deeply trapped energetic particles. Numerical simulations have been performed in order to characterize the mode chirping and saturation, in particular looking at the interplay between the development of phase-space structures and the system dissipation associated to the MHD non-linearities at the resonance locations.

Angle-adjustable density field formulation for the modeling of crystalline microstructure

NASA Astrophysics Data System (ADS)

Wang, Zi-Le; Liu, Zhirong; Huang, Zhi-Feng

2018-05-01

A continuum density field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but challenging issue in modeling the structure and dynamics of a broad range of material systems across variable scales. This generalized phase field crystal-type approach is based upon the complete expansion of particle direct correlation functions and the concept of isotropic tensors. Through applications to the modeling of various two- and three-dimensional crystalline structures, our study demonstrates the capability of bond-angle control in this continuum field theory and its effects on the emergence of ordered phases, and provides a systematic way of performing tunable angle analyses for crystalline microstructures.

A numerical method for shock driven multiphase flow with evaporating particles

NASA Astrophysics Data System (ADS)

Dahal, Jeevan; McFarland, Jacob A.

2017-09-01

A numerical method for predicting the interaction of active, phase changing particles in a shock driven flow is presented in this paper. The Particle-in-Cell (PIC) technique was used to couple particles in a Lagrangian coordinate system with a fluid in an Eulerian coordinate system. The Piecewise Parabolic Method (PPM) hydrodynamics solver was used for solving the conservation equations and was modified with mass, momentum, and energy source terms from the particle phase. The method was implemented in the open source hydrodynamics software FLASH, developed at the University of Chicago. A simple validation of the methods is accomplished by comparing velocity and temperature histories from a single particle simulation with the analytical solution. Furthermore, simple single particle parcel simulations were run at two different sizes to study the effect of particle size on vorticity deposition in a shock-driven multiphase instability. Large particles were found to have lower enstrophy production at early times and higher enstrophy dissipation at late times due to the advection of the particle vorticity source term through the carrier gas. A 2D shock-driven instability of a circular perturbation is studied in simulations and compared to previous experimental data as further validation of the numerical methods. The effect of the particle size distribution and particle evaporation is examined further for this case. The results show that larger particles reduce the vorticity deposition, while particle evaporation increases it. It is also shown that for a distribution of particles sizes the vorticity deposition is decreased compared to single particle size case at the mean diameter.

Finding a Needle in the Haystack: Identification of Functionally Important Minority Phases in an Operating Battery.

PubMed

Zhang, Kai; Ren, Fang; Wang, Xuelong; Hu, Enyuan; Xu, Yahong; Yang, Xiao-Qing; Li, Hong; Chen, Liquan; Pianetta, Piero; Mehta, Apurva; Yu, Xiqian; Liu, Yijin

2017-12-13

The in-depth understanding of the minority phases' roles in functional materials, e.g., batteries, is critical for optimizing the system performance and the operational efficiency. Although the visualization of battery electrode under operating conditions has been demonstrated, the development of advanced data-mining approaches is still needed in order to identify minority phases and to understand their functionalities. The present study uses nanoscale X-ray spectromicroscopy to study a functional LiCoO 2 /Li battery pouch cell. The data-mining approaches developed herein were used to search through over 10 million X-ray absorption spectra that cover more than 100 active cathode particles. Two particles with unanticipated chemical fingerprints were identified and further analyzed, providing direct evidence and valuable insight into the undesired side reactions involving the cation dissolution and precipitation as well as the local overlithiation-caused subparticle domain deactivation. The data-mining approach described in this work is widely applicable to many other structurally complex and chemically heterogeneous systems, in which the secondary/minority phases could critically affect the overall performance of the system, well beyond battery research.

Structural-Phase States of Fe-Cu and Fe-Ag Bimetallic Particles Produced by Electric Explosion of Two Wires

NASA Astrophysics Data System (ADS)

Lerner, M. I.; Bakina, O. V.; Pervikov, A. V.; Glazkova, E. A.; Lozhkomoev, A. S.; Vorozhtsov, A. B.

2018-05-01

X-ray phase analysis, transmission electron microscopy, and X-ray microanalysis were used to examine the structural-phase states of Fe-Cu and Fe-Ag bimetallic nanoparticles. The nanoparticles were obtained by the electric explosion of two twisted metal wires in argon atmosphere. It was demonstrated that the nanoparticles have the structure of Janus particles. Presence of the Janus particle structure in the samples indicates formation of binary melt under conditions of combined electric explosion of two wires. Phases based on supersaturated solid solutions were not found in the examined samples. The data obtained allow arguing that it is possible to achieve uniform mixing of the two-wire explosion products under the described experiment conditions.

Structural-Phase States of Fe–Cu and Fe–Ag Bimetallic Particles Produced by Electric Explosion of Two Wires

NASA Astrophysics Data System (ADS)

Lerner, M. I.; Bakina, O. V.; Pervikov, A. V.; Glazkova, E. A.; Lozhkomoev, A. S.; Vorozhtsov, A. B.

2018-05-01

X-ray phase analysis, transmission electron microscopy, and X-ray microanalysis were used to examine the structural-phase states of Fe-Cu and Fe-Ag bimetallic nanoparticles. The nanoparticles were obtained by the electric explosion of two twisted metal wires in argon atmosphere. It was demonstrated that the nanoparticles have the structure of Janus particles. Presence of the Janus particle structure in the samples indicates formation of binary melt under conditions of combined electric explosion of two wires. Phases based on supersaturated solid solutions were not found in the examined samples. The data obtained allow arguing that it is possible to achieve uniform mixing of the two-wire explosion products under the described experiment conditions.

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

Marlow, W.H.

An aerosol here is understood to be a two-component system comprised of gaseous and condensed phases with the characteristic that the condensed phase is not an equilibrium subsystem. In contrast to the usual definitions based upon geometrical or mechanical variables, this quasi-thermodynamic formulation is framed to emphasize the dynamical behavior of aerosols by allowing for coagulation and other aerosol evolutionary processes as natural consequences of the interactions and state variables appropriate to the system. As will become clear later, it also provides a point of departure for distinguishing aerosol particles from unstable gas-phase cluster systems. The question of accommodation inmore » particle collisions must be addressed as a prelude to the discussion of the role of long-range forces. Microscopic reversibility is frequently assumed for molecular collisions with either molecules or solid surfaces. In the case of aerosol collisions, the implication of this assumption is that collisions are elastic, which is contrary to the evidence from coagulation experiments and the conventional operational assumption of sticking upon collision. Gay and Berne have performed computer simulations of the collision of two clusters consisting of a total of 135 molecules interacting via Lennard-Jones potentials. That work showed that complete accommodation, accompanied by overall heating of the unified cluster, occurred. Since heating represents an irreversible degradation of the kinetic energy of the collision, the hamiltonian of the two-cluster system should be considered as dissipative and therefore microscopic reversibility does not apply.« less

Chembio extraction on a chip by nanoliter droplet ejection.

PubMed

Yu, Hongyu; Kwon, Jae Wan; Kim, Eun Sok

2005-03-01

This paper describes a novel liquid separation technique for chembio extraction by an ultrasonic nanoliter-liquid-droplet ejector built on a PZT sheet. This technique extracts material from an aqueous two-phase system (ATPS) in a precise amount through digital control of the number of nanoliter droplets, without any mixing between the two liquids in the ATPS. The ultrasonic droplet ejector uses an acoustic streaming effect produced by an acoustic beam focused on the liquid surface, and ejects liquid droplets only from the liquid surface without disturbing most of the liquid below the surface. This unique characteristic of the focused acoustic beam is perfect (1) for separating a top-layer liquid (from the bulk of liquid) that contains particles of interest or (2) for recovering a top-layer liquid that has different phase from a bottom-layer liquid. Three kinds of liquid extraction are demonstrated with the ultrasonic droplet ejector: (1) 16 microl of top layer in Dextran-polyethylene glycol-water ATPS (aqueous two-phase system) is recovered within 20 s; (2) micron sized particles that float on water surface are ejected out with water droplets; and (3) oil layer on top of water is separated out.

Development of a two-phase SPH model for sediment laden flows

NASA Astrophysics Data System (ADS)

Shi, Huabin; Yu, Xiping; Dalrymple, Robert A.

2017-12-01

A SPH model based on a general formulation for solid-fluid two-phase flows is proposed for suspended sediment motion in free surface flows. The water and the sediment are treated as two miscible fluids, and the multi-fluid system is discretized by a single set of SPH particles, which move with the water velocity and carry properties of the two phases. Large eddy simulation (LES) is introduced to deal with the turbulence effect, and the widely used Smagorinsky model is modified to take into account the influence of sediment particles on the turbulence. The drag force is accurately formulated by including the hindered settling effect. In the model, the water is assumed to be weakly compressible while the sediment is incompressible, and a new equation of state is proposed for the pressure in the sediment-water mixture. Dynamic boundary condition is employed to treat wall boundaries, and a new strategy of Shepard filtering is adopted to damp the pressure oscillation. The developed two-phase SPH model is validated by comparing the numerical results with analytical solutions for idealized cases of still water containing both neutrally buoyant and naturally settling sand and for plane Poiseuille flows carrying neutrally buoyant particles, and is then applied to sand dumping from a line source into a water tank, where the sand cloud settles with a response of the free water surface. It is shown that the numerical results are in good agreement with the experimental data as well as the empirical formulas. The characteristics of the settling sand cloud, the pressure field, and the flow vortices are studied. The motion of the free water surface is also discussed. The proposed two-phase SPH model is proven to be effective for numerical simulation of sand dumping into waters.

Phase separation of self-propelled ballistic particles

NASA Astrophysics Data System (ADS)

Bruss, Isaac R.; Glotzer, Sharon C.

2018-04-01

Self-propelled particles phase-separate into coexisting dense and dilute regions above a critical density. The statistical nature of their stochastic motion lends itself to various theories that predict the onset of phase separation. However, these theories are ill-equipped to describe such behavior when noise becomes negligible. To overcome this limitation, we present a predictive model that relies on two density-dependent timescales: τF, the mean time particles spend between collisions; and τC, the mean lifetime of a collision. We show that only when τF<τC do collisions last long enough to develop a growing cluster and initiate phase separation. Using both analytical calculations and active particle simulations, we measure these timescales and determine the critical density for phase separation in both two and three dimensions.

Quantization of simple parametrized systems

NASA Astrophysics Data System (ADS)

Ruffini, G.

2005-11-01

I study the canonical formulation and quantization of some simple parametrized systems, including the non-relativistic parametrized particle and the relativistic parametrized particle. Using Dirac's formalism I construct for each case the classical reduced phase space and study the dependence on the gauge fixing used. Two separate features of these systems can make this construction difficult: the actions are not invariant at the boundaries, and the constraints may have disconnected solution spaces. The relativistic particle is affected by both, while the non-relativistic particle displays only by the first. Analyzing the role of canonical transformations in the reduced phase space, I show that a change of gauge fixing is equivalent to a canonical transformation. In the relativistic case, quantization of one branch of the constraint at the time is applied and I analyze the electromagenetic backgrounds in which it is possible to quantize simultaneously both branches and still obtain a covariant unitary quantum theory. To preserve unitarity and space-time covariance, second quantization is needed unless there is no electric field. I motivate a definition of the inner product in all these cases and derive the Klein-Gordon inner product for the relativistic case. I construct phase space path integral representations for amplitudes for the BFV and the Faddeev path integrals, from which the path integrals in coordinate space (Faddeev-Popov and geometric path integrals) are derived.

The stability of a crystal with diamond structure for patchy particles with tetrahedral symmetry.

PubMed

Noya, Eva G; Vega, Carlos; Doye, Jonathan P K; Louis, Ard A

2010-06-21

The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values of the range of the potential, with the aim of investigating the conditions under which a diamond crystal can be formed. We find that the diamond phase is never stable for our longer-ranged potential. At low temperatures and pressures, the fluid freezes into a body-centered-cubic solid that can be viewed as two interpenetrating diamond lattices with a weak interaction between the two sublattices. Upon compression, an orientationally ordered face-centered-cubic crystal becomes more stable than the body-centered-cubic crystal, and at higher temperatures, a plastic face-centered-cubic phase is stabilized by the increased entropy due to orientational disorder. A similar phase diagram is found for the shorter-ranged potential, but at low temperatures and pressures, we also find a region over which the diamond phase is thermodynamically favored over the body-centered-cubic phase. The higher vibrational entropy of the diamond structure with respect to the body-centered-cubic solid explains why it is stable even though the enthalpy of the latter phase is lower. Some preliminary studies on the growth of the diamond structure starting from a crystal seed were performed. Even though the diamond phase is never thermodynamically stable for the longer-ranged model, direct coexistence simulations of the interface between the fluid and the body-centered-cubic crystal and between the fluid and the diamond crystal show that at sufficiently low pressures, it is quite probable that in both cases the solid grows into a diamond crystal, albeit involving some defects. These results highlight the importance of kinetic effects in the formation of diamond crystals in systems of patchy particles.

Bose-Einstein condensate in an optical lattice with Raman-assisted two-dimensional spin-orbit coupling

NASA Astrophysics Data System (ADS)

Pan, Jian-Song; Zhang, Wei; Yi, Wei; Guo, Guang-Can

2016-10-01

In a recent experiment (Z. Wu, L. Zhang, W. Sun, X.-T. Xu, B.-Z. Wang, S.-C. Ji, Y. Deng, S. Chen, X.-J. Liu, and J.-W. Pan, arXiv:1511.08170 [cond-mat.quant-gas]), a Raman-assisted two-dimensional spin-orbit coupling has been realized for a Bose-Einstein condensate in an optical lattice potential. In light of this exciting progress, we study in detail key properties of the system. As the Raman lasers inevitably couple atoms to high-lying bands, the behaviors of the system in both the single- and many-particle sectors are significantly affected. In particular, the high-band effects enhance the plane-wave phase and lead to the emergence of "roton" gaps at low Zeeman fields. Furthermore, we identify high-band-induced topological phase boundaries in both the single-particle and the quasiparticle spectra. We then derive an effective two-band model, which captures the high-band physics in the experimentally relevant regime. Our results not only offer valuable insights into the two-dimensional lattice spin-orbit coupling, but also provide a systematic formalism to model high-band effects in lattice systems with Raman-assisted spin-orbit couplings.

Simulations to Predict the Phase Behavior and Structure of Multipolar Colloidal Particles

NASA Astrophysics Data System (ADS)

Rutkowski, David Matthew

Colloidal particles with anisotropic charge distributions can assemble into a number of interesting structures including chains, lattices and micelles that could be useful in biotechnology, optics and electronics. The goal of this work is to understand how the properties of the colloidal particles, such as their charge distribution or shape, affect the selfassembly and phase behavior of collections of such particles. The specific aim of this work is to understand how the separation between a pair of oppositely signed charges affects the phase behavior and structure of assemblies of colloidal particles. To examine these particles, we have used both discontinuous molecular dynamics (DMD) and Monte Carlo (MC) simulation techniques. In our first study of colloidal particles with finite charge separation, we simulate systems of 2-D colloidal rods with four possible charge separations. Our simulations show that the charge separation does indeed have a large effect on the phase behavior as can be seen in the phase diagrams we construct for these four systems in the area fraction-reduced temperature plane. The phase diagrams delineate the boundaries between isotropic fluid, string-fluid and percolated fluid for all systems considered. In particular, we find that coarse gel-like structures tend to form at large charge separations while denser aggregates form at small charge separations, suggesting a route to forming low volume gels by focusing on systems with large charge separations. Next we examine systems of circular particles with four embedded charges of alternating sign fixed to a triangular lattice. This system is found to form a limit periodic structure, a theoretical structure with an infinite number of phase transitions, under specific conditions. The limit-periodic structure only forms when the rotation of the particles in the system is restricted to increments of pi/3. When the rotation is restricted to increments of th/6 or the rotation is continuous, related structures form including a striped phase and a phase with nematic order. Neither the distance from the point charges to the center of the particle nor the angle between the charges influences whether the system forms a limit-periodic structure, suggesting that point quadrupoles may also be able to form limit-periodic structures. Results from these simulations will likely aid in the quest to find an experimental realization of a limit-periodic structure. Next we examine the effect of charge separation on the self-assembly of systems of 2-D colloidal particles with off-center extended dipoles. We simulate systems with both small and large charge separations for a set of displacements of the dipole from the particle center. Upon cooling, these particles self-assemble into closed, cyclic structures at large displacements including dimers, triangular shapes and square shapes, and chain-like structures at small displacements. At extremely low temperatures, the cyclic structures form interesting lattices with particles of similar chirality grouped together. Results from this work could aid in the experimental construction of open lattice-like structures that could find use in photonic applications. Finally, we present work in collaboration with Drs. Bhuvnesh Bharti and Orlin Velev in which we investigate how the surface coverage affects the self-assembly of systems of Janus particles coated with both an iron oxide and fatty acid chain layer. We model these particles by decorating a sphere with evenly dispersed points that interact with points on other spheres through square-well interactions. The interactions are designed to mimic specific coverage values for the iron oxide/fatty acid chain layer. Structures similar to those found in experiment form readily in the simulations. The number of clusters formed as a function of surface coverage agrees well with experiment. The aggregation behavior of these novel particles can therefore, be described by a relatively simple model.

Waterlike anomalies in a two-dimensional core-softened potential

NASA Astrophysics Data System (ADS)

Bordin, José Rafael; Barbosa, Marcia C.

2018-02-01

We investigate the structural, thermodynamic, and dynamic behavior of a two-dimensional (2D) core-corona system using Langevin dynamics simulations. The particles are modeled by employing a core-softened potential which exhibits waterlike anomalies in three dimensions. In previous studies in a quasi-2D system a new region in the pressure versus temperature phase diagram of structural anomalies was observed. Here we show that for the two-dimensional case two regions in the pressure versus temperature phase diagram with structural, density, and diffusion anomalies are observed. Our findings indicate that, while the anomalous region at lower densities is due the competition between the two length scales in the potential at higher densities, the anomalous region is related to the reentrance of the melting line.

Thermodynamics of strongly coupled repulsive Yukawa particles in ambient neutralizing plasma: Thermodynamic instability and the possibility of observation in fine particle plasmas

NASA Astrophysics Data System (ADS)

Totsuji, Hiroo

2008-07-01

The thermodynamics is analyzed for a system composed of particles with hard cores, interacting via the repulsive Yukawa potential (Yukawa particulates), and neutralizing ambient (background) plasma. An approximate equation of state is given with proper account of the contribution of ambient plasma and it is shown that there exists a possibility for the total isothermal compressibility of Yukawa particulates and ambient plasma to diverge when the coupling between Yukawa particulates is sufficiently strong. In this case, the system undergoes a transition into separated phases with different densities and we have a critical point for this phase separation. Examples of approximate phase diagrams related to this transition are given. It is emphasized that the critical point can be in the solid phase and we have the possibility to observe a solid-solid phase separation. The applicability of these results to fine particle plasmas is investigated. It is shown that, though the values of the characteristic parameters are semiquantitative due to the effects not described by this model, these phenomena are expected to be observed in fine particle plasmas, when approximately isotropic bulk systems are realized with a very strong coupling between fine particles.

Quasicrystal-reinforced Mg alloys.

PubMed

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-04-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg-Zn-Y and Mg-Zn-Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α -Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg-Zn-Y alloys, the co-presence of I and Ca 2 Mg 6 Zn 3 phases by addition of Ca can significantly enhance formability, while in Mg-Zn-Al alloys, the co-presence of the I-phase and Mg 2 Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg-Zn-Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg-Zn-Al-Sn alloys is attributed to the presence of finely distributed Mg 2 Sn and I-phase particles embedded in the α -Mg matrix.

Quasicrystal-reinforced Mg alloys

PubMed Central

Kyun Kim, Young; Tae Kim, Won; Hyang Kim, Do

2014-01-01

The formation of the icosahedral phase (I-phase) as a secondary solidification phase in Mg–Zn–Y and Mg–Zn–Al base systems provides useful advantages in designing high performance wrought magnesium alloys. The strengthening in two-phase composites (I-phase + α-Mg) can be explained by dispersion hardening due to the presence of I-phase particles and by the strong bonding property at the I-phase/matrix interface. The presence of an additional secondary solidification phase can further enhance formability and mechanical properties. In Mg–Zn–Y alloys, the co-presence of I and Ca2Mg6Zn3 phases by addition of Ca can significantly enhance formability, while in Mg–Zn–Al alloys, the co-presence of the I-phase and Mg2Sn phase leads to the enhancement of mechanical properties. Dynamic and static recrystallization are significantly accelerated by addition of Ca in Mg–Zn–Y alloy, resulting in much smaller grain size and more random texture. The high strength of Mg–Zn–Al–Sn alloys is attributed to the presence of finely distributed Mg2Sn and I-phase particles embedded in the α-Mg matrix. PMID:27877660

Phase behavior of colloidal dimers and hydrodynamic instabilities in binary mixtures

NASA Astrophysics Data System (ADS)

Milinkovic, K.

2013-05-01

We use computer simulations to study colloidal suspensions comprised of either bidisperse spherical particles or monodisperse dimer particles. The two main simulation techniques employed are a hybrid between molecular dynamics and stochastic rotation dynamics (MD-SRD), and a Monte Carlo (MC) algorithm. MD-SRD allows us to take Brownian motion and hydrodynamic interactions into account, while we use MC simulations to study equilibrium phase behavior. The first part of this thesis is dedicated to studying the Rayleigh-Taylor-like hydrodynamic instabilities which form in binary colloidal mixtures. Configurations with initially inhomogeneous distributions of colloidal species let to sediment in confinement will undergo the instability, and here we have studied the formation, evolution and the structural organization of the colloids within the instability as a function of the properties of the binary mixture. We found that the distribution of the colloids within the instability does not depend significantly on the composition of the mixtures, but does depend greatly on the relative magnitudes of the particle Peclet numbers. To follow the time evolution of the instability formation we calculated the spatial colloid velocity correlation functions, observing alternating regions in which the particle sedimentation velocities are correlated and anticorrelated. These observations are consistent with the network-like structures which are characteristic for Rayleigh-Taylor instabilities. We also calculated the growth rates of the unstable modes both from our simulation data and theoretically, finding good agreement between the obtained results. The second part of this thesis focuses on the phase behavior of monodisperse dimer systems. We first studied the phase behavior of hard snowman-shaped particles which consist of tangential hard spheres with different diameters. We used Monte Carlo simulations and free energy calculations to obtain the phase diagram as a function of the sphere diameter ratio, predicting stable isotropic fluid, plastic crystal and aperiodic crystalline phases. The crystalline phases found to be stable for a given diameter ratio at high densities correspond to the close packed structures of equimolar binary hard-sphere mixtures with the same diameter ratio. However, we also predict several crystal-crystal phase transitions, such that the best packed structures are stable at higher densities, while those with a higher degree of degeneracy are stable at lower densities. To explore the effects of degeneracy entropy on the phase behavior of dimer particles, we calculated the phase diagram of hard asymmetric dumbbells. These particles consist of two spheres with fixed diameters and varying center-to-center separation. We predicted stable isotropic fluid, plastic crystal, and periodic NaCl-based and both periodic and aperiodic CrB-based crystalline phases, and found that reducing the sphere separation results in the aperiodic crystalline phases of snowman-shaped particles becoming destabilized. Finally, we have also studied the phase behavior of dumbbell particles interacting with hard-core repulsive Yukawa potentials. We found that dumbbells with sufficiently long-ranged interactions crystallize spontaneously into plastic crystals in which the particle centers of mass are located on average on a BCC crystal lattice. The auto- and spatial orientational correlation functions reveal no significant hindrance of the particle rotations even for the shortest ranged interactions studied.

Ice Particle Analysis of the Honeywell AL502 Engine Booster

NASA Technical Reports Server (NTRS)

Bidwell, Colin S.; Rigby, David L.

2015-01-01

A flow and ice particle trajectory analysis was performed for the booster of the Honeywell ALF502 engine. The analysis focused on two closely related conditions one of which produced an icing event and another which did not during testing of the ALF502 engine in the Propulsion Systems Lab (PSL) at NASA Glenn Research Center. The flow analysis was generated using the NASA Glenn GlennHT flow solver and the particle analysis was generated using the NASA Glenn LEWICE3D v3.63 ice accretion software. The inflow conditions for the two conditions were similar with the main differences being that the condition that produced the icing event was 6.8 K colder than the non-icing event case and the inflow ice water content (IWC) for the non-icing event case was 50% less than for the icing event case. The particle analysis, which considered sublimation, evaporation and phase change, was generated for a 5 micron ice particle with a sticky impact model and for a 24 micron median volume diameter (MVD), 7 bin ice particle distribution with a supercooled large droplet (SLD) splash model used to simulate ice particle breakup. The particle analysis did not consider the effect of the runback and re-impingement of water resulting from the heated spinner and anti-icing system. The results from the analysis showed that the amount of impingement for the components were similar for the same particle size and impact model for the icing and non-icing event conditions. This was attributed to the similar aerodynamic conditions in the booster for the two cases. The particle temperature and melt fraction were higher at the same location and particle size for the non-icing event than for the icing event case due to the higher incoming inflow temperature for the non-event case. The 5 micron ice particle case produced higher impact temperatures and higher melt fractions on the components downstream of the fan than the 24 micron MVD case because the average particle size generated by the particle breakup was larger than 5 microns which yielded less warming and melting. The analysis also showed that the melt fraction and wet bulb temperature icing criterion developed during tests in the Research Altitude Test Facility (RATFac) at the National Research Council (NRC) of Canada were useful in predicting icing events in the ALF502 engine. The development of an ice particle impact model which includes the effects of particle breakup, phase change, and surface state is necessary to further improve the prediction of ice particle transport with phase change through turbomachinery.

First-order curvature corrections to the surface tension of multicomponent systems.

PubMed

Boltachev, Grey Sh; Baidakov, Vladimir G; Schmelzer, Jürn W P

2003-08-01

The dependence of surface tension on curvature is investigated for the case of an equilibrium phase coexistence in multicomponent systems. Employing Gibbs's method of description of heterogeneous systems, an equation is derived to determine the dependence of surface tension on curvature for widely arbitrary paths of variation of the independent thermodynamic parameters. It is supposed hereby merely that the temperature is kept constant and that the variations of the different molar fractions are such that the radius of the dividing surface varies monotonically in dependence on the change of the state parameters of the ambient phase along any of the chosen paths. In the analysis, an approach developed by Blokhuis and Bedeaux for one-component systems is utilized. It relies on the expansion of the surface free energy on curvature of the dividing surface. An equation is derived that connects the first-order correction term in the expansion with the interaction potential of the particles in the multicomponent solution and with the two-particle distribution functions in the planar interfacial layer between the two phases coexisting in equilibrium at planar interfaces. The connection of the first-order curvature correction to the surface tension and the first moment of the pressure tensor at a planar interface is analyzed as well.

Physics, mathematics and numerics of particle adsorption on fluid interfaces

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Pavliotis, Grigorios A.; Kalliadasis, Serafim

2012-11-01

We study two arbitrary immiscible fuids where one phase contains small particles of the size of the interface and smaller. We primarily focus on charge-free particles with wetting characteristics described by the contact angle formed at the interface between the two phases and the particles. Based on the experimental observation that particles are adsorbed on the interface to reduce the interfacial energy and hence the surface tension as well, we formulate a free-energy functional that accounts for these physical effects. Using elements from calculus of variations and formal gradient flow theory, we derive partial differential equations describing the location of the interface and the density of the particles in the fluid phases. Via numerical experiments we analyse the time evolution of the surface tension, the particle concentration, and the free energy over time and reflect basic experimentally observed phenomena.

Isostructural solid-solid phase transition in monolayers of soft core-shell particles at fluid interfaces: structure and mechanics.

PubMed

Rey, Marcel; Fernández-Rodríguez, Miguel Ángel; Steinacher, Mathias; Scheidegger, Laura; Geisel, Karen; Richtering, Walter; Squires, Todd M; Isa, Lucio

2016-04-21

We have studied the complete two-dimensional phase diagram of a core-shell microgel-laden fluid interface by synchronizing its compression with the deposition of the interfacial monolayer. Applying a new protocol, different positions on the substrate correspond to different values of the monolayer surface pressure and specific area. Analyzing the microstructure of the deposited monolayers, we discovered an isostructural solid-solid phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases corresponded to shell-shell and core-core inter-particle contacts, respectively; with increasing surface pressure the former mechanically failed enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore measured the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer. The interfaces always showed a strong elastic response, with a dip in the shear elastic modulus in correspondence with the melting of the shell-shell phase, followed by a steep increase upon the formation of a percolating network of the core-core contacts. These results demonstrate that the core-shell nature of the particles leads to a rich mechanical and structural behavior that can be externally tuned by compressing the interface, indicating new routes for applications, e.g. in surface patterning or emulsion stabilization.

Multiphase composition changes and reactive oxygen species formation during limonene oxidation in the new Cambridge Atmospheric Simulation Chamber (CASC)

NASA Astrophysics Data System (ADS)

Gallimore, Peter J.; Mahon, Brendan M.; Wragg, Francis P. H.; Fuller, Stephen J.; Giorio, Chiara; Kourtchev, Ivan; Kalberer, Markus

2017-08-01

The chemical composition of organic aerosols influences their impacts on human health and the climate system. Aerosol formation from gas-to-particle conversion and in-particle reaction was studied for the oxidation of limonene in a new facility, the Cambridge Atmospheric Simulation Chamber (CASC). Health-relevant oxidising organic species produced during secondary organic aerosol (SOA) formation were quantified in real time using an Online Particle-bound Reactive Oxygen Species Instrument (OPROSI). Two categories of reactive oxygen species (ROS) were identified based on time series analysis: a short-lived component produced during precursor ozonolysis with a lifetime of the order of minutes, and a stable component that was long-lived on the experiment timescale (˜ 4 h). Individual organic species were monitored continuously over this time using Extractive Electrospray Ionisation (EESI) Mass Spectrometry (MS) for the particle phase and Proton Transfer Reaction (PTR) MS for the gas phase. Many first-generation oxidation products are unsaturated, and we observed multiphase aging via further ozonolysis reactions. Volatile products such as C9H14O (limonaketone) and C10H16O2 (limonaldehyde) were observed in the gas phase early in the experiment, before reacting again with ozone. Loss of C10H16O4 (7-hydroxy limononic acid) from the particle phase was surprisingly slow. A combination of reduced C = C reactivity and viscous particle formation (relative to other SOA systems) may explain this, and both scenarios were tested in the Pretty Good Aerosol Model (PG-AM). A range of characterisation measurements were also carried out to benchmark the chamber against existing facilities. This work demonstrates the utility of CASC, particularly for understanding the reactivity and health-relevant properties of organic aerosols using novel, highly time-resolved techniques.

Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.; Seinfeld, J. H.

2010-08-01

Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE) affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008). This model allows the reliable computation of the liquid-liquid coexistence curve (binodal), corresponding tie-lines, the limit of stability/metastability (spinodal), and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH) and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility) are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six-component system simulation. For simplified partitioning parametrizations, we suggest a modified definition of the effective saturation concentration, Cj*, by including water and other inorganics in the absorbing phase. Such a Cj* definition reduces the RH-dependency of the gas/particle partitioning of semivolatile organics in organic-inorganic aerosols by an order of magnitude as compared to the currently accepted definition, which considers the organic species only.

A Preliminary Experimental Investigation of Wet Fine Erosion in Two-Phase Flow

NASA Astrophysics Data System (ADS)

Ya, H. H.; Luthfi, Haziq; Ngo, Nguyet-Tran; Hassan, Suhaimi; Pao, William

2018-03-01

Solid particles below 62 μm is classified as fine. In oil producing operation, the most commonly used downhole sand screen can only capture solid particles of 140 μm and above. Most predictive erosion model is limited to particle size of 100 μm with single phase flow assumption because it is commonly believed that erosion due to particles below 100 μm is insignificant and typically ignored by oil and gas consultants when proposing facilities design. The objective of this paper is to investigate the impact of fines particle on mild steel plate in two-phase flow at different collision angles. A two phase flow loop was set up. The average size of fine particle was 60 μm, mixed with water with sand to water ratio at 1:65 wt/wt. The mild steel plates were oriented at three different impact angles which are -30°, 30° and 90°, with respect to the horizon. Scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), surface roughness and Vickers micro hardness techniques were used to quantify the effects of fine particle on the exposed surface.

Non-equilibrium surface tension of the vapour-liquid interface of active Lennard-Jones particles

NASA Astrophysics Data System (ADS)

Paliwal, Siddharth; Prymidis, Vasileios; Filion, Laura; Dijkstra, Marjolein

2017-08-01

We study a three-dimensional system of self-propelled Brownian particles interacting via the Lennard-Jones potential. Using Brownian dynamics simulations in an elongated simulation box, we investigate the steady states of vapour-liquid phase coexistence of active Lennard-Jones particles with planar interfaces. We measure the normal and tangential components of the pressure tensor along the direction perpendicular to the interface and verify mechanical equilibrium of the two coexisting phases. In addition, we determine the non-equilibrium interfacial tension by integrating the difference of the normal and tangential components of the pressure tensor and show that the surface tension as a function of strength of particle attractions is well fitted by simple power laws. Finally, we measure the interfacial stiffness using capillary wave theory and the equipartition theorem and find a simple linear relation between surface tension and interfacial stiffness with a proportionality constant characterized by an effective temperature.

Geometric curvature and phase of the Rabi model

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

Mao, Lijun; Huai, Sainan; Guo, Liping

2015-11-15

We study the geometric curvature and phase of the Rabi model. Under the rotating-wave approximation (RWA), we apply the gauge independent Berry curvature over a surface integral to calculate the Berry phase of the eigenstates for both single and two-qubit systems, which is found to be identical with the system of spin-1/2 particle in a magnetic field. We extend the idea to define a vacuum-induced geometric curvature when the system starts from an initial state with pure vacuum bosonic field. The induced geometric phase is related to the average photon number in a period which is possible to measure inmore » the qubit–cavity system. We also calculate the geometric phase beyond the RWA and find an anomalous sudden change, which implies the breakdown of the adiabatic theorem and the Berry phases in an adiabatic cyclic evolution are ill-defined near the anti-crossing point in the spectrum.« less

Theory of inhomogeneous quantum systems. III. Variational wave functions for Fermi fluids

NASA Astrophysics Data System (ADS)

Krotscheck, E.

1985-04-01

We develop a general variational theory for inhomogeneous Fermi systems such as the electron gas in a metal surface, the surface of liquid 3He, or simple models of heavy nuclei. The ground-state wave function is expressed in terms of two-body correlations, a one-body attenuation factor, and a model-system Slater determinant. Massive partial summations of cluster expansions are performed by means of Born-Green-Yvon and hypernetted-chain techniques. An optimal single-particle basis is generated by a generalized Hartree-Fock equation in which the two-body correlations screen the bare interparticle interaction. The optimization of the pair correlations leads to a state-averaged random-phase-approximation equation and a strictly microscopic determination of the particle-hole interaction.

A theory for the phase behavior of mixtures of active particles.

PubMed

Takatori, Sho C; Brady, John F

2015-10-28

Systems at equilibrium like molecular or colloidal suspensions have a well-defined thermal energy kBT that quantifies the particles' kinetic energy and gauges how "hot" or "cold" the system is. For systems far from equilibrium, such as active matter, it is unclear whether the concept of a "temperature" exists and whether self-propelled entities are capable of thermally equilibrating like passive Brownian suspensions. Here we develop a simple mechanical theory to study the phase behavior and "temperature" of a mixture of self-propelled particles. A mixture of active swimmers and passive Brownian particles is an ideal system for discovery of the temperature of active matter and the quantities that get shared upon particle collisions. We derive an explicit equation of state for the active/passive mixture to compute a phase diagram and to generalize thermodynamic concepts like the chemical potential and free energy for a mixture of nonequilibrium species. We find that different stability criteria predict in general different phase boundaries, facilitating considerations in simulations and experiments about which ensemble of variables are held fixed and varied.

Dynamical Evolution of Planetesimals in the Outer Solar System. II. The Saturn/Uranus and Uranus/Neptune Zones

NASA Astrophysics Data System (ADS)

Grazier, Kevin R.; Newman, William I.; Varadi, Ferenc; Kaula, William M.; Hyman, James M.

1999-08-01

We report on numerical simulations exploring the dynamical stability of planetesimals in the gaps between the outer Solar System planets. We search for stable niches in the Saturn/Uranus and Uranus/Neptune zones by employing 10,000 massless particles-many more than previous studies in these two zones-using high-order optimized multistep integration schemes coupled with roundoff error minimizing methods. An additional feature of this study, differing from its predecessors, is the fact that our initial distributions contain particles on orbits which are both inclined and noncircular. These initial distributions were also Gaussian distributed such that the Gaussian peaks were at the midpoint between the neighboring perturbers. The simulations showed an initial transient phase where the bulk of the primordial planetesimal swarm was removed from the Solar System within 105 years. This is about 10 times longer than we observed in our previous Jupiter/Saturn studies. Next, there was a gravitational relaxation phase where the particles underwent a random walk in momentum space and were exponentially eliminated by random encounters with the planets. Unlike our previous Jupiter/Saturn simulation, the particles did not fully relax into a third Lagrangian niche phase where long-lived particles are at Lagrange points or stable niches. This is either because the Lagrangian niche phase never occurs or because these simulations did not have enough particles for this third phase to manifest. In these simulations, there was a general trend for the particles to migrate outward and eventually to be cleared out by the outermost planet in the zone. We confirmed that particles with higher eccentricities had shorter lifetimes and that the resonances between the jovian planets "pumped up" the eccentricities of the planetesimals with low-inclination orbits more than those with higher inclinations. We estimated the expected lifetime of particles using kinetic theory and even though the time scale of the Uranus/Neptune simulation was 380 times longer than our previous Jupiter/Saturn simulation, the planetesimals in the Uranus/Neptune zone were cleared out more quickly than those in the Saturn/Uranus zone because of the positions of resonances with the jovian planets. These resonances had an even greater effect than random gravitational stirring in the winnowing process and confirm that all the jovian planets are necessary in long simulations. Even though we observed several long-lived zones near 12.5, 14.4, 16, 24.5, and 26 AU, only two particles remained at the end of the 109-year integration: one near the 2 : 3 Saturn resonance, and the other near the Neptune 1 : 1 resonance. This suggests that niches for planetesimal material in the jovian planets are rare and may exist either only in extremely narrow bands or in the neighborhoods of the triangular Lagrange points of the outer planets.

Loop Braiding Statistics and Interacting Fermionic Symmetry-Protected Topological Phases in Three Dimensions

NASA Astrophysics Data System (ADS)

Cheng, Meng; Tantivasadakarn, Nathanan; Wang, Chenjie

2018-01-01

We study Abelian braiding statistics of loop excitations in three-dimensional gauge theories with fermionic particles and the closely related problem of classifying 3D fermionic symmetry-protected topological (FSPT) phases with unitary symmetries. It is known that the two problems are related by turning FSPT phases into gauge theories through gauging the global symmetry of the former. We show that there exist certain types of Abelian loop braiding statistics that are allowed only in the presence of fermionic particles, which correspond to 3D "intrinsic" FSPT phases, i.e., those that do not stem from bosonic SPT phases. While such intrinsic FSPT phases are ubiquitous in 2D systems and in 3D systems with antiunitary symmetries, their existence in 3D systems with unitary symmetries was not confirmed previously due to the fact that strong interaction is necessary to realize them. We show that the simplest unitary symmetry to support 3D intrinsic FSPT phases is Z2×Z4. To establish the results, we first derive a complete set of physical constraints on Abelian loop braiding statistics. Solving the constraints, we obtain all possible Abelian loop braiding statistics in 3D gauge theories, including those that correspond to intrinsic FSPT phases. Then, we construct exactly soluble state-sum models to realize the loop braiding statistics. These state-sum models generalize the well-known Crane-Yetter and Dijkgraaf-Witten models.

Measurement of average density and relative volumes in a dispersed two-phase fluid

DOEpatents

Sreepada, Sastry R.; Rippel, Robert R.

1992-01-01

An apparatus and a method are disclosed for measuring the average density and relative volumes in an essentially transparent, dispersed two-phase fluid. A laser beam with a diameter no greater than 1% of the diameter of the bubbles, droplets, or particles of the dispersed phase is directed onto a diffraction grating. A single-order component of the diffracted beam is directed through the two-phase fluid and its refraction is measured. Preferably, the refracted beam exiting the fluid is incident upon a optical filter with linearly varing optical density and the intensity of the filtered beam is measured. The invention can be combined with other laser-based measurement systems, e.g., laser doppler anemometry.

Coupled discrete element and finite volume solution of two classical soil mechanics problems

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

Chen, Feng; Drumm, Eric; Guiochon, Georges A

One dimensional solutions for the classic critical upward seepage gradient/quick condition and the time rate of consolidation problems are obtained using coupled routines for the finite volume method (FVM) and discrete element method (DEM), and the results compared with the analytical solutions. The two phase flow in a system composed of fluid and solid is simulated with the fluid phase modeled by solving the averaged Navier-Stokes equation using the FVM and the solid phase is modeled using the DEM. A framework is described for the coupling of two open source computer codes: YADE-OpenDEM for the discrete element method and OpenFOAMmore » for the computational fluid dynamics. The particle-fluid interaction is quantified using a semi-empirical relationship proposed by Ergun [12]. The two classical verification problems are used to explore issues encountered when using coupled flow DEM codes, namely, the appropriate time step size for both the fluid and mechanical solution processes, the choice of the viscous damping coefficient, and the number of solid particles per finite fluid volume.« less

Meso-Scale Modeling of Spall in a Heterogeneous Two-Phase Material

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

Springer, Harry Keo

2008-07-11

The influence of the heterogeneous second-phase particle structure and applied loading conditions on the ductile spall response of a model two-phase material was investigated. Quantitative metallography, three-dimensional (3D) meso-scale simulations (MSS), and small-scale spall experiments provided the foundation for this study. Nodular ductile iron (NDI) was selected as the model two-phase material for this study because it contains a large and readily identifiable second- phase particle population. Second-phase particles serve as the primary void nucleation sites in NDI and are, therefore, central to its ductile spall response. A mathematical model was developed for the NDI second-phase volume fraction that accountedmore » for the non-uniform particle size and spacing distributions within the framework of a length-scale dependent Gaussian probability distribution function (PDF). This model was based on novel multiscale sampling measurements. A methodology was also developed for the computer generation of representative particle structures based on their mathematical description, enabling 3D MSS. MSS were used to investigate the effects of second-phase particle volume fraction and particle size, loading conditions, and physical domain size of simulation on the ductile spall response of a model two-phase material. MSS results reinforce existing model predictions, where the spall strength metric (SSM) logarithmically decreases with increasing particle volume fraction. While SSM predictions are nearly independent of applied load conditions at lower loading rates, which is consistent with previous studies, loading dependencies are observed at higher loading rates. There is also a logarithmic decrease in SSM for increasing (initial) void size, as well. A model was developed to account for the effects of loading rate, particle size, matrix sound-speed, and, in the NDI-specific case, the probabilistic particle volume fraction model. Small-scale spall experiments were designed and executed for the purpose of validating closely-coupled 3D MSS. While the spall strength is nearly independent of specimen thickness, the fragment morphology varies widely. Detailed MSS demonstrate that the interactions between the tensile release waves are altered by specimen thickness and that these interactions are primarily responsible for fragment formation. MSS also provided insights on the regional amplification of damage, which enables the development of predictive void evolution models.« less

Demixing in symmetric supersolid mixtures

NASA Astrophysics Data System (ADS)

Jain, Piyush; Moroni, Saverio; Boninsegni, Massimo; Pollet, Lode

2013-09-01

The droplet crystal phase of a symmetric binary mixture of soft-core bosons is studied by computer simulation. At high temperature each droplet comprises on average equal numbers of particles of either component, but the two components demix below the supersolid transition temperature, i.e., droplets mostly consist of particles of one component. Clustering of droplets of the same component is also observed. Demixing is driven by quantum tunneling of particles across droplets over the system and does not take place in an insulating crystal. This effect provides an unambiguous experimental signature of supersolidity.

Near-Blackbody Enclosed Particle-Receiver Development

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

Ma, Zhiwen; Sakadjian, Bartev

2015-12-01

This 3-year project develops a technology using gas/solid, two-phase flow as a heat-transfer fluid and separated, stable, solid particles as a thermal energy storage (TES) medium for a concentrating solar power (CSP) plant, to address the temperature, efficiency, and cost barriers associated with current molten-salt CSP systems. This project focused on developing a near-blackbody particle receiver and an integrated fluidized-bed heat exchanger with auxiliary components to achieve greater than 20% cost reduction over current CSP plants, and to provide the ability to drive high-efficiency power cycles.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface- phase-field-crystal model.

PubMed

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2012-10-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.

Computation of liquid-liquid equilibria and phase stabilities: implications for RH-dependent gas/particle partitioning of organic-inorganic aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.; Seinfeld, J. H.

2010-05-01

Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE) affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008). This model allows the reliable computation of the liquid-liquid coexistence curve (binodal), corresponding tie-lines, the limit of stability/metastability (spinodal), and further thermodynamic properties of the phase diagram. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH) and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility) are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six-component system simulation. For simplified partitioning parametrizations, we suggest a modified definition of the effective saturation concentration, C*j, by including water and other inorganics in the absorbing phase. Such a C*j definition reduces the RH-dependency of the gas/particle partitioning of semivolatile organics in organic-inorganic aerosols by an order of magnitude as compared to the currently accepted definition, which considers the organic species only.

Monodisperse hydrogel microspheres by forced droplet formation in aqueous two-phase systems.

PubMed

Ziemecka, Iwona; van Steijn, Volkert; Koper, Ger J M; Rosso, Michel; Brizard, Aurelie M; van Esch, Jan H; Kreutzer, Michiel T

2011-02-21

This paper presents a method to form micron-sized droplets in an aqueous two-phase system (ATPS) and to subsequently polymerize the droplets to produce hydrogel beads. Owing to the low interfacial tension in ATPS, droplets do not easily form spontaneously. We enforce the formation of drops by perturbing an otherwise stable jet that forms at the junction where the two aqueous streams meet. This is done by actuating a piezo-electric bending disc integrated in our device. The influence of forcing amplitude and frequency on jet breakup is described and related to the size of monodisperse droplets with a diameter in the range between 30 and 60 μm. Rapid on-chip polymerization of derivatized dextran inside the droplets created monodisperse hydrogel particles. This work shows how droplet-based microfluidics can be used in all-aqueous, surfactant-free, organic-solvent-free biocompatible two-phase environment.

Low-noise phase of a two-dimensional active nematic system

NASA Astrophysics Data System (ADS)

Shankar, Suraj; Ramaswamy, Sriram; Marchetti, M. Cristina

2018-01-01

We consider a collection of self-driven apolar particles on a substrate that organize into an active nematic phase at sufficiently high density or low noise. Using the dynamical renormalization group, we systematically study the two-dimensional fluctuating ordered phase in a coarse-grained hydrodynamic description involving both the nematic director and the conserved density field. In the presence of noise, we show that the system always displays only quasi-long-ranged orientational order beyond a crossover scale. A careful analysis of the nonlinearities permitted by symmetry reveals that activity is dangerously irrelevant over the linearized description, allowing giant number fluctuations to persist although now with strong finite-size effects and a nonuniversal scaling exponent. Nonlinear effects from the active currents lead to power-law correlations in the density field, thereby preventing macroscopic phase separation in the thermodynamic limit.

Pesticides in the atmosphere: a comparison of gas-particle partitioning and particle size distribution of legacy and current-use pesticides

NASA Astrophysics Data System (ADS)

Degrendele, C.; Okonski, K.; Melymuk, L.; Landlová, L.; Kukučka, P.; Audy, O.; Kohoutek, J.; Čupr, P.; Klánová, J.

2015-09-01

This study presents a comparison of seasonal variation, gas-particle partitioning and particle-phase size distribution of organochlorine pesticides (OCPs) and current-use pesticides (CUPs) in air. Two years (2012/2013) of weekly air samples were collected at a background site in the Czech Republic using a high-volume air sampler. To study the particle-phase size distribution, air samples were also collected at an urban and rural site in the area of Brno, Czech Republic, using a cascade impactor separating atmospheric particulates according to six size fractions. The timing and frequencies of detection of CUPs related to their legal status, usage amounts and their environmental persistence, while OCPs were consistently detected throughout the year. Two different seasonal trends were noted: certain compounds had higher concentrations only during the growing season (April-September) and other compounds showed two peaks, first in the growing season and second in plowing season (October-November). In general, gas-particle partitioning of pesticides was governed by physicochemical properties, with higher vapor pressure leading to higher gas phase fractions, and associated seasonality in gas-particle partitioning was observed in nine pesticides. However, some anomalous partitioning was observed for fenpropimorph and chlorpyrifos suggesting the influence of current pesticide application on gas-particle distributions. Nine pesticides had highest particle phase concentrations on fine particles (< 0.95 μm) and four pesticides on coarser (> 1.5 μm) particles.

Effect of spatial bias on the nonequilibrium phase transition in a system of coagulating and fragmenting particles.

PubMed

Rajesh, R; Krishnamurthy, Supriya

2002-10-01

We examine the effect of spatial bias on a nonequilibrium system in which masses on a lattice evolve through the elementary moves of diffusion, coagulation, and fragmentation. When there is no preferred directionality in the motion of the masses, the model is known to exhibit a nonequilibrium phase transition between two different types of steady state, in all dimensions. We show analytically that introducing a preferred direction in the motion of the masses inhibits the occurrence of the phase transition in one dimension, in the thermodynamic limit. A finite-size system, however, continues to show a signature of the original transition, and we characterize the finite-size scaling implications of this. Our analysis is supported by numerical simulations. In two dimensions, bias is shown to be irrelevant.

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

Cai Xiaoming; Chen Shu; Wang Yupeng

The superfluid-to-Anderson-insulator transition of a strongly repulsive Bose gas is studied in a one-dimensional incommensurate optical lattice. In the hard-core limit, the Bose-Fermi mapping allows us to deal with the system using the exact numerical method. Based on the Aubry-Andre model, we exploit the phase transition of the hard-core boson system from the superfluid phase with all single-particle states extended to the Bose-glass phase with all the single-particle states being Anderson localized as the strength of the incommensurate potential increases relative to the hopping amplitude. We evaluate the superfluid fraction, one-particle density matrices, momentum distributions, the natural orbitals, and theirmore » occupations. All of these quantities show that there exists a superfluid-to-insulator phase transition in the system.« less

a Study of Dynamic Powder Consolidation Based on a Particle-Level Mathematical Model.

NASA Astrophysics Data System (ADS)

Williamson, Richard L.

A mathematical model is developed to investigate the effects of large amplitude shock waves on powder materials during dynamic consolidation. The model is constructed at the particle level, focusing on a region containing a few powder particles and the surrounding interstices. The general equations of continuum mechanics are solved over this region, using initial and boundary conditions appropriate for the consolidation process. Closure of the equation system is obtained using an analytical equation of state; relations are included to account for solid to liquid phase changes. An elastic, perfectly-plastic constitutive law, specifically modified to describe material behavior at high-strain-rates, is applied to the solid materials. To reduce complexity, the model is restricted to two dimensions, therefore individual particles are approximated as infinitely long cylinders rather than spheres. The equation system is solved using standard finite-difference numerical techniques. It is demonstrated that for typical consolidation conditions, energy diffusion mechanisms are insignificant during the rapid densification phase of consolidation. Using type 304 stainless steel powder material, the particle-level model is used to investigate the mechanisms responsible for particle surface heating and metallurgical bonding during consolidation. It is demonstrated that energy deposition near particle surfaces results both from rapid particle deformation during interstitial filling and large localized impacts occurring at the final instant of interstitial closure; particle interior regions remain at sufficiently low temperatures to avoid microstructural modification. Nonuniform metallurgical bonding is predicted around the particle periphery, ranging from complete fusion to mechanical abutment. Simulation results are used to investigate the detailed wave propagation phenomena at the particle level, providing an improved understanding of this complex behavior. A variety of parametric studies are conducted including investigations of the effects of stress wave amplitude and rise time, the role of interstitial gases during consolidation, and various geometric aspects including the importance of initial void fraction. The model is applied to a metal matrix composite system to investigate the consolidation of mixtures of differing materials; results of a two-dimensional experiment are included. Available experimental data are compared with simulation results. In general, very good agreement between simulation results and data is obtained.

Hydrodynamics of soap films probed by two-particle microrheology

NASA Astrophysics Data System (ADS)

Prasad, Vikram; Weeks, Eric R.

2007-11-01

A soap film consists of a thin water layer that is separated from two bulk air phases above and below it by surfactant monolayers. The flow fields in the soap film created in response to a perturbation depend on coupling between these different phases, the exact nature of which is unknown. In order to determine this coupling, we use polystyrene spheres as tracer particles and track their diffusive motions in the soap film. The correlated Brownian motion of pairs of particles (two-particle microrheology) maps out the flow field, and provides a measure of the surface viscosity of the soap film as well. This measured surface viscosity agrees well with the value obtained from self diffusion of single particles (one-particle microrheology) in the film.

Moving walls and geometric phases

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

Facchi, Paolo, E-mail: paolo.facchi@ba.infn.it; INFN, Sezione di Bari, I-70126 Bari; Garnero, Giancarlo, E-mail: giancarlo.garnero@uniba.it

2016-09-15

We unveil the existence of a non-trivial Berry phase associated to the dynamics of a quantum particle in a one dimensional box with moving walls. It is shown that a suitable choice of boundary conditions has to be made in order to preserve unitarity. For these boundary conditions we compute explicitly the geometric phase two-form on the parameter space. The unboundedness of the Hamiltonian describing the system leads to a natural prescription of renormalization for divergent contributions arising from the boundary.

Determination of the coma dust back-scattering of 67P for phase angles from 1.2° to 75°

NASA Astrophysics Data System (ADS)

Fink, Uwe; Doose, Lyn

2018-07-01

A phase curve is derived for the dust coma of comet 67P/Churyumov-Gerasimenko (67P) from 1.2° to 74° using images from the OSIRIS camera system on board the Rosetta mission during the period 2014 July 25 to 2015 February 23 as the spacecraft approached the comet. We analyzed 123 images of the continuum filter at 612.6 nm and 60 images of the 375 nm UV continuum filter of the Wide Angle Camera. Our method of extracting a phase curve, close to the nucleus, taking into account illumination conditions, activity of the comet, strong radial radiance intensity decrease and varying phase angles across the image, is described in detail. Our derived backscattering phase curve is considerably steeper than earlier published data. The radiance of the scattering dust in the 612.6 nm filter increases by about a factor of 12 going from a phase angle of 75° to a phase angle of 2.0°. The phase curve for the 375 nm filter is similar but there is reasonable evidence that the I/F color ratio between the two filters changes from a roughly neutral color ratio of 1.2 to a more typical red color of ∼ 2.0 as the activity of the comet increases. No substantial change in the shape of the phase curve could be discerned between 2014 August and 2015 February 19-23 when the comet increased considerably in activity. The phase curve behavior on the illuminated side of the comet and the dark side is in general similar. A comparison of our phase curve with a recent phase curve for 67P by Bertini et al. for the phase angle range ∼15°-80°, where our two reductions overlap, shows good agreement (as does our color ratio between the 612.6 nm and the 375 nm filters) despite the fact that the two phase curve determinations observed the comet at different dust activity levels, at different distances from the nucleus and used completely different observing and data reduction methodologies. Trial scattering calculations demonstrate that the observed strong backscattering most likely arises from particles in the size range 1-20 μm. Our observed backscattering phase curve gives no constraints on the real index of refraction, the particle size distribution or the minimum and maximum particle size cut-offs. However, an upper limit to the imaginary index of refraction of ∼0.01 was required, making these particles quite transparent. Simple spherical scattering calculations including particle size distributions can fit the general characteristics of the phase curve but cannot produce a satisfactory detailed fit.

Effective density and morphology of particles emitted from small-scale combustion of various wood fuels.

PubMed

Leskinen, Jani; Ihalainen, Mika; Torvela, Tiina; Kortelainen, Miika; Lamberg, Heikki; Tiitta, Petri; Jakobi, Gert; Grigonyte, Julija; Joutsensaari, Jorma; Sippula, Olli; Tissari, Jarkko; Virtanen, Annele; Zimmermann, Ralf; Jokiniemi, Jorma

2014-11-18

The effective density of fine particles emitted from small-scale wood combustion of various fuels were determined with a system consisting of an aerosol particle mass analyzer and a scanning mobility particle sizer (APM-SMPS). A novel sampling chamber was combined to the system to enable measurements of highly fluctuating combustion processes. In addition, mass-mobility exponents (relates mass and mobility size) were determined from the density data to describe the shape of the particles. Particle size, type of fuel, combustion phase, and combustion conditions were found to have an effect on the effective density and the particle shape. For example, steady combustion phase produced agglomerates with effective density of roughly 1 g cm(-3) for small particles, decreasing to 0.25 g cm(-3) for 400 nm particles. The effective density was higher for particles emitted from glowing embers phase (ca. 1-2 g cm(-3)), and a clear size dependency was not observed as the particles were nearly spherical in shape. This study shows that a single value cannot be used for the effective density of particles emitted from wood combustion.

Critical assessment of von Mises distribution and an infinite series ansatz for self-propelled particles

NASA Astrophysics Data System (ADS)

Kürsten, Rüdiger; Ihle, Thomas

2017-03-01

We consider a Vicsek model of self-propelled particles with bounded confidence, where each particle interacts only with neighbors that have a similar direction. Depending on parameters, the system exhibits a continuous or discontinuous polar phase transition from the isotropic phase to a phase with a preferred direction. In a recent paper (Lam, Schindler and Dauchot 2015 J. Stat. Mech. P10017) the von Mises distribution was proposed as an ansatz for polar ordering. In the present system the time evolution of the angular distribution can be solved in Fourier space. We compare the results of the Fourier analysis with the ones obtained by using the von Mises distribution ansatz. In the latter case the qualitative behavior of the system is recovered correctly. However, quantitatively there are serious deviations. We introduce an extended von Mises distribution ansatz such that a second term takes care of the next two Fourier modes. With the extended ansatz we find much better quantitative agreement. As an alternative approach we also use a Gaussian and a geometric series ansatz in Fourier space. The geometric series ansatz is analytically handable but fails for very weak noise, the Gaussian ansatz yields better results but it is not analytically treatable.

Semiconductor of spinons: from Ising band insulator to orthogonal band insulator.

PubMed

Farajollahpour, T; Jafari, S A

2018-01-10

We use the ionic Hubbard model to study the effects of strong correlations on a two-dimensional semiconductor. The spectral gap in the limit where on-site interactions are zero is set by the staggered ionic potential, while in the strong interaction limit it is set by the Hubbard U. Combining mean field solutions of the slave spin and slave rotor methods, we propose two interesting gapped phases in between: (i) the insulating phase before the Mott phase can be viewed as gapping a non-Fermi liquid state of spinons by the staggered ionic potential. The quasi-particles of underlying spinons are orthogonal to physical electrons, giving rise to the 'ARPES-dark' state where the ARPES gap will be larger than the optical and thermal gap. (ii) The Ising insulator corresponding to ordered phase of the Ising variable is characterized by single-particle excitations whose dispersion is controlled by Ising-like temperature and field dependences. The temperature can be conveniently employed to drive a phase transition between these two insulating phases where Ising exponents become measurable by ARPES and cyclotron resonance. The rare earth monochalcogenide semiconductors where the magneto-resistance is anomalously large can be a candidate system for the Ising band insulator. We argue that the Ising and orthogonal insulating phases require strong enough ionic potential to survive the downward renormalization of the ionic potential caused by Hubbard U.

Semiconductor of spinons: from Ising band insulator to orthogonal band insulator

NASA Astrophysics Data System (ADS)

Farajollahpour, T.; Jafari, S. A.

2018-01-01

We use the ionic Hubbard model to study the effects of strong correlations on a two-dimensional semiconductor. The spectral gap in the limit where on-site interactions are zero is set by the staggered ionic potential, while in the strong interaction limit it is set by the Hubbard U. Combining mean field solutions of the slave spin and slave rotor methods, we propose two interesting gapped phases in between: (i) the insulating phase before the Mott phase can be viewed as gapping a non-Fermi liquid state of spinons by the staggered ionic potential. The quasi-particles of underlying spinons are orthogonal to physical electrons, giving rise to the ‘ARPES-dark’ state where the ARPES gap will be larger than the optical and thermal gap. (ii) The Ising insulator corresponding to ordered phase of the Ising variable is characterized by single-particle excitations whose dispersion is controlled by Ising-like temperature and field dependences. The temperature can be conveniently employed to drive a phase transition between these two insulating phases where Ising exponents become measurable by ARPES and cyclotron resonance. The rare earth monochalcogenide semiconductors where the magneto-resistance is anomalously large can be a candidate system for the Ising band insulator. We argue that the Ising and orthogonal insulating phases require strong enough ionic potential to survive the downward renormalization of the ionic potential caused by Hubbard U.

Cross-correlation focus method with an electrostatic sensor array for local particle velocity measurement in dilute gas-solid two-phase flow

NASA Astrophysics Data System (ADS)

Wang, Chao; Zhang, Jingyu; Gao, Wenbin; Ding, Hongbing; Wu, Weiping

2015-11-01

The gas-solid two-phase flow has been widely applied in the power, chemical and metallurgical industries. It is of great significance in the research of gas-solid two-phase flow to measure particle velocity at different locations in the pipeline. Thus, an electrostatic sensor array comprising eight arc-shaped electrodes was designed. The relationship between the cross-correlation (CC) velocity and the distribution of particle velocity, charge density and electrode spatial sensitivity was analysed. Then the CC sensitivity and its calculation method were proposed. According to the distribution of CC sensitivity, it was found that, between different electrode pairs, it had different focus areas. The CC focus method was proposed for particle velocity measurement at different locations and validated by a belt-style electrostatic induction experiment facility. Finally, the particle velocities at different locations with different flow conditions were measured to research the particle velocity distribution in a dilute horizontal pneumatic conveying pipeline.

Role of small-norm components in extended random-phase approximation

NASA Astrophysics Data System (ADS)

Tohyama, Mitsuru

2017-09-01

The role of the small-norm amplitudes in extended random-phase approximation (RPA) theories such as the particle-particle and hole-hole components of one-body amplitudes and the two-body amplitudes other than two-particle/two-hole components are investigated for the one-dimensional Hubbard model using an extended RPA derived from the time-dependent density matrix theory. It is found that these amplitudes cannot be neglected in strongly interacting regions where the effects of ground-state correlations are significant.

Self-organisation of semi-flexible rod-like particles

NASA Astrophysics Data System (ADS)

de Braaf, Bart; Oshima Menegon, Mariana; Paquay, Stefan; van der Schoot, Paul

2017-12-01

We report on a comprehensive computer simulation study of the liquid-crystal phase behaviour of purely repulsive, semi-flexible rod-like particles. For the four aspect ratios we consider, the particles form five distinct phases depending on their packing fraction and bending flexibility: the isotropic, nematic, smectic A, smectic B, and crystal phase. Upon increasing the particle bending flexibility, the various phase transitions shift to larger packing fractions. Increasing the aspect ratio achieves the opposite effect. We find two different ways in which the layer thickness of the particles in the smectic A phase may respond to an increase in concentration. The layer thickness may either decrease or increase depending on the aspect ratio and flexibility. For the smectic B and the crystalline phases, increasing the concentration always decreases the layer thickness. Finally, we find that the layer spacing jumps to a larger value on transitioning from the smectic A phase to the smectic B phase.

Evaluation of flow hydrodynamics in a pilot-scale dissolved air flotation tank: a comparison between CFD and experimental measurements.

PubMed

Lakghomi, B; Lawryshyn, Y; Hofmann, R

2015-01-01

Computational fluid dynamics (CFD) models of dissolved air flotation (DAF) have shown formation of stratified flow (back and forth horizontal flow layers at the top of the separation zone) and its impact on improved DAF efficiency. However, there has been a lack of experimental validation of CFD predictions, especially in the presence of solid particles. In this work, for the first time, both two-phase (air-water) and three-phase (air-water-solid particles) CFD models were evaluated at pilot scale using measurements of residence time distribution, bubble layer position and bubble-particle contact efficiency. The pilot-scale results confirmed the accuracy of the CFD model for both two-phase and three-phase flows, but showed that the accuracy of the three-phase CFD model would partly depend on the estimation of bubble-particle attachment efficiency.

Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems.

PubMed

Altabet, Y Elia; Fenley, Andreia L; Stillinger, Frank H; Debenedetti, Pablo G

2018-03-21

Particles with cohesive interactions display a tensile instability in the energy landscape at the Sastry density ρ S . The signature of this tensile limit is a minimum in the landscape equation of state, the pressure-density relationship of inherent structures sampled along a liquid isotherm. Our previous work [Y. E. Altabet, F. H. Stillinger, and P. G. Debenedetti, J. Chem. Phys. 145, 211905 (2016)] revisited the phenomenology of Sastry behavior and found that the evolution of the landscape equation of state with system size for particles with interactions typical of molecular liquids indicates the presence of an athermal first-order phase transition between homogeneous and fractured inherent structures, the latter containing several large voids. Here, we study how this tensile limit manifests itself for different interparticle cohesive strengths and identify two distinct regimes. Particles with sufficiently strong cohesion display an athermal first-order phase transition, consistent with our prior characterization. Weak cohesion also displays a tensile instability. However, the landscape equation of state for this regime is independent of system size, suggesting the absence of a first-order phase transition. An analysis of the voids suggests that yielding in the energy landscape of weakly cohesive systems is associated with the emergence of a highly interconnected network of small voids. While strongly cohesive systems transition from exclusively homogeneous to exclusively fractured configurations at ρ S in the thermodynamic limit, this interconnected network develops gradually, starting at ρ S , even at infinite system size.

Cavitation transition in the energy landscape: Distinct tensile yielding behavior in strongly and weakly attractive systems

NASA Astrophysics Data System (ADS)

Altabet, Y. Elia; Fenley, Andreia L.; Stillinger, Frank H.; Debenedetti, Pablo G.

2018-03-01

Particles with cohesive interactions display a tensile instability in the energy landscape at the Sastry density ρS. The signature of this tensile limit is a minimum in the landscape equation of state, the pressure-density relationship of inherent structures sampled along a liquid isotherm. Our previous work [Y. E. Altabet, F. H. Stillinger, and P. G. Debenedetti, J. Chem. Phys. 145, 211905 (2016)] revisited the phenomenology of Sastry behavior and found that the evolution of the landscape equation of state with system size for particles with interactions typical of molecular liquids indicates the presence of an athermal first-order phase transition between homogeneous and fractured inherent structures, the latter containing several large voids. Here, we study how this tensile limit manifests itself for different interparticle cohesive strengths and identify two distinct regimes. Particles with sufficiently strong cohesion display an athermal first-order phase transition, consistent with our prior characterization. Weak cohesion also displays a tensile instability. However, the landscape equation of state for this regime is independent of system size, suggesting the absence of a first-order phase transition. An analysis of the voids suggests that yielding in the energy landscape of weakly cohesive systems is associated with the emergence of a highly interconnected network of small voids. While strongly cohesive systems transition from exclusively homogeneous to exclusively fractured configurations at ρS in the thermodynamic limit, this interconnected network develops gradually, starting at ρS, even at infinite system size.

Rayleigh-Bénard turbulence modified by two-way coupled inertial, nonisothermal particles

NASA Astrophysics Data System (ADS)

Park, Hyungwon John; O'Keefe, Kevin; Richter, David H.

2018-03-01

Direct numerical simulation (DNS) combined with the Lagrangian point particle model is used to study Rayleigh-Bénard convection in order to understand modifications due to the interaction of inertial, nonisothermal particles with buoyancy-driven turbulence. In this system, turbulence can be altered through direct momentum coupling, as well as through buoyancy modification via thermal coupling between phases. We quantify the effect of the dispersed phase by changes to the total integrated turbulent kinetic energy (TKE) and Nusselt number (Nu). The dispersed particles experience gravitational settling and are introduced at the lower wall so that turbulence must overcome the settling velocity for the particles to vertically distribute throughout the domain. We focus primarily on particle inertia, settling velocity, mass fraction, and the ratio of the particle to fluid specific heat. Furthermore, individual contributions by the momentum coupling and thermal coupling are studied to see which most significantly changes Nu and TKE. Our results show that particles with Stokes number of order unity maximize Nu, corresponding to a peak of clustering and attenuation of TKE. Increased mass fractions lead to a linear increase of Nu and decrease of TKE. With varying specific heat ratio, Nu and TKE exhibit monotonic behaviors, where in the high limit particles become isothermal and depend upon the initialized particle temperature. It is also shown that particles two-way coupled only through momentum attenuate Nu and weaken TKE, while thermal-only coupling also weakens TKE but enhances Nu. When both couplings are present, however, thermal coupling overwhelms the momentum coupling attenuation, and the net result is an enhancement of Nu.

Interfacial Properties and Mechanisms Dominating Gas Hydrate Cohesion and Adhesion in Liquid and Vapor Hydrocarbon Phases.

PubMed

Hu, Sijia; Koh, Carolyn A

2017-10-24

The interfacial properties and mechanisms of gas hydrate systems play a major role in controlling their interparticle and surface interactions, which is desirable for nearly all energy applications of clathrate hydrates. In particular, preventing gas hydrate interparticle agglomeration and/or particle-surface deposition is critical to the prevention of gas hydrate blockages during the exploration and transportation of oil and gas subsea flow lines. These agglomeration and deposition processes are dominated by particle-particle cohesive forces and particle-surface adhesive force. In this study, we present the first direct measurements on the cohesive and adhesive forces studies of the CH 4 /C 2 H 6 gas hydrate in a liquid hydrocarbon-dominated system utilizing a high-pressure micromechanical force (HP-MMF) apparatus. A CH 4 /C 2 H 6 gas mixture was used as the gas hydrate former in the model liquid hydrocarbon phase. For the cohesive force baseline test, it was found that the addition of liquid hydrocarbon changed the interfacial tension and contact angle of water in the liquid hydrocarbon compared to water in the gas phase, resulting in a force of 23.5 ± 2.5 mN m -1 at 3.45 MPa and 274 K for a 2 h annealing time period in which hydrate shell growth occurs. It was observed that the cohesive force was inversely proportional to the annealing time, whereas the force increased with increasing contact time. For a longer contact time (>12 h), the force could not be measured because the two hydrate particles adhered permanently to form one large particle. The particle-surface adhesive force in the model liquid hydrocarbon was measured to be 5.3 ± 1.1 mN m -1 under the same experimental condition. Finally, with a 1 h contact time, the hydrate particle and the carbon steel (CS) surface were sintered together and the force was higher than what could be measured by the current apparatus. A possible mechanism is presented in this article to describe the effect of contact time on the particle-particle cohesive force based on the capillary liquid bridge model. A model adapted from the capillary liquid bridge equation has been used to predict the particle-particle cohesive force as a function of contact time, showing close agreement with the experimental data. By comparing the cohesive forces results from gas hydrates for both gas and liquid bulk phases, the surface free energy of a hydrate particle was calculated and found to dominate the changes in the interaction forces with different continuous bulk phases.

Three-dimensional mid-air acoustic manipulation by ultrasonic phased arrays.

PubMed

Ochiai, Yoichi; Hoshi, Takayuki; Rekimoto, Jun

2014-01-01

The essence of levitation technology is the countervailing of gravity. It is known that an ultrasound standing wave is capable of suspending small particles at its sound pressure nodes. The acoustic axis of the ultrasound beam in conventional studies was parallel to the gravitational force, and the levitated objects were manipulated along the fixed axis (i.e. one-dimensionally) by controlling the phases or frequencies of bolted Langevin-type transducers. In the present study, we considered extended acoustic manipulation whereby millimetre-sized particles were levitated and moved three-dimensionally by localised ultrasonic standing waves, which were generated by ultrasonic phased arrays. Our manipulation system has two original features. One is the direction of the ultrasound beam, which is arbitrary because the force acting toward its centre is also utilised. The other is the manipulation principle by which a localised standing wave is generated at an arbitrary position and moved three-dimensionally by opposed and ultrasonic phased arrays. We experimentally confirmed that expanded-polystyrene particles of 0.6 mm, 1 mm, and 2 mm in diameter could be manipulated by our proposed method.

Three-Dimensional Mid-Air Acoustic Manipulation by Ultrasonic Phased Arrays

PubMed Central

Ochiai, Yoichi; Hoshi, Takayuki; Rekimoto, Jun

2014-01-01

The essence of levitation technology is the countervailing of gravity. It is known that an ultrasound standing wave is capable of suspending small particles at its sound pressure nodes. The acoustic axis of the ultrasound beam in conventional studies was parallel to the gravitational force, and the levitated objects were manipulated along the fixed axis (i.e. one-dimensionally) by controlling the phases or frequencies of bolted Langevin-type transducers. In the present study, we considered extended acoustic manipulation whereby millimetre-sized particles were levitated and moved three-dimensionally by localised ultrasonic standing waves, which were generated by ultrasonic phased arrays. Our manipulation system has two original features. One is the direction of the ultrasound beam, which is arbitrary because the force acting toward its centre is also utilised. The other is the manipulation principle by which a localised standing wave is generated at an arbitrary position and moved three-dimensionally by opposed and ultrasonic phased arrays. We experimentally confirmed that expanded-polystyrene particles of 0.6 mm, 1 mm, and 2 mm in diameter could be manipulated by our proposed method. PMID:24849371

Images reveal that atmospheric particles can undergo liquid–liquid phase separations

PubMed Central

You, Yuan; Renbaum-Wolff, Lindsay; Carreras-Sospedra, Marc; Hanna, Sarah J.; Hiranuma, Naruki; Kamal, Saeid; Smith, Mackenzie L.; Zhang, Xiaolu; Weber, Rodney J.; Shilling, John E.; Dabdub, Donald; Martin, Scot T.; Bertram, Allan K.

2012-01-01

A large fraction of submicron atmospheric aerosol particles contains both organic material and inorganic salts. As the relative humidity cycles in the atmosphere and the water content of the particles correspondingly changes, these mixed particles can undergo a range of phase transitions, possibly including liquid–liquid phase separation. If liquid–liquid phase separation occurs, the gas-particle partitioning of atmospheric semivolatile organic compounds, the scattering and absorption of solar radiation, and the reactive uptake of gas species on atmospheric particles may be affected, with important implications for climate predictions. The actual occurrence of liquid–liquid phase separation within individual atmospheric particles has been considered uncertain, in large part because of the absence of observations for real-world samples. Here, using optical and fluorescence microscopy, we present images that show the coexistence of two noncrystalline phases for real-world samples collected on multiple days in Atlanta, GA as well as for laboratory-generated samples under simulated atmospheric conditions. These results reveal that atmospheric particles can undergo liquid–liquid phase separations. To explore the implications of these findings, we carried out simulations of the Atlanta urban environment and found that liquid–liquid phase separation can result in increased concentrations of gas-phase NO3 and N2O5 due to decreased particle uptake of N2O5. PMID:22847443

Images reveal that atmospheric particles can undergo liquid-liquid phase separations.

PubMed

You, Yuan; Renbaum-Wolff, Lindsay; Carreras-Sospedra, Marc; Hanna, Sarah J; Hiranuma, Naruki; Kamal, Saeid; Smith, Mackenzie L; Zhang, Xiaolu; Weber, Rodney J; Shilling, John E; Dabdub, Donald; Martin, Scot T; Bertram, Allan K

2012-08-14

A large fraction of submicron atmospheric aerosol particles contains both organic material and inorganic salts. As the relative humidity cycles in the atmosphere and the water content of the particles correspondingly changes, these mixed particles can undergo a range of phase transitions, possibly including liquid-liquid phase separation. If liquid-liquid phase separation occurs, the gas-particle partitioning of atmospheric semivolatile organic compounds, the scattering and absorption of solar radiation, and the reactive uptake of gas species on atmospheric particles may be affected, with important implications for climate predictions. The actual occurrence of liquid-liquid phase separation within individual atmospheric particles has been considered uncertain, in large part because of the absence of observations for real-world samples. Here, using optical and fluorescence microscopy, we present images that show the coexistence of two noncrystalline phases for real-world samples collected on multiple days in Atlanta, GA as well as for laboratory-generated samples under simulated atmospheric conditions. These results reveal that atmospheric particles can undergo liquid-liquid phase separations. To explore the implications of these findings, we carried out simulations of the Atlanta urban environment and found that liquid-liquid phase separation can result in increased concentrations of gas-phase NO(3) and N(2)O(5) due to decreased particle uptake of N(2)O(5).

Neutral Mass Spectrometry of Mega-Dalton Particles with Single-Particle Resolution using a Nano-Electromechanical System

NASA Astrophysics Data System (ADS)

Kelber, Scott; Hanay, Mehmet; Naik, Akshay; Chi, Derrick; Hentz, Sebastien; Bullard, Caryn; Collinet, Eric; Duraffourg, Laurent; Roukes, Michael

2012-02-01

Nanoelectromechanical systems (NEMS) enable mass sensing with unprecedented sensitivity and mass dynamic range. Previous works have relied on statistical analysis of multiple landing events to assemble mass spectra. Here we demonstrate the utility of using multiple modes of the NEMS device in determining the mass of individual molecules landing on the NEMS. Analyte particles in vapor form are produced using matrix assisted laser desorption ionization. Resonant frequencies of the first two modes of a single NEMS device, placed in close proximity to the analyte source, are tracked using parallel phase locked loops. Each analyte molecule landing on the NEMS generates a distinct frequency shift in the two modes. These time correlated frequency jumps are used to evaluate the mass of each analyte particle landing on the NEMS and thus generate mass spectra. We present the latest experimental results using this scheme and also demonstrate the utility for mass spectrometry of large biomolecules. This NEMS-Mass Spec. system offers a new tool for structural biology and pathology for the analysis of large proteins, protein complexes, and viruses.

Improving particle beam acceleration in plasmas

NASA Astrophysics Data System (ADS)

C. de Sousa, M.; L. Caldas, I.

2018-04-01

The dynamics of wave-particle interactions in magnetized plasmas restricts the wave amplitude to moderate values for particle beam acceleration from rest energy. We analyze how a perturbing invariant robust barrier modifies the phase space of the system and enlarges the wave amplitude interval for particle acceleration. For low values of the wave amplitude, the acceleration becomes effective for particles with initial energy close to the rest energy. For higher values of the wave amplitude, the robust barrier controls chaos in the system and restores the acceleration process. We also determine the best position for the perturbing barrier in phase space in order to increase the final energy of the particles.

Nanoparticle Analysis by Online Comprehensive Two-Dimensional Liquid Chromatography combining Hydrodynamic Chromatography and Size-Exclusion Chromatography with Intermediate Sample Transformation

PubMed Central

2017-01-01

Polymeric nanoparticles have become indispensable in modern society with a wide array of applications ranging from waterborne coatings to drug-carrier-delivery systems. While a large range of techniques exist to determine a multitude of properties of these particles, relating physicochemical properties of the particle to the chemical structure of the intrinsic polymers is still challenging. A novel, highly orthogonal separation system based on comprehensive two-dimensional liquid chromatography (LC × LC) has been developed. The system combines hydrodynamic chromatography (HDC) in the first-dimension to separate the particles based on their size, with ultrahigh-performance size-exclusion chromatography (SEC) in the second dimension to separate the constituting polymer molecules according to their hydrodynamic radius for each of 80 to 100 separated fractions. A chip-based mixer is incorporated to transform the sample by dissolving the separated nanoparticles from the first-dimension online in tetrahydrofuran. The polymer bands are then focused using stationary-phase-assisted modulation to enhance sensitivity, and the water from the first-dimension eluent is largely eliminated to allow interaction-free SEC. Using the developed system, the combined two-dimensional distribution of the particle-size and the molecular-size of a mixture of various polystyrene (PS) and polyacrylate (PACR) nanoparticles has been obtained within 60 min. PMID:28745485

Biological applications of phase-contrast electron microscopy.

PubMed

Nagayama, Kuniaki

2014-01-01

Here, I review the principles and applications of phase-contrast electron microscopy using phase plates. First, I develop the principle of phase contrast based on a minimal model of microscopy, introducing a double Fourier-transform process to mathematically formulate the image formation. Next, I explain four phase-contrast (PC) schemes, defocus PC, Zernike PC, Hilbert differential contrast, and schlieren optics, as image-filtering processes in the context of the minimal model, with particular emphases on the Zernike PC and corresponding Zernike phase plates. Finally, I review applications of Zernike PC cryo-electron microscopy to biological systems such as protein molecules, virus particles, and cells, including single-particle analysis to delineate three-dimensional (3D) structures of protein and virus particles and cryo-electron tomography to reconstruct 3D images of complex protein systems and cells.

Morphology and Optical Properties of Mixed Aerosol Particles

NASA Astrophysics Data System (ADS)

Fard, Mehrnoush M.; Krieger, Ulrich; Rudich, Yinon; Marcolli, Claudia; Peter, Thomas

2015-04-01

Experiments and modeling studies have shown that deliquesced aerosols can be present not only as one-phase system containing organics, inorganic salts and water, but often as two-phase systems consisting of a predominantly organic and a predominantly inorganic aqueous phase 1,2. Recent laboratory studies conducted with model mixtures representing tropospheric aerosols1,2,3, secondary organic aerosol (SOA) from smog chamber experiments4, and field measurements5 suggest that liquid- liquid phase separations (LLPS) is indeed a common phenomenon in mixed organic/ ammonium sulfate (AS) particles. During LLPS, particles may adopt different morphologies mainly core- shell and partially engulfed. A core- shell configuration will have consequences for heterogeneous chemistry and hygroscopicity and as a result will alter the optical properties of the particles since the aqueous inorganic-rich phase will be totally enclosed by a probably highly viscous organic coating with low diffusivity for reactants and water. The primary objective of this project is to establish a method for investigating the morphology of mixed inorganic and absorbing organic compounds of atmospheric relevance and study their radiative properties before, during, and after phase transitions mainly during LLPS. This will be the first study looking into the radiative effect of LLPS in detail. In this first experiment, the behavior of single droplets of carminic acid (CA)/ AS/ H2O mixture was monitored during relative humidity (RH) cycles using optical microscopy. The same mixture particle was levitated in an electrodynamic balance (EDB) and the change in its absorption properties was measured at varying RH. We also intend to determine the occurrence of LLPS in accumulation- sized particles and the change in their absorption using a cavity ring down aerosol spectrometer. If LLPS alters the absorptive properties of the suggested model aerosols significantly, absorption measurements of accumulation mode particles of the same composition would allow proving that LLPS indeed occurs in particles of atmospheric relevant size ranges. Up to now this prove is missing. References: 1. Bertram, et al. Atmos. Chem & Phys, 11(21), 10995-11006, 2011. 2. Krieger, et al. Chemical Society Reviews, 41(19), 6631-6662, 2012 3. Song, M. et al. Geophys Res Lett, 39(19), 2012b 4. Smith et al. Atmos Chem & Phys, 12(20), 9613- 9628, 2012. 5. You, Y. et al. Proceedings of the National Academy of Sciences, 109(33), 13188-13193, 2012.

Measurement of the Shear Lift Force on a Bubble in a Channel Flow

NASA Technical Reports Server (NTRS)

Nahra, Henry K.; Motil, Brian; Skor, Mark

2005-01-01

Two-phase flow systems play vital roles in the design of some current and anticipated space applications of two-phase systems which include: thermal management systems, transfer line flow in cryogenic storage, space nuclear power facilities, design and operation of thermal bus, life support systems, propulsion systems, In Situ Resource Utilization (ISRU), and space processes for pharmaceutical applications. The design of two-phase flow systems for space applications requires a clear knowledge of the behaviors of the dispersed phase (bubble), its interaction with the continuous phase (liquid) and its effect on heat and mass transfer processes, The need to understand the bubble generation process arises from the fact that for all space applications, the size and distribution of bubbles are extremely crucial for heat and mass transfer control. One important force in two-phase flow systems is the lift force on a bubble or particle in a liquid shear flow. The shear lift is usually overwhelmed by buoyancy in normal gravity, but it becomes an important force in reduced gravity. Since the liquid flow is usually sheared because of the confining wall, the trajectories of bubbles and particles injected into the liquid flow are affected by the shear lift in reduced gravity. A series of experiments are performed to investigate the lift force on a bubble in a liquid shear flow and its effect on the detachment of a bubble from a wall under low gravity conditions. Experiments are executed in a Poiseuille flow in a channel. An air-water system is used in these experiments that are performed in the 2.2 second drop tower. A bubble is injected into the shear flow from a small injector and the shear lift is measured while the bubble is held stationary relative to the fluid. The trajectory of the bubble prior, during and after its detachment from the injector is investigated. The measured shear lift force is calculated from the trajectory of the bubble at the detachment point. These values for the shear lift are then compared with the theoretical predictions from various published works on shear lift in the open literature, which include asymptotic solutions at low bubble Reynolds number, potential flow predictions and numerical studies that deal with intermediate bubble Reynolds numbers.

ELECTRONIC PHASE CONTROL CIRCUIT

DOEpatents

Salisbury, J.D.; Klein, W.W.; Hansen, C.F.

1959-04-21

An electronic circuit is described for controlling the phase of radio frequency energy applied to a multicavity linear accelerator. In one application of the circuit two cavities are excited from a single radio frequency source, with one cavity directly coupled to the source and the other cavity coupled through a delay line of special construction. A phase detector provides a bipolar d-c output signal proportional to the difference in phase between the voltage in the two cavities. This d-c signal controls a bias supply which provides a d-c output for varying the capacitnce of voltage sensitive capacitors in the delay line. The over-all operation of the circuit is completely electronic, overcoming the time response limitations of the electromechanical control systems, and the relative phase relationship of the radio frequency voltages in the two caviiies is continuously controlled to effect particle acceleration.

Experimental investigation of water distribution in a two-phase zone during gravity-dominated evaporation

NASA Astrophysics Data System (ADS)

Cejas, Cesare M.; Castaing, Jean-Christophe; Hough, Larry; Frétigny, Christian; Dreyfus, Rémi

2017-12-01

We characterize the water repartition within the partially saturated (two-phase) zone (PSZ) during evaporation from mixed wettable porous media by controlling the wettability of glass beads, their sizes, and as well the surrounding relative humidity. Here, capillary numbers are low and under these conditions, the percolating front is stabilized by gravity. Using experimental and numerical analyses, we find that the PSZ saturation decreases with the Bond number, where packing of smaller particles have higher saturation values than packing made of larger particles. Results also reveal that the extent (height) of the PSZ, as well as water saturation in the PSZ, both increase with wettability. We also numerically calculate the saturation exclusively contained in connected liquid films and results show that values are less than the expected PSZ saturation. These results strongly reflect that the two-phase zone is not solely made up of connected capillary networks but also made of disconnected water clusters or pockets. Moreover, we also find that global saturation (PSZ + full wet zone) decreases with wettability, confirming that greater quantity of water is lost via evaporation with increasing hydrophilicity. These results show that connected liquid films are favored in more-hydrophilic systems while disconnected water pockets are favored in less-hydrophilic systems.

DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

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

X. Wang; X. Sun; H. Zhao

In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do notmore » exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in which flow regime transition occurs.« less

Applicability of empirical data currently used in predicting solid propellant exhaust plumes

NASA Technical Reports Server (NTRS)

Tevepaugh, J. A.; Smith, S. D.; Penny, M. M.; Greenwood, T.; Roberts, B. B.

1977-01-01

Theoretical and experimental approaches to exhaust plume analysis are compared. A two-phase model is extended to include treatment of reacting gas chemistry, and thermodynamical modeling of the gaseous phase of the flow field is considered. The applicability of empirical data currently available to define particle drag coefficients, heat transfer coefficients, mean particle size, and particle size distributions is investigated. Experimental and analytical comparisons are presented for subscale solid rocket motors operating at three altitudes with attention to pitot total pressure and stagnation point heating rate measurements. The mathematical treatment input requirements are explained. The two-phase flow field solution adequately predicts gasdynamic properties in the inviscid portion of two-phase exhaust plumes. It is found that prediction of exhaust plume gas pressures requires an adequate model of flow field dynamics.

Coarsening in Solid-Liquid Mixtures Studied on the Space Shuttle

NASA Technical Reports Server (NTRS)

Caruso, John J.

1999-01-01

Ostwald ripening, or coarsening, is a process in which large particles in a two-phase mixture grow at the expense of small particles. It is a ubiquitous natural phenomena occurring in the late stages of virtually all phase separation processes. In addition, a large number of commercially important alloys undergo coarsening because they are composed of particles embedded in a matrix. Many of them, such as high-temperature superalloys used for turbine blade materials and low-temperature aluminum alloys, coarsen in the solid state. In addition, many alloys, such as the tungsten-heavy metal systems, coarsen in the solid-liquid state during liquid phase sintering. Numerous theories have been proposed that predict the rate at which the coarsening process occurs and the shape of the particle size distribution. Unfortunately, these theories have never been tested using a system that satisfies all the assumptions of the theory. In an effort to test these theories, NASA studied the coarsening process in a solid-liquid mixture composed of solid tin particles in a liquid lead-tin matrix. On Earth, the solid tin particles float to the surface of the sample, like ice in water. In contrast, in a microgravity environment this does not occur. The microstructures in the ground- and space-processed samples (see the photos) show clearly the effects of gravity on the coarsening process. The STS-83-processed sample (right image) shows nearly spherical uniformly dispersed solid tin particles. In contrast, the identically processed, ground-based sample (left image) shows significant density-driven, nonspherical particles, and because of the higher effective solid volume fraction, a larger particle size after the same coarsening time. The "Coarsening in Solid-Liquid Mixtures" (CSLM) experiment was conducted in the Middeck Glovebox facility (MGBX) flown aboard the shuttle in the Microgravity Science Laboratory (MSL-1/1R) on STS-83/94. The primary objective of CSLM is to measure the temporal evolution of the solid particles during coarsening.

Airflow and Particle Transport Through Human Airways: A Systematic Review

NASA Astrophysics Data System (ADS)

Kharat, S. B.; Deoghare, A. B.; Pandey, K. M.

2017-08-01

This paper describes review of the relevant literature about two phase analysis of air and particle flow through human airways. An emphasis of the review is placed on elaborating the steps involved in two phase analysis, which are Geometric modelling methods and Mathematical models. The first two parts describes various approaches that are followed for constructing an Airway model upon which analysis are conducted. Broad two categories of geometric modelling viz. Simplified modelling and Accurate modelling using medical scans are discussed briefly. Ease and limitations of simplified models, then examples of CT based models are discussed. In later part of the review different mathematical models implemented by researchers for analysis are briefed. Mathematical models used for Air and Particle phases are elaborated separately.

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential.

PubMed

Chen, Wenduo; Zhu, Youliang; Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures.

GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential

PubMed Central

Cui, Fengchao; Liu, Lunyang; Sun, Zhaoyan; Chen, Jizhong; Li, Yunqi

2016-01-01

Gay-Berne (GB) potential is regarded as an accurate model in the simulation of anisotropic particles, especially for liquid crystal (LC) mesogens. However, its computational complexity leads to an extremely time-consuming process for large systems. Here, we developed a GPU-accelerated molecular dynamics (MD) simulation with coarse-grained GB potential implemented in GALAMOST package to investigate the LC phase transitions for mesogens in small molecules, main-chain or side-chain polymers. For identical mesogens in three different molecules, on cooling from fully isotropic melts, the small molecules form a single-domain smectic-B phase, while the main-chain LC polymers prefer a single-domain nematic phase as a result of connective restraints in neighboring mesogens. The phase transition of side-chain LC polymers undergoes a two-step process: nucleation of nematic islands and formation of multi-domain nematic texture. The particular behavior originates in the fact that the rotational orientation of the mesogenes is hindered by the polymer backbones. Both the global distribution and the local orientation of mesogens are critical for the phase transition of anisotropic particles. Furthermore, compared with the MD simulation in LAMMPS, our GPU-accelerated code is about 4 times faster than the GPU version of LAMMPS and at least 200 times faster than the CPU version of LAMMPS. This study clearly shows that GPU-accelerated MD simulation with GB potential in GALAMOST can efficiently handle systems with anisotropic particles and interactions, and accurately explore phase differences originated from molecular structures. PMID:26986851

Detuning-Controlled Internal Oscillations in an Exciton-Polariton Condensate

NASA Astrophysics Data System (ADS)

Voronova, N. S.; Elistratov, A. A.; Lozovik, Yu. E.

2015-10-01

We theoretically analyze exciton-photon oscillatory dynamics within a homogenous polariton gas in the presence of energy detuning between the cavity and quantum well modes. Whereas pure Rabi oscillations consist of the particle exchange between the photon and exciton states in the polariton system without any oscillations of the phases of the two subcondensates, we demonstrate that any nonzero detuning results in oscillations of the relative phase of the photon and exciton macroscopic wave functions. Different initial conditions reveal a variety of behaviors of the relative phase between the two condensates, and a crossover from Rabi-like to Josephson-like oscillations is predicted.

Computational study of the shock driven instability of a multiphase particle-gas system

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

None, None

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

DOE PAGES

None, None

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

NASA Astrophysics Data System (ADS)

McFarland, Jacob A.; Black, Wolfgang J.; Dahal, Jeevan; Morgan, Brandon E.

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability similar in some ways to the Richtmyer-Meshkov instability but with a larger parameter space. As this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a time leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1 μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. Depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.

The Rapid Distortion of Two-Way Coupled Particle-Laden Turbulence

NASA Astrophysics Data System (ADS)

Kasbaoui, Mohamed; Koch, Donald; Desjardins, Olivier

2017-11-01

The modulation of sheared turbulence by dispersed particles is addressed in the two-way coupling regime. The preferential sampling of the straining regions of the flow by inertial particles in turbulence leads to the formation of clusters. These fast sedimenting particle structures cause the anisotropic alteration of turbulence at small scales in the direction of gravity. These effects are investigated in a revisited Rapid Distortion Theory (RDT), extended for two-way coupled particle-laden flows. To make the analysis tractable, we assume that particles have small but non-zero inertia. In the classical results for single-phase flows, the RDT assumption of fast shearing compared to the turbulence time scales leads to the distortion of ``frozen'' turbulence. In particle-laden turbulence, the coupling between the two phases remains strong even under fast shearing and leads to a dynamic modulation of the turbulence spectrum. Turbulence statistics obtained from RDT are compared with Euler-Lagrange simulations of homogeneously sheared particle-laden turbulence.

Creation, Phase Change and Evolution of the Universe Based on the "Convection Bang Hypothesis"

NASA Astrophysics Data System (ADS)

Gholibeigian, Hassan; Amirshahkarami, Abdolazim; Gholibeigian, Kazem

2016-04-01

In our vision, it is believed that creation and phase change of universe and their coupling began by the gigantic Large Scale Forced Convection System (LSFCS) in very high temperature including a swirling wild wind and energetic particles like gravitons. That wind as the creator of the inflation process was carrying many Quantum Convection Loops (QCLs). Those QCLs have been transformed to black holes as the cores of galaxies. Convection Bang (CB) Model for creation, phase change and evolution of the Universe is constituted based on three assumptions as follows: The first is: "Gravity Hypothesis" that describes the gravity fields generation by the LSFCSs of the heat and mass inside the planets, stars, galaxies and clusters. The LSFCS changes the material properties of the domain and produces coupling of the matched electromagnetic and gravity fields. Gravity hypothesis is a new way to understand gravitation phenomenon which is different from the both Newton's law of gravity and Einstein's theory of general relativity approaches [Gholibeigian et. al, AGU Fall Meeting 2015, P11A-2056 ]. The second is: "Substantial Motion" theory of Iranian philosopher, Mulla Sadra (1571/2-1640), which describes space-time, time's relativity for all atoms (bodies) which are different from each other [Gholibeigian, APS April Meeting 2015, abstract #L1.027], atom's (body) volume squeezing, black hole's mass lightening while increases the velocities of its involved masses inward (a paradox with general relativity), and changes of material properties and geometries in speed of near light speed [Gholibeigian, APS March Meeting 2016, abstract #]. The third is: "Animated Sub-particles" model. These sub-particles (sub-strings) are origin of life and creator of the momentums of the fundamental particles and forces, and basic link of the information transfer to them, [Gholibeigian, APS April Meeting 2015, abstract #L1.027]. In this model, there are four proposed animated sub-particles of mater, plant, animal and human in substructure of each fundamental particle (string) as the origins of life and cause of differences between their spins. Material's sub-particle is always on and active (from beginning of CB). When the environmental conditions became ready for creation of each field of the plants, animals and humans, sub-particles of their elementary particles became on and active and then, those elementary particles participated in processes of creation (phase change) in their own fields. Sub-particles lead the fundamental particles in both individually and systematic (nucleons, atoms, molecules, gens, us...) forms. Sub-particles' system is inside of particles' (bodies)' system. Mechanism: Universe has been managed by coupling of these three assumptions in two micro and macro coupling scales. God, as the main source of information, has been communicated with sub-particles and transfers a package (bit) of information and laws (plus standard ethics for human's sub-particles) to each of them from their inside and outside for process and selection (mutation) of the next step of the motion (phase change) and coupling/communication of their fundamental particles with each other in each Plank's time (or smaller scale). This process is causality for particles' motion in quantum scale too [Gholibeigian, APS March Meeting 2015, abstract #V1.023].

Methylsilane derived silicon carbide particle coatings produced by fluid-bed chemical vapor deposition

NASA Astrophysics Data System (ADS)

Miller, James Henry

This report describes the research effort that was undertaken to develop and understand processing techniques for the deposition of both low and high density SiC coatings from a non-halide precursor, in support of the Generation IV Gas-Cooled Fast Reactor (GFR) fuel development program. The research was conducted in two phases. In the first phase, the feasibility of producing both porous SiC coatings and dense SiC coatings on surrogate fuel particles by fluidized bed chemical vapor deposition (FBCVD) using gas mixtures of methylsilane and argon was demonstrated. In the second phase, a combined experimental and modeling effort was carried out in order to gain an understanding of the deposition mechanisms that result in either porous or dense SiC coatings, depending on the coating conditions. For this second phase effort, a simplified (compared to the fluid bed) single-substrate chemical vapor deposition (CVD) system was employed. Based on the experimental and modeling results, the deposition of SiC from methylsilane is controlled by the extent of gas-phase reaction, and is therefore highly sensitive to temperature. The results show that all SiC coatings are due to the surface adsorption of species that result from gas-phase reactions. The model terms these gas-borne species embryos, and while the model does not include a prediction of coating morphology, a comparison of the model and experimental results indicates that the morphology of the coatings is controlled by the nucleation and growth of the embryos. The coating that results from small embryos (embryos with only two Si-C pairs) appears relatively dense and continuous, while the coating that results from larger embryos becomes less continuous and more nodular as embryo size increases. At some point in the growth of embryos they cease to behave as molecular species and instead behave as particles that grow by either agglomeration or by incorporation of molecular species on their surface. As these particles adhere to the substrate surface and become fixed in place by surface deposition in the interstices between adjacent particles, a low density coating consisting of these particles results.

Passivation process and the mechanism of packing particles in the Fe0/GAC system during the treatment of ABS resin wastewater.

PubMed

Lai, Bo; Zhou, Yuexi; Wang, Juling; Zhang, Yunhong; Chen, Zhiqiang

2014-01-01

This study provides mechanistic insights into the passivation of the packing particles during the treatment of acrylonitrile-butadiene-styrene (ABS) resin wastewater by the Fe0/GAC system. The granular-activated carbon (GAC) and iron chippings (Fe0) were mixed together with a volumetric ratio of 1:1. GAC has a mean particle size of approximately 3-5 mm, a specific surface of 748 m2 g(-1), a total pore volume of 0.48 mL g(-1) and a bulk density of 0.49 g cm(-3). The iron chippings have a compact and non-porous surface morphology. The results show that the packing particles in the Fe0/GAC system would lose their activity because the removal of TOC and PO4(3-) for ABS resin wastewater could not carried out by the Fe0/GAC system after 40 days continuous running. Meanwhile, the availability of O2 and intrinsic reactivity of Fe0 play a key role on the form of passive film with different iron oxidation states. The passive film on the surface of iron chippings was formed by two phases: (a) local corrosion phase (0-20 d) and (b) co-precipitation phase (20-40 d), while that of GAC was mainly formed by the co-precipitation of corrosion products with SO4(2-) and PO4(3-) because SO4(2-) and PO4(3-) would not easily reach the Fe0 surface. Therefore, in order to avoid the occurrence of filler passivation, high concentrations of SO4(2-) and PO4(3-) in wastewater should be removed before the treatment process of the Fe/GAC system.

Probing the Pathways and Interactions Controlling Crystallization by Particle Attachment

NASA Astrophysics Data System (ADS)

De Yoreo, J. J.; Li, D.; Chun, J.; Schenter, G.; Mundy, C.; Rosso, K. M.

2016-12-01

Crystallization by particle attachment appears to be a widespread mechanism of mineralization. Yet many long-standing questions surrounding nucleation and assembly of precursor particles remain unanswered, due in part to a lack of tools to probe mineralization dynamics with adequate spatial and temporal resolution. Here we report results of liquid phase TEM studies of nucleation and particle assembly in a number of mineral systems. We interpret the results within a framework that considers the impact of both the complexity of free energy landscapes and kinetic factors associated with high supersaturation or slow dynamics. In the calcium carbonate system, the need for high supersturations to overcome the high barrier to nucleation of calcite leads to simultaneous occurrence of multiple pathways, including direct formation of all the common ploymorphs, as well as two-step pathways through which initial precursors, particularly ACC, undergo a direct transformation to a more stable phase. Introduction of highly charged polymers that bind calcium inhibits nucleation, but directs the pathway to a metastable amorphous phase that no longer transforms to more stable polymorphs. Experiments in the iron oxide and oxyhydroxide systems show that, when high supersaturations lead to nucleation of many nanoprticles, further growth occurs through a combination of particle aggregation events and Ostwald ripening. In some cases, aggregation occurs only through oriented attachment on lattice matched faces, leading to single crystals with complex topologies and internal twin boundaries, while in others aggregation results initially in poor co-alignment, but over time the particles undergo atomic rearrangements to achieve a single crystal structure. AFM-based measurements of forces between phyllosilicate surfaces reveal the importance of long-range dispersion interactions in driving alignment, as well as the impact of electrolyte concentration and temperature on the competition of those attractive forces with repulsive electrostatic interactions. Taken together, the results help to define an emerging framework for understanding crystallization by particle attachment.

Statistical crossover characterization of the heterotic localized-extended transition.

PubMed

Ugajin, Ryuichi

2003-07-01

We investigated the spectral statistics of a quantum particle in a superlattice consisting of a disordered layer and a clean layer, possibly accompanied by random magnetic fields. Because a disordered layer has localized states and a clean layer has extended states, our quantum system shows a heterotic phase of an Anderson insulator and a normal metal. As the ratio of the volume of these two layers changes, the spectral statistics change from Poissonian to one of the Gaussian ensembles which characterize quantum chaos. A crossover distribution specified by two parameters is introduced to distinguish the transition from an integrable system to a quantum chaotic system during the heterotic phase from an Anderson transition in which the degree of random potentials is homogenous.

Hydrodynamic interaction of trapped active Janus particles in two dimensions

NASA Astrophysics Data System (ADS)

Debnath, Tanwi; Li, Yunyun; Ghosh, Pulak K.; Marchesoni, Fabio

2018-04-01

The dynamics of a pair of identical artificial microswimmers bound inside two harmonic traps, in a thin sheared fluid film, is numerically investigated. In a two-dimensional Oseen approximation, the hydrodynamic pair coupling is long-ranged and proportional to the particle radius to film thickness ratio. On increasing such ratio above a certain threshold, a transition occurs between a free regime, where each swimmer orbits in its own trap with random phase, and a strong synchronization regime, where the two swimmers strongly repel each other to an average distance larger than both the trap distance and their free orbit diameter. Moreover, the swimmers tend to synchronize their positions opposite the center of the system.

Simulation of the injection damping and resonance correction systems for the HEB of the SSC

NASA Astrophysics Data System (ADS)

Li, M.; Zhang, P.; Machida, S.

1993-12-01

An injection damping and resonance correction system for the High Energy Booster (HEB) of the Superconducting Super Collider (SSC) was investigated by means of multiparticle tracking. For an injection damping study, the code Simpsons is modified to utilize two Beam Position Monitors (BPM) and two dampers. The particles of 200 Gev/c, numbered 1024 or more, with Gaussian distribution in 6-D phase space are injected into the HEB with certain injection offsets. The whole bunch of particles is then kicked in proportion to the BPM signals with some upper limit. Tracking these particles up to several hundred turns while the damping system is acting shows the turn-by-turn emittance growth, which is caused by the tune spread due to nonlinearity of the lattice and residual chromaticity with synchrotron oscillations. For a resonance correction study, the operating tune is scanned as a function of time so that a bunch goes through a resonance. The performance of the resonance correction system is demonstrated. We optimize the system parameters which satisfy the emittance budget of the HEB, taking into account the realistic hardware requirement.

Mechanical behavior of shock-wave consolidated nano and micron-sized aluminum/silicon carbide and aluminum/aluminum oxide two-phase systems characterized by light and electron metallography

NASA Astrophysics Data System (ADS)

Alba-Baena, Noe Gaudencio

This dissertation reports the results of the exploratory study of two-phase systems consisting of 150 microm diameter aluminum powder mechanically mixed with 30 nm and 30 microm diameter SiC and Al2O3 powders (in volume fractions of 2, 4, and 21 percent). Powders were mechanically mixed and green compacted to ˜80% theorical density in a series of cylindrical fixtures (steel tubes). The compacted arrangements were explosively consolidated using ammonium nitrate-fuel oil (ANFO) to form stacks of two-phase systems. As result, successfully consolidated cylindrical monoliths of 50 mm (height) x 32 mm (in diameter) were obtained. By taking advantage of the use of SWC (shock wave consolidation) and WEDM (wire-electric discharge machining), the heterogeneous systems were machined in a highly efficiency rate. The sample cuts used for characterization and mechanical properties testing, require the use of less that 10cc of each monolith, in consequence there was preserved an average of 60% of the obtained system monoliths. Consolidated test cylinders of the pure Al and two-phase composites were characterized by optical metallography and TEM. The light micrographs for the five explosively consolidated regimes: aluminum powder, nano and micron-sized Al/Al2O3 systems, and the nano and micron-sized Al/SiC systems exhibit similar ductility in the aluminum grains. Low volume fraction systems exhibit small agglomerations at the grain boundaries for the Al/Al2O3 system and the Al/SiC system reveal a well distributed phase at the grain boundaries. Large and partially bonded agglomerations were observable in the nano-sized high volume fraction (21%) systems, while the micron-sized Al/ceramic systems exhibit homogeneous distribution along the aluminum phase grains. TEM images showed the shock-induced dislocation cell structure, which has partially recrystallized to form a nano grain structure in the consolidated aluminum powder. Furthermore, the SiC nano-agglomerates appeared to have been shock consolidated into a contiguous phase regime bonded to aluminum grains in the nano-sized Al/SiC systems. Mechanical properties were measured from the pure Al powder reference monoliths showing that the starting Al powder had a Vickers hardness of ˜24HV 25; in contrast to pure Al explosively consolidated reference cylinders that had a residual hardness of ˜43HV25. Average Rockwell hardnesses were also compared with room temperature stress-strain data measured for tensile specimens cut from the test cylinders. The results were compared with rule-of-mixtures formalisms applied to these novel two-phase systems. Correspondingly the Rockwell hardness for 21% SiC and Al2O3 mixtures in Al increased by ˜60%, from the Al reference (single-phase) monolith; while the elongation declined by ˜60%. The prominent Al intergranular-like fracture within the 21% (volume) SiC or Al2O3 phase regime was observed by SEM. At 21% (volume) SiC a distinct 2-phase Al/SiC regime was formed with fracture occurring prominently in the SiC consolidated phase. The fracture surface features are somewhat characteristic of the signature variation in the stress-strain diagrams. The aluminum ductile-dimple fracture characteristics, the failure around the SiC particles and particle agglomerates producing the discontinuous yield-like phenomenon and the poor mechanical behavior of the nano-sized Al/SiC systems are characteristic of the significantly different fracture features.

GPU acceleration of Eulerian-Lagrangian particle-laden turbulent flow simulations

NASA Astrophysics Data System (ADS)

Richter, David; Sweet, James; Thain, Douglas

2017-11-01

The Lagrangian point-particle approximation is a popular numerical technique for representing dispersed phases whose properties can substantially deviate from the local fluid. In many cases, particularly in the limit of one-way coupled systems, large numbers of particles are desired; this may be either because many physical particles are present (e.g. LES of an entire cloud), or because the use of many particles increases statistical convergence (e.g. high-order statistics). Solving the trajectories of very large numbers of particles can be problematic in traditional MPI implementations, however, and this study reports the benefits of using graphical processing units (GPUs) to integrate the particle equations of motion while preserving the original MPI version of the Eulerian flow solver. It is found that GPU acceleration becomes cost effective around one million particles, and performance enhancements of up to 15x can be achieved when O(108) particles are computed on the GPU rather than the CPU cluster. Optimizations and limitations will be discussed, as will prospects for expanding to two- and four-way coupled systems. ONR Grant No. N00014-16-1-2472.

An incompressible two-dimensional multiphase particle-in-cell model for dense particle flows

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

Snider, D.M.; O`Rourke, P.J.; Andrews, M.J.

1997-06-01

A two-dimensional, incompressible, multiphase particle-in-cell (MP-PIC) method is presented for dense particle flows. The numerical technique solves the governing equations of the fluid phase using a continuum model and those of the particle phase using a Lagrangian model. Difficulties associated with calculating interparticle interactions for dense particle flows with volume fractions above 5% have been eliminated by mapping particle properties to a Eulerian grid and then mapping back computed stress tensors to particle positions. This approach utilizes the best of Eulerian/Eulerian continuum models and Eulerian/Lagrangian discrete models. The solution scheme allows for distributions of types, sizes, and density of particles,more » with no numerical diffusion from the Lagrangian particle calculations. The computational method is implicit with respect to pressure, velocity, and volume fraction in the continuum solution thus avoiding courant limits on computational time advancement. MP-PIC simulations are compared with one-dimensional problems that have analytical solutions and with two-dimensional problems for which there are experimental data.« less

Nonequilibrium phase diagram of a one-dimensional quasiperiodic system with a single-particle mobility edge

NASA Astrophysics Data System (ADS)

Purkayastha, Archak; Dhar, Abhishek; Kulkarni, Manas

2017-11-01

We investigate and map out the nonequilibrium phase diagram of a generalization of the well known Aubry-André-Harper (AAH) model. This generalized AAH (GAAH) model is known to have a single-particle mobility edge which also has an additional self-dual property akin to that of the critical point of the AAH model. By calculating the population imbalance, we get hints of a rich phase diagram. We also find a fascinating connection between single particle wave functions near the mobility edge of the GAAH model and the wave functions of the critical AAH model. By placing this model far from equilibrium with the aid of two baths, we investigate the open system transport via system size scaling of nonequilibrium steady state (NESS) current, calculated by fully exact nonequilibrium Green's function (NEGF) formalism. The critical point of the AAH model now generalizes to a `critical' line separating regions of ballistic and localized transport. Like the critical point of the AAH model, current scales subdiffusively with system size on the `critical' line (I ˜N-2 ±0.1 ). However, remarkably, the scaling exponent on this line is distinctly different from that obtained for the critical AAH model (where I ˜N-1.4 ±0.05 ). All these results can be understood from the above-mentioned connection between states near the mobility edge of the GAAH model and those of the critical AAH model. A very interesting high temperature nonequilibrium phase diagram of the GAAH model emerges from our calculations.

Uniform phases in fluids of hard isosceles triangles: One-component fluid and binary mixtures

NASA Astrophysics Data System (ADS)

Martínez-Ratón, Yuri; Díaz-De Armas, Ariel; Velasco, Enrique

2018-05-01

We formulate the scaled particle theory for a general mixture of hard isosceles triangles and calculate different phase diagrams for the one-component fluid and for certain binary mixtures. The fluid of hard triangles exhibits a complex phase behavior: (i) the presence of a triatic phase with sixfold symmetry, (ii) the isotropic-uniaxial nematic transition is of first order for certain ranges of aspect ratios, and (iii) the one-component system exhibits nematic-nematic transitions ending in critical points. We found the triatic phase to be stable not only for equilateral triangles but also for triangles of similar aspect ratios. We focus the study of binary mixtures on the case of symmetric mixtures: equal particle areas with aspect ratios (κi) symmetric with respect to the equilateral one, κ1κ2=3 . For these mixtures we found, aside from first-order isotropic-nematic and nematic-nematic transitions (the latter ending in a critical point): (i) a region of triatic phase stability even for mixtures made of particles that do not form this phase at the one-component limit, and (ii) the presence of a Landau point at which two triatic-nematic first-order transitions and a nematic-nematic demixing transition coalesce. This phase behavior is analogous to that of a symmetric three-dimensional mixture of rods and plates.

New insights into atmospherically relevant reaction systems using direct analysis in real-time mass spectrometry (DART-MS)

NASA Astrophysics Data System (ADS)

Zhao, Yue; Fairhurst, Michelle C.; Wingen, Lisa M.; Perraud, Véronique; Ezell, Michael J.; Finlayson-Pitts, Barbara J.

2017-04-01

The application of direct analysis in real-time mass spectrometry (DART-MS), which is finding increasing use in atmospheric chemistry, to two different laboratory model systems for airborne particles is investigated: (1) submicron C3-C7 dicarboxylic acid (diacid) particles reacted with gas-phase trimethylamine (TMA) or butylamine (BA) and (2) secondary organic aerosol (SOA) particles from the ozonolysis of α-cedrene. The diacid particles exhibit a clear odd-even pattern in their chemical reactivity toward TMA and BA, with the odd-carbon diacid particles being substantially more reactive than even ones. The ratio of base to diacid in reacted particles, determined using known diacid-base mixtures, was compared to that measured by high-resolution time-of-flight aerosol mass spectrometry (HR-ToF-AMS), which vaporizes the whole particle. Results show that DART-MS probes ˜ 30 nm of the surface layer, consistent with other studies on different systems. For α-cedrene SOA particles, it is shown that varying the temperature of the particle stream as it enters the DART-MS ionization region can distinguish between specific components with the same molecular mass but different vapor pressures. These results demonstrate the utility of DART-MS for (1) examining reactivity of heterogeneous model systems for atmospheric particles and (2) probing components of SOA particles based on volatility.

Phase transition and flow-rate behavior of merging granular flows.

PubMed

Hu, Mao-Bin; Liu, Qi-Yi; Jiang, Rui; Hou, Meiying; Wu, Qing-Song

2015-02-01

Merging of granular flows is ubiquitous in industrial, mining, and geological processes. However, its behavior remains poorly understood. This paper studies the phase transition and flow-rate behavior of two granular flows merging into one channel. When the main channel is wider than the side channel, the system shows a remarkable two-sudden-drops phenomenon in the outflow rate when gradually increasing the main inflow. When gradually decreasing the main inflow, the system shows obvious hysteresis phenomenon. We study the flow-rate-drop phenomenon by measuring the area fraction and the mean velocity at the merging point. The phase diagram of the system is also presented to understand the occurrence of the phenomenon. We find that the dilute-to-dense transition occurs when the area fraction of particles at the joint point exceeds a critical value ϕ(c)=0.65±0.03.

Thermodynamics and computation during collective motion near criticality

NASA Astrophysics Data System (ADS)

Crosato, Emanuele; Spinney, Richard E.; Nigmatullin, Ramil; Lizier, Joseph T.; Prokopenko, Mikhail

2018-01-01

We study self-organization of collective motion as a thermodynamic phenomenon in the context of the first law of thermodynamics. It is expected that the coherent ordered motion typically self-organises in the presence of changes in the (generalized) internal energy and of (generalized) work done on, or extracted from, the system. We aim to explicitly quantify changes in these two quantities in a system of simulated self-propelled particles and contrast them with changes in the system's configuration entropy. In doing so, we adapt a thermodynamic formulation of the curvatures of the internal energy and the work, with respect to two parameters that control the particles' alignment. This allows us to systematically investigate the behavior of the system by varying the two control parameters to drive the system across a kinetic phase transition. Our results identify critical regimes and show that during the phase transition, where the configuration entropy of the system decreases, the rates of change of the work and of the internal energy also decrease, while their curvatures diverge. Importantly, the reduction of entropy achieved through expenditure of work is shown to peak at criticality. We relate this both to a thermodynamic efficiency and the significance of the increased order with respect to a computational path. Additionally, this study provides an information-geometric interpretation of the curvature of the internal energy as the difference between two curvatures: the curvature of the free entropy, captured by the Fisher information, and the curvature of the configuration entropy.

Titanium carbide and titania phases on Antarctic ice particles of probable extraterrrestrial origin

NASA Technical Reports Server (NTRS)

Zolensky, M. E.; Pun, A.; Thomas, K. L.

1989-01-01

Two unique titania-rich particles, found within ancient Antarctic ice have been discovered and characterized, and are believed to be of extraterrestrial origin. Both particles contain abundant submicron-sized crystals of Magneli phases (Ti(n)O(2n-1). In addition, one particle contains a core of TiC. Whereas the Magneli phases would have been stable in the early solar nebula, and so probably formed there, the TiC is more likely to have condensed in the cool, dusty, carbon-rich outer shell of a red giant star. It is suggested that both particles are interplanetary dust particles whose Magneli phases carry a record of the PO2-T conditions of the early solar nebula. It is further suggested that the TiC grain in particle 705 is remnant interstellar dust.

Practical comparison of 2.7 microm fused-core silica particles and porous sub-2 microm particles for fast separations in pharmaceutical process development.

PubMed

Abrahim, Ahmed; Al-Sayah, Mohammad; Skrdla, Peter; Bereznitski, Yuri; Chen, Yadan; Wu, Naijun

2010-01-05

Fused-core silica stationary phases represent a key technological advancement in the arena of fast HPLC separations. These phases are made by fusing a 0.5 microm porous silica layer onto 1.7 microm nonporous silica cores. The reduced intra-particle flow path of the fused particles provides superior mass transfer kinetics and better performance at high mobile phase velocities, while the fused-core particles provide lower pressure than sub-2 microm particles. In this work, chromatographic performance of the fused-core particles (Ascentis Express) was investigated and compared to that of sub-2 microm porous particles (1.8 microm Zorbax Eclipse Plus C18 and 1.7 microm Acquity BEH C18). Specifically, retention, selectivity, and loading capacity were systematically compared for these two types of columns. Other chromatographic parameters such as efficiency and pressure drop were also studied. Although the fused-core column was found to provide better analyte shape selectivity, both columns had similar hydrophobic, hydrogen bonding, total ion-exchange, and acidic ion-exchange selectivities. As expected, the retention factors and sample loading capacity on the fused-core particle column were slightly lower than those for the sub-2 microm particle column. However, the most dramatic observation was that similar efficiency separations to the sub-2 microm particles could be achieved using the fused-core particles, without the expense of high column back pressure. The low pressure of the fused-core column allows fast separations to be performed routinely on a conventional LC system without significant loss in efficiency or resolution. Applications to the HPLC impurity profiling of drug substance candidates were performed using both types of columns to validate this last point.

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.

Flow behaviour and structure of heterogeneous particles-water mixture in horizontal and inclined pipes

NASA Astrophysics Data System (ADS)

Vlasák, Pavel; Chára, Zdeněk; Konfršt, Jiří

2018-06-01

The effect of slurry velocity and mean concentration of heterogeneous particle-water mixture on flow behaviour and structure in the turbulent regime was studied in horizontal and inclined pipe sections of inner diameter D = 100 mm. The stratified flow pattern of heterogeneous particle-water mixture in the inclined pipe sections was revealed. The particles moved mostly near to the pipe invert. Concentration distribution in ascending and descending vertical pipe sections confirmed the effect of fall velocity on particle-carrier liquid slip velocity and increase of in situ concentration in the ascending pipe section. Slip velocity in two-phase flow, which is defined as the velocity difference between the solid and liquid phase, is one of mechanism of particle movement in two-phase flow. Due to the slip velocity, there is difference between transport and in situ concentrations, and the slip velocity can be determined from comparison of the in situ and transport concentration. For heterogeneous particle-water mixture flow the slip velocity depends on the flow structure.

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

NASA Astrophysics Data System (ADS)

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

2016-12-01

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

Transient Simulation of Accumulating Particle Deposition in Pipe Flow

NASA Astrophysics Data System (ADS)

Hewett, James; Sellier, Mathieu

2015-11-01

Colloidal particles that deposit in pipe systems can lead to fouling which is an expensive problem in both the geothermal and oil & gas industries. We investigate the gradual accumulation of deposited colloids in pipe flow using numerical simulations. An Euler-Lagrangian approach is employed for modelling the fluid and particle phases. Particle transport to the pipe wall is modelled with Brownian motion and turbulent diffusion. A two-way coupling exists between the fouled material and the pipe flow; the local mass flux of depositing particles is affected by the surrounding fluid in the near-wall region. This coupling is modelled by changing the cells from fluid to solid as the deposited particles exceed each local cell volume. A similar method has been used to model fouling in engine exhaust systems (Paz et al., Heat Transfer Eng., 34(8-9):674-682, 2013). We compare our deposition velocities and deposition profiles with an experiment on silica scaling in turbulent pipe flow (Kokhanenko et al., 19th AFMC, 2014).

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface-phase-field-crystal model

PubMed Central

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2013-01-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid. PMID:23214691

Buckling in armored droplets.

PubMed

Sicard, François; Striolo, Alberto

2017-06-29

The buckling mechanism in droplets stabilized by solid particles (armored droplets) is tackled at a mesoscopic level using dissipative particle dynamics simulations. We consider one spherical water droplet in a decane solvent coated with nanoparticle monolayers of two different types: Janus (particles whose surface shows two regions with different wetting properties) and homogeneous. The chosen particles yield comparable initial three-phase contact angles, selected to maximize the adsorption energy at the interface. We study the interplay between the evolution of droplet shape, layering of the particles, and their distribution at the interface when the volume of the droplets is reduced. We show that Janus particles affect strongly the shape of the droplet with the formation of a crater-like depression. This evolution is actively controlled by a close-packed particle monolayer at the curved interface. In contrast, homogeneous particles follow passively the volume reduction of the droplet, whose shape does not deviate too much from spherical, even when a nanoparticle monolayer/bilayer transition is detected at the interface. We discuss how these buckled armored droplets might be of relevance in various applications including potential drug delivery systems and biomimetic design of functional surfaces.

The effect of particle size on the morphology and thermodynamics of diblock copolymer/tethered-particle membranes.

PubMed

Zhang, Bo; Edwards, Brian J

2015-06-07

A combination of self-consistent field theory and density functional theory was used to examine the effect of particle size on the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Particle size was varied between one and four tenths of the radius of gyration of the diblock polymer chain for neutral particles as well as those either favoring or disfavoring segments of the copolymer blocks. Phase diagrams were constructed and analyzed in terms of thermodynamic diagrams to understand the physics associated with the molecular-level self-assembly processes. Typical morphologies were observed, such as lamellar, spheroidal, cylindrical, gyroidal, and perforated lamellar, with the primary concentration region of the tethered particles being influenced heavily by particle size and tethering location, strength of the particle-segment energetic interactions, chain length, and copolymer radius of gyration. The effect of the simulation box size on the observed morphology and system thermodynamics was also investigated, indicating possible effects of confinement upon the system self-assembly processes.

Investigating Aerosol Morphology Using Scattering Phase Functions Measured with a Laser Imaging Nephelometer

NASA Astrophysics Data System (ADS)

Manfred, K.; Adler, G. A.; Erdesz, F.; Franchin, A.; Lamb, K. D.; Schwarz, J. P.; Wagner, N.; Washenfelder, R. A.; Womack, C.; Murphy, D. M.

2017-12-01

Particle morphology has important implications for light scattering and radiative transfer, but can be difficult to measure. Biomass burning and other important aerosol sources can generate a mixture of both spherical and non-spherical particle morphologies, and it is necessary to represent these populations correctly in models. We describe a laser imaging nephelometer that measures the unpolarized scattering phase function of bulk aerosol at 375 and 405 nm using a wide-angle lens and CCD. We deployed this instrument to the Missoula Fire Sciences Laboratory to measure biomass burning aerosol morphology from controlled fires during the recent FIREX intensive laboratory study. Total integrated scattering signal agreed with that determined by a cavity ring-down photoacoustic spectrometer system and a traditional integrating nephelometer within instrument uncertainties. We compared measured scattering phase functions at 405 nm to theoretical models for spherical (Mie) and fractal (Rayleigh-Debye-Gans) particle morphologies based on the size distribution reported by an optical particle counter. We show that particle morphology can vary dramatically for different fuel types, and present results for two representative fires (pine tree vs arid shrub). We find that Mie theory is inadequate to describe the actual behavior of realistic aerosols from biomass burning in some situations. This study demonstrates the capabilities of the laser imaging nephelometer instrument to provide real-time, in situ information about dominant particle morphology that is vital for accurate radiative transfer calculations.

Tuning of electrostatic vs. depletion interaction in deciding the phase behavior of nanoparticle-polymer system

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

Kumar, Sugam, E-mail: sugam@barc.gov.in; Aswal, V. K.; Kohlbrecher, J.

2015-06-24

Nanoparticle-polymer system interestingly show a re-entrant phase behavior where charge stabilized silica nanoparticles (phase I) undergo particle clustering (phase II) and then back to individual particles (phase I) as a function of polymer concentration. Such phase behavior arises as a result of dominance of various interactions (i) nanoparticle-nanoparticle electrostatic repulsion (ii) polymer induced attractive depletion between nanoparticles and (iii) polymer-polymer repulsion, at different concentration regimes. Small-angle neutron scattering (SANS) has been used to study the evolution of interaction during this re-entrant phase behavior of nanoparticles by contrast-marching the polymer. The SANS data have been modeled using a two-Yukawa potential accountingmore » for both attractive and repulsive parts of the interaction between nanoparticles. The degree of both of these parts has been separately tuned by varying the polymer concentration and ionic strength of the solution. Both of these parts are found to have long-range nature. At low polymer concentrations, the electrostatic repulsion dominates over the depletion attraction. The magnitude and the range of the depletion interaction increase with the polymer concentration leading to nanoparticle clustering. At higher polymer concentrations, the increased polymer-polymer repulsion reduces the strength of depletion leading to re-entrant phase behavior. The clusters formed under depletion attraction are found to have surface fractal morphology.« less

In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

DOEpatents

Kim, Choong Paul; Hays, Charles C.; Johnson, William L.

2004-03-23

A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

In-situ ductile metal/bulk metallic glass matrix composites formed by chemical partitioning

DOEpatents

Kim, Choong Paul [Northridge, CA; Hays, Charles C [Pasadena, CA; Johnson, William L [Pasadena, CA

2007-07-17

A composite metal object comprises ductile crystalline metal particles in an amorphous metal matrix. An alloy is heated above its liquidus temperature. Upon cooling from the high temperature melt, the alloy chemically partitions, forming dendrites in the melt. Upon cooling the remaining liquid below the glass transition temperature it freezes to the amorphous state, producing a two-phase microstructure containing crystalline particles in an amorphous metal matrix. The ductile metal particles have a size in the range of from 0.1 to 15 micrometers and spacing in the range of from 0.1 to 20 micrometers. Preferably, the particle size is in the range of from 0.5 to 8 micrometers and spacing is in the range of from 1 to 10 micrometers. The volume proportion of particles is in the range of from 5 to 50% and preferably 15 to 35%. Differential cooling can produce oriented dendrites of ductile metal phase in an amorphous matrix. Examples are given in the Zr--Ti--Cu--Ni--Be alloy bulk glass forming system with added niobium.

Squeezing as a route to photonic analogues of topological superconductors

NASA Astrophysics Data System (ADS)

Houde, Martin; Peano, Vittorio; Brendel, Christian; Marquardt, Florian; Clerk, Aashish

There has been considerable recent interest in studying topological phases of photonic systems. In many cases the resulting system is described by a quadratic particle-conserving Hamiltonian which is directly equivalent to its fermionic counterpart. Here, we consider a class of photonic topological phases where this correspondence fails: photonic systems where particle-number non-conserving terms break time-reversal symmetry. We show that these phases support protected edge modes which facilitate chiral inelastic and elastic transport channels. We also discuss the possibility of quantum amplification using these edge states. Our system could be realized in a variety of systems, including nonlinear photonic crystals, superconducting circuits and optomechanical systems.

Fracture of a Brittle-Particle Ductile Matrix Composite with Applications to a Coating System

NASA Astrophysics Data System (ADS)

Bianculli, Steven J.

In material systems consisting of hard second phase particles in a ductile matrix, failure initiating from cracking of the second phase particles is an important failure mechanism. This dissertation applies the principles of fracture mechanics to consider this problem, first from the standpoint of fracture of the particles, and then the onset of crack propagation from fractured particles. This research was inspired by the observation of the failure mechanism of a commercial zinc-based anti-corrosion coating and the analysis was initially approached as coatings problem. As the work progressed it became evident that failure mechanism was relevant to a broad range of composite material systems and research approach was generalized to consider failure of a system consisting of ellipsoidal second phase particles in a ductile matrix. The starting point for the analysis is the classical Eshelby Problem, which considered stress transfer from the matrix to an ellipsoidal inclusion. The particle fracture problem is approached by considering cracks within particles and how they are affected by the particle/matrix interface, the difference in properties between the particle and matrix, and by particle shape. These effects are mapped out for a wide range of material combinations. The trends developed show that, although the particle fracture problem is very complex, the potential for fracture among a range of particle shapes can, for certain ranges in particle shape, be considered easily on the basis of the Eshelby Stress alone. Additionally, the evaluation of cracks near the curved particle/matrix interface adds to the existing body of work of cracks approaching bi-material interfaces in layered material systems. The onset of crack propagation from fractured particles is then considered as a function of particle shape and mismatch in material properties between the particle and matrix. This behavior is mapped out for a wide range of material combinations. The final section of this dissertation qualitatively considers an approach to determine critical particle sizes, below which crack propagation will not occur for a coating system that exhibited stable cracks in an interfacial layer between the coating and substrate.

A ferrofluid-based neural network: design of an analogue associative memory

NASA Astrophysics Data System (ADS)

Palm, R.; Korenivski, V.

2009-02-01

We analyse an associative memory based on a ferrofluid, consisting of a system of magnetic nano-particles suspended in a carrier fluid of variable viscosity subject to patterns of magnetic fields from an array of input and output magnetic pads. The association relies on forming patterns in the ferrofluid during a training phase, in which the magnetic dipoles are free to move and rotate to minimize the total energy of the system. Once equilibrated in energy for a given input-output magnetic field pattern pair, the particles are fully or partially immobilized by cooling the carrier liquid. Thus produced particle distributions control the memory states, which are read out magnetically using spin-valve sensors incorporated into the output pads. The actual memory consists of spin distributions that are dynamic in nature, realized only in response to the input patterns that the system has been trained for. Two training algorithms for storing multiple patterns are investigated. Using Monte Carlo simulations of the physical system, we demonstrate that the device is capable of storing and recalling two sets of images, each with an accuracy approaching 100%.

Gas-particle partitioning of atmospheric aerosols: interplay of physical state, non-ideal mixing and morphology.

PubMed

Shiraiwa, Manabu; Zuend, Andreas; Bertram, Allan K; Seinfeld, John H

2013-07-21

Atmospheric aerosols, comprising organic compounds and inorganic salts, play a key role in air quality and climate. Mounting evidence exists that these particles frequently exhibit phase separation into predominantly organic and aqueous electrolyte-rich phases. As well, the presence of amorphous semi-solid or glassy particle phases has been established. Using the canonical system of ammonium sulfate mixed with organics from the ozone oxidation of α-pinene, we illustrate theoretically the interplay of physical state, non-ideality, and particle morphology affecting aerosol mass concentration and the characteristic timescale of gas-particle mass transfer. Phase separation can significantly affect overall particle mass and chemical composition. Semi-solid or glassy phases can kinetically inhibit the partitioning of semivolatile components and hygroscopic growth, in contrast to the traditional assumption that organic compounds exist in quasi-instantaneous gas-particle equilibrium. These effects have significant implications for the interpretation of laboratory data and the development of improved atmospheric air quality and climate models.

The application of single particle hydrodynamics in continuum models of multiphase flow

NASA Technical Reports Server (NTRS)

Decker, Rand

1988-01-01

A review of the application of single particle hydrodynamics in models for the exchange of interphase momentum in continuum models of multiphase flow is presented. Considered are the equations of motion for a laminar, mechanical two phase flow. Inherent to this theory is a model for the interphase exchange of momentum due to drag between the dispersed particulate and continuous fluid phases. In addition, applications of two phase flow theory to de-mixing flows require the modeling of interphase momentum exchange due to lift forces. The applications of single particle analysis in deriving models for drag and lift are examined.

Melting of anisotropic colloidal crystals in two dimensions

NASA Astrophysics Data System (ADS)

Eisenmann, C.; Keim, P.; Gasser, U.; Maret, G.

2004-09-01

The crystal structure and melting transition of two-dimensional colloids interacting via an anisotropic magnetic dipole-dipole potential are studied. Anisotropy is achieved by tilting the external magnetic field inducing the dipole moments of the colloidal particles away from the direction perpendicular to the particle plane. We find a centred rectangular lattice and a two-step melting similar to the phase transitions of the corresponding isotropic crystals via a quasi-hexatic phase. The latter is broadened compared to the hexatic phase for isotropic interaction potential due to strengthening of orientational order.

Universal phase diagrams with superconducting domes for electronic flat bands

NASA Astrophysics Data System (ADS)

Löthman, Tomas; Black-Schaffer, Annica M.

2017-08-01

Condensed matter systems with flat bands close to the Fermi level generally exhibit, due to their very large density of states, extraordinarily high critical ordering temperatures of symmetry-breaking orders, such as superconductivity and magnetism. Here we show that the critical temperatures follow one of two universal curves with doping away from a flat band depending on the ordering channel, which completely dictates both the general order competition and the phase diagram. Notably, we find that orders in the particle-particle channel (superconducting orders) survive decisively farther than orders in the particle-hole channel (magnetic or charge orders) because the channels have fundamentally different polarizabilities. Thus, even if a magnetic or charge order initially dominates, superconducting domes are still likely to exist on the flanks of flat bands. We apply these general results to both the topological surface flat bands of rhombohedral ABC-stacked graphite and to the Van Hove singularity of graphene.

Solid Hydrogen Experiments for Atomic Propellants: Particle Formation Energy and Imaging Analyses

NASA Technical Reports Server (NTRS)

Palaszewski, Bryan

2002-01-01

This paper presents particle formation energy balances and detailed analyses of the images from experiments that were conducted on the formation of solid hydrogen particles in liquid helium during the Phase II testing in 2001. Solid particles of hydrogen were frozen in liquid helium and observed with a video camera. The solid hydrogen particle sizes and the total mass of hydrogen particles were estimated. The particle formation efficiency is also estimated. Particle sizes from the Phase I testing in 1999 and the Phase II testing in 2001 were similar. Though the 2001 testing created similar particles sizes, many new particle formation phenomena were observed. These experiment image analyses are one of the first steps toward visually characterizing these particles and it allows designers to understand what issues must be addressed in atomic propellant feed system designs for future aerospace vehicles.

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

NASA Astrophysics Data System (ADS)

Pianegonda, Salete; Fiore, Carlos E.

2014-05-01

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

Modelling compressible dense and dilute two-phase flows

NASA Astrophysics Data System (ADS)

Saurel, Richard; Chinnayya, Ashwin; Carmouze, Quentin

2017-06-01

Many two-phase flow situations, from engineering science to astrophysics, deal with transition from dense (high concentration of the condensed phase) to dilute concentration (low concentration of the same phase), covering the entire range of volume fractions. Some models are now well accepted at the two limits, but none are able to cover accurately the entire range, in particular regarding waves propagation. In the present work, an alternative to the Baer and Nunziato (BN) model [Baer, M. R. and Nunziato, J. W., "A two-phase mixture theory for the deflagration-to-detonation transition (DDT) in reactive granular materials," Int. J. Multiphase Flow 12(6), 861 (1986)], initially designed for dense flows, is built. The corresponding model is hyperbolic and thermodynamically consistent. Contrarily to the BN model that involves 6 wave speeds, the new formulation involves 4 waves only, in agreement with the Marble model [Marble, F. E., "Dynamics of a gas containing small solid particles," Combustion and Propulsion (5th AGARD Colloquium) (Pergamon Press, 1963), Vol. 175] based on pressureless Euler equations for the dispersed phase, a well-accepted model for low particle volume concentrations. In the new model, the presence of pressure in the momentum equation of the particles and consideration of volume fractions in the two phases render the model valid for large particle concentrations. A symmetric version of the new model is derived as well for liquids containing gas bubbles. This model version involves 4 characteristic wave speeds as well, but with different velocities. Last, the two sub-models with 4 waves are combined in a unique formulation, valid for the full range of volume fractions. It involves the same 6 wave speeds as the BN model, but at a given point of space, 4 waves only emerge, depending on the local volume fractions. The non-linear pressure waves propagate only in the phase with dominant volume fraction. The new model is tested numerically on various test problems ranging from separated phases in a shock tube to shock-particle cloud interaction. Its predictions are compared to BN and Marble models as well as against experimental data showing clear improvements.

Limitations of the ideal phase-Doppler system: Extension to spatially and temporally inhomogeneous particle flows with an application to diesel sprays

NASA Astrophysics Data System (ADS)

Marx, K. D.; Edwards, C. F.

1992-12-01

The effect of the single-particle constraint on the response of phase-Doppler instruments is determined for particle flows which are spatially nonuniform and time-dependent. Poisson statistics are applied to particle positions and arrival times within the phase-Doppler probe volume to determine the probability that a particle is measured successfully. It is shown that the single-particle constraint can be viewed as applying spatial and temporal filters to the particle flow. These filters have the same meaning as those that were defined previously for uniform, steady-state sprays, but in space- and time-dependent form. Criteria are developed for determining when a fully inhomogeneous analysis of a flow is required and when a quasi-steady analysis will suffice. A new bias due to particle arrival time displacement is identified and the conditions under which it must be considered are established. The present work provides the means to rigorously investigate the response of phase-Doppler measurement systems to transient sprays such as those which occur in diesel engines. To this end, the results are applied to a numerical simulation of a diesel spray. The calculated hypothetical response of the ideal instrument provides a quantitative demonstration of the regimes within which measurements can accurately be made in such sprays.

Preparation of Janus Particles and Alternating Current Electrokinetic Measurements with a Rapidly Fabricated Indium Tin Oxide Electrode Array.

PubMed

Chen, Yu-Liang; Jiang, Hong-Ren

2017-06-23

This article provides a simple method to prepare partially or fully coated metallic particles and to perform the rapid fabrication of electrode arrays, which can facilitate electrical experiments in microfluidic devices. Janus particles are asymmetric particles that contain two different surface properties on their two sides. To prepare Janus particles, a monolayer of silica particles is prepared by a drying process. Gold (Au) is deposited on one side of each particle using a sputtering device. The fully coated metallic particles are completed after the second coating process. To analyze the electrical surface properties of Janus particles, alternating current (AC) electrokinetic measurements, such as dielectrophoresis (DEP) and electrorotation (EROT)- which require specifically designed electrode arrays in the experimental device- are performed. However, traditional methods to fabricate electrode arrays, such as the photolithographic technique, require a series of complicated procedures. Here, we introduce a flexible method to fabricate a designed electrode array. An indium tin oxide (ITO) glass is patterned by a fiber laser marking machine (1,064 nm, 20 W, 90 to 120 ns pulse-width, and 20 to 80 kHz pulse repetition frequency) to create a four-phase electrode array. To generate the four-phase electric field, the electrodes are connected to a 2-channel function generator and to two invertors. The phase shift between the adjacent electrodes is set at either 90° (for EROT) or 180° (for DEP). Representative results of AC electrokinetic measurements with a four-phase ITO electrode array are presented.

Phase Transitions in Geomorphology

NASA Astrophysics Data System (ADS)

Ortiz, C. P.; Jerolmack, D. J.

2015-12-01

Landscapes are patterns in a dynamic steady-state, due to competing processes that smooth or sharpen features over large distances and times. Geomorphic transport laws have been developed to model the mass-flux due to different processes, but are unreasonably effective at recovering the scaling relations of landscape features. Using a continuum approximation to compare experimental landscapes and the observed landscapes of the earth, one finds they share similar morphodynamics despite a breakdown of classical dynamical similarity between the two. We propose the origin of this effectiveness is a different kind of dynamic similarity in the statistics of initiation and cessation of motion of groups of grains, which is common to disordered systems of grains under external driving. We will show how the existing data of sediment transport points to common signatures with dynamical phase transitions between "mobile" and "immobile" phases in other disordered systems, particularly granular materials, colloids, and foams. Viewing landscape evolution from the lens of non-equilibrium statistical physics of disordered systems leads to predictions that the transition of bulk measurements such as particle flux is continuous from one phase to another, that the collective nature of the particle dynamics leads to very slow aging of bulk properties, and that the dynamics are history-dependent. Recent results from sediment transport experiments support these predictions, suggesting that existing geomorphic transport laws may need to be replaced by a new generation of stochastic models with ingredients based on the physics of disordered phase transitions. We discuss possible strategies for extracting the necessary information to develop these models from measurements of geomorphic transport noise by connecting particle-scale collective dynamics and space-time fluctuations over landscape features.

Combined discrete particle and continuum model predicting solid-state fermentation in a drum fermentor.

PubMed

Schutyser, M A I; Briels, W J; Boom, R M; Rinzema, A

2004-05-20

The development of mathematical models facilitates industrial (large-scale) application of solid-state fermentation (SSF). In this study, a two-phase model of a drum fermentor is developed that consists of a discrete particle model (solid phase) and a continuum model (gas phase). The continuum model describes the distribution of air in the bed injected via an aeration pipe. The discrete particle model describes the solid phase. In previous work, mixing during SSF was predicted with the discrete particle model, although mixing simulations were not carried out in the current work. Heat and mass transfer between the two phases and biomass growth were implemented in the two-phase model. Validation experiments were conducted in a 28-dm3 drum fermentor. In this fermentor, sufficient aeration was provided to control the temperatures near the optimum value for growth during the first 45-50 hours. Several simulations were also conducted for different fermentor scales. Forced aeration via a single pipe in the drum fermentors did not provide homogeneous cooling in the substrate bed. Due to large temperature gradients, biomass yield decreased severely with increasing size of the fermentor. Improvement of air distribution would be required to avoid the need for frequent mixing events, during which growth is hampered. From these results, it was concluded that the two-phase model developed is a powerful tool to investigate design and scale-up of aerated (mixed) SSF fermentors. Copyright 2004 Wiley Periodicals, Inc.

Generalized Stoner criterion and versatile spin ordering in two-dimensional spin-orbit coupled electron systems

NASA Astrophysics Data System (ADS)

Liu, Weizhe Edward; Chesi, Stefano; Webb, David; Zülicke, U.; Winkler, R.; Joynt, Robert; Culcer, Dimitrie

2017-12-01

Spin-orbit coupling is a single-particle phenomenon known to generate topological order, and electron-electron interactions cause ordered many-body phases to exist. The rich interplay of these two mechanisms is present in a broad range of materials and has been the subject of considerable ongoing research and controversy. Here we demonstrate that interacting two-dimensional electron systems with strong spin-orbit coupling exhibit a variety of time reversal symmetry breaking phases with unconventional spin alignment. We first prove that a Stoner-type criterion can be formulated for the spin polarization response to an electric field, which predicts that the spin polarization susceptibility diverges at a certain value of the electron-electron interaction strength. The divergence indicates the possibility of unconventional ferromagnetic phases even in the absence of any applied electric or magnetic field. This leads us, in the second part of this work, to study interacting Rashba spin-orbit coupled semiconductors in equilibrium in the Hartree-Fock approximation as a generic minimal model. Using classical Monte Carlo simulations, we construct the complete phase diagram of the system as a function of density and spin-orbit coupling strength. It includes both an out-of-plane spin-polarized phase and in-plane spin-polarized phases with shifted Fermi surfaces and rich spin textures, reminiscent of the Pomeranchuk instability, as well as two different Fermi-liquid phases having one and two Fermi surfaces, respectively, which are separated by a Lifshitz transition. We discuss possibilities for experimental observation and useful application of these novel phases, especially in the context of electric-field-controlled macroscopic spin polarizations.

Electrical impedance tomography spectroscopy method for characterising particles in solid-liquid phase

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

Zhao, Yanlin; Wang, Mi; Yao, Jun

2014-04-11

Electrical impedance tomography (EIT) is one of the process tomography techniques to provide an on-line non-invasive imaging for multiphase flow measurement. With EIT measurements, the images of impedance real part, impedance imaginary part, phase angle, and magnitude can be obtained. However, most of the applications of EIT in the process industries rely on the conductivity difference between two phases in fluids to obtain the concentration profiles. It is not common to use the imaginary part or phase angle due to the dominant change in conductivity or complication in the use of other impedance information. In a solid-liquid two phases systemmore » involving nano- or submicro-particles, characterisation of particles (e.g. particle size and concentration) have to rely on the measurement of impedance phase angle or imaginary part. Particles in a solution usually have an electrical double layer associated with their surfaces and can form an induced electrical dipole moment due to the polarization of the electrical double layer under the influence of an alternating electric field. Similar to EIT, electrical impedance spectroscopy (EIS) measurement can record the electrical impedance data, including impedance real part, imaginary part and phase angle (θ), which are caused by the polarization of the electrical double layer. These impedance data are related to the particle characteristics e.g. particle size, particle and ionic concentrations in the aqueous medium, therefore EIS method provides a capability for characterising the particles in suspensions. Electrical impedance tomography based on EIS measurement or namely, electrical impedance tomography spectroscopy (EITS) could image the spatial distribution of particle characteristics. In this paper, a new method, including test set-up and data analysis, for characterisation of particles in suspensions are developed through the experimental approach. The experimental results on tomographic imaging of colloidal particles based on EIS measurement using a sensor of 8 electrodes are reported. Results have demonstrated the potential as well as revealed the challenge in the use of EIS and EITS for characterisation of particle in suspension.« less

FACTORS IN GEOTROPOSPHERIC PARTICLE-GAS TRANSPORT OF SEMIVOLATILE ORGANIC COMPOUNDS

EPA Science Inventory

Semivolatile organic compounds (SVOCs) can exist in solid, liquid, or gas phases under ambient environmental conditions. The geotropospheric transport of SVOCs varies according to the particle type. Two classes of SVOCs and two types of particles were analyzed to determine possib...

The rheology of three-phase suspensions at low bubble capillary number

PubMed Central

Truby, J. M.; Mueller, S. P.; Llewellin, E. W.; Mader, H. M.

2015-01-01

We develop a model for the rheology of a three-phase suspension of bubbles and particles in a Newtonian liquid undergoing steady flow. We adopt an ‘effective-medium’ approach in which the bubbly liquid is treated as a continuous medium which suspends the particles. The resulting three-phase model combines separate two-phase models for bubble suspension rheology and particle suspension rheology, which are taken from the literature. The model is validated against new experimental data for three-phase suspensions of bubbles and spherical particles, collected in the low bubble capillary number regime. Good agreement is found across the experimental range of particle volume fraction (0≤ϕp≲0.5) and bubble volume fraction (0≤ϕb≲0.3). Consistent with model predictions, experimental results demonstrate that adding bubbles to a dilute particle suspension at low capillarity increases its viscosity, while adding bubbles to a concentrated particle suspension decreases its viscosity. The model accounts for particle anisometry and is easily extended to account for variable capillarity, but has not been experimentally validated for these cases. PMID:25568617

Countercurrent distribution of biological cells

NASA Technical Reports Server (NTRS)

1982-01-01

It is known that the addition of phosphate buffer to two polymer aqueous phase systems has a strong effect on the partition behavior of cells and other particles in such mixtures. The addition of sodium phosphate to aqueous poly(ethylene glycol) dextran phase systems causes a concentration-dependent shift in binodial on the phase diagram, progressively lowering the critical conditions for phase separation as the phosphate concentration is increased. Sodium chloride produces no significant shift in the critical point relative to the salt-free case. Accurate determinations of the phase diagram require measurements of the density of the phases; data is presented which allows this parameter to be calculated from polarimetric measurements of the dextran concentrations of both phases. Increasing polymer concentrations in the phase systems produce increasing preference of the phosphate for the dextran-rich bottom phase. Equilibrium dialysis experiments showed that poly(ethylene glycol) effectively rejected phosphate, and to a lesser extent chloride, but that dextran had little effect on the distribution of either salt. Increasing ionic strength via addition of 0.15 M NaCl to phase systems containing 0.01 M phosphate produces an increased concentration of phosphate ions in the bottom dextran-rich phase, the expected effect in this type of Donnan distribution.

Ice phase in altocumulus clouds over Leipzig: remote sensing observations and detailed modeling

NASA Astrophysics Data System (ADS)

Simmel, M.; Bühl, J.; Ansmann, A.; Tegen, I.

2015-09-01

The present work combines remote sensing observations and detailed cloud modeling to investigate two altocumulus cloud cases observed over Leipzig, Germany. A suite of remote sensing instruments was able to detect primary ice at rather high temperatures of -6 °C. For comparison, a second mixed phase case at about -25 °C is introduced. To further look into the details of cloud microphysical processes, a simple dynamics model of the Asai-Kasahara (AK) type is combined with detailed spectral microphysics (SPECS) forming the model system AK-SPECS. Vertical velocities are prescribed to force the dynamics, as well as main cloud features, to be close to the observations. Subsequently, sensitivity studies with respect to ice microphysical parameters are carried out with the aim to quantify the most important sensitivities for the cases investigated. For the cases selected, the liquid phase is mainly determined by the model dynamics (location and strength of vertical velocity), whereas the ice phase is much more sensitive to the microphysical parameters (ice nucleating particle (INP) number, ice particle shape). The choice of ice particle shape may induce large uncertainties that are on the same order as those for the temperature-dependent INP number distribution.

Pion-decay radiation and two-phase acceleration in the June 3, 1982 solar flare

NASA Technical Reports Server (NTRS)

Ramaty, R.; Dermer, C. D.; Murphy, R. J.

1986-01-01

The June 3, 1982 flare is unique in the wealth of observed neutron, gamma-ray and energetic-particle emission that it produced. Using calculations of high-energy emissions to fit the various time-dependent gamma-ray fluxes, a self-consistent interaction model for the June 3 flare is constructed in which the observed fluxes are produced by two distinct particle populations with different acceleration and interaction time histories as well as different but time-independent energy spectra. The two populations are associated with first- and second-phase particle acceleration, respectively.

Communication: phase transitions, criticality, and three-phase coexistence in constrained cell models.

PubMed

Nayhouse, Michael; Kwon, Joseph Sang-Il; Orkoulas, G

2012-05-28

In simulation studies of fluid-solid transitions, the solid phase is usually modeled as a constrained system in which each particle is confined to move in a single Wigner-Seitz cell. The constrained cell model has been used in the determination of fluid-solid coexistence via thermodynamic integration and other techniques. In the present work, the phase diagram of such a constrained system of Lennard-Jones particles is determined from constant-pressure simulations. The pressure-density isotherms exhibit inflection points which are interpreted as the mechanical stability limit of the solid phase. The phase diagram of the constrained system contains a critical and a triple point. The temperature and pressure at the critical and the triple point are both higher than those of the unconstrained system due to the reduction in the entropy caused by the single occupancy constraint.

Lattice QCD Thermodynamics and RHIC-BES Particle Production within Generic Nonextensive Statistics

NASA Astrophysics Data System (ADS)

Tawfik, Abdel Nasser

2018-05-01

The current status of implementing Tsallis (nonextensive) statistics on high-energy physics is briefly reviewed. The remarkably low freezeout-temperature, which apparently fails to reproduce the firstprinciple lattice QCD thermodynamics and the measured particle ratios, etc. is discussed. The present work suggests a novel interpretation for the so-called " Tsallis-temperature". It is proposed that the low Tsallis-temperature is due to incomplete implementation of Tsallis algebra though exponential and logarithmic functions to the high-energy particle-production. Substituting Tsallis algebra into grand-canonical partition-function of the hadron resonance gas model seems not assuring full incorporation of nonextensivity or correlations in that model. The statistics describing the phase-space volume, the number of states and the possible changes in the elementary cells should be rather modified due to interacting correlated subsystems, of which the phase-space is consisting. Alternatively, two asymptotic properties, each is associated with a scaling function, are utilized to classify a generalized entropy for such a system with large ensemble (produced particles) and strong correlations. Both scaling exponents define equivalence classes for all interacting and noninteracting systems and unambiguously characterize any statistical system in its thermodynamic limit. We conclude that the nature of lattice QCD simulations is apparently extensive and accordingly the Boltzmann-Gibbs statistics is fully fulfilled. Furthermore, we found that the ratios of various particle yields at extreme high and extreme low energies of RHIC-BES is likely nonextensive but not necessarily of Tsallis type.

A study of MRI gradient echo signals from discrete magnetic particles with considerations of several parameters in simulations.

PubMed

Kokeny, Paul; Cheng, Yu-Chung N; Xie, He

2018-05-01

Modeling MRI signal behaviors in the presence of discrete magnetic particles is important, as magnetic particles appear in nanoparticle labeled cells, contrast agents, and other biological forms of iron. Currently, many models that take into account the discrete particle nature in a system have been used to predict magnitude signal decays in the form of R2* or R2' from one single voxel. Little work has been done for predicting phase signals. In addition, most calculations of phase signals rely on the assumption that a system containing discrete particles behaves as a continuous medium. In this work, numerical simulations are used to investigate MRI magnitude and phase signals from discrete particles, without diffusion effects. Factors such as particle size, number density, susceptibility, volume fraction, particle arrangements for their randomness, and field of view have been considered in simulations. The results are compared to either a ground truth model, theoretical work based on continuous mediums, or previous literature. Suitable parameters used to model particles in several voxels that lead to acceptable magnetic field distributions around particle surfaces and accurate MR signals are identified. The phase values as a function of echo time from a central voxel filled by particles can be significantly different from those of a continuous cubic medium. However, a completely random distribution of particles can lead to an R2' value which agrees with the prediction from the static dephasing theory. A sphere with a radius of at least 4 grid points used in simulations is found to be acceptable to generate MR signals equivalent from a larger sphere. Increasing number of particles with a fixed volume fraction in simulations reduces the resulting variance in the phase behavior, and converges to almost the same phase value for different particle numbers at each echo time. The variance of phase values is also reduced when increasing the number of particles in a fixed voxel. These results indicate that MRI signals from voxels containing discrete particles, even with a sufficient number of particles per voxel, cannot be properly modeled by a continuous medium with an equivalent susceptibility value in the voxel. Copyright © 2017 Elsevier Inc. All rights reserved.

Nonlinear evolution of energetic-particles-driven waves in collisionless plasmas

NASA Astrophysics Data System (ADS)

Li, Shuhan; Liu, Jinyuan; Wang, Feng; Shen, Wei; Li, Dong

2018-06-01

A one-dimensional electrostatic collisionless particle-in-cell code has been developed to study the nonlinear interaction between electrostatic waves and energetic particles (EPs). For a single wave, the results are clear and agree well with the existing theories. For coexisting two waves, although the mode nonlinear coupling between two wave fields is ignored, the second-order phase space islands can still exist between first-order islands generated by the two waves. However, the second-order phase islands are not formed by the superposed wave fields and the perturbed motions of EPs induced by the combined effect of two main resonances make these structures in phase space. Owing to these second-order islands, energy can be transferred between waves, even if the overlap of two main resonances never occurs. Depending on the distance between the main resonance islands in velocity space, the second-order island can affect the nonlinear dynamics and saturations of waves.

Amine-Amine Exchange in Aminium-Methanesulfonate Aerosols

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

Dawson, Matthew L.; Varner, Mychel E.; Perraud, Veronique M.

2014-12-18

Aerosol particles are ubiquitous in the atmosphere and have been shown to impact the Earth’s climate, reduce visibility, and adversely affect human health. Modeling the evolution of aerosol systems requires an understanding of the species and mechanisms involved in particle growth, including the complex interactions between particle- and gas-phase species. Here we report studies of displacement of amines (methylamine, dimethylamine or trimethylamine) in methanesulfonate salt particles by exposure to a different gas-phase amine, using a single particle mass spectrometer, SPLAT II. The variation of the displacement with the nature of the amine suggests that behavior is dependent on water inmore » or on the particles. Small clusters of methanesulfonic acid with amines are used as a model in quantum chemical calculations to identify key structural elements that are expected to influence water uptake, and hence the efficiency of displacement by gas-phase molecules in the aminium salts. Such molecular-level understanding of the processes affecting the ability of gas-phase amines to displace particle-phase aminium species is important for modeling the growth of particles and their impacts in the atmosphere.« less

Particle momentum effects from the detonation of heterogeneous explosives

NASA Astrophysics Data System (ADS)

Frost, D. L.; Ornthanalai, C.; Zarei, Z.; Tanguay, V.; Zhang, F.

2007-06-01

Detonation of a spherical high explosive charge containing solid particles generates a high-speed two-phase flow comprised of a decaying spherical air blast wave together with a rapidly expanding cloud of particles. The particle momentum effects associated with this two-phase flow have been investigated experimentally and numerically for a heterogeneous explosive consisting of a packed bed of inert particles saturated with a liquid explosive. Experimentally, the dispersion of the particles was tracked using flash radiography and high-speed photography. A particle streak gauge was developed to measure the rate of arrival of the particles at various locations. Using a cantilever gauge and a free-piston impulse gauge, it was found that the particle momentum flux provided the primary contribution of the multiphase flow to the near-field impulse applied to a nearby small structure. The qualitative features of the interaction between a particle and the flow field are illustrated using simple models for the particle motion and blast wave dynamics. A more realistic Eulerian two-fluid model for the gas-particle flow and a finite-element model for the structural response of the cantilever gauge are then used to determine the relative contributions of the gas and particles to the loading.

Development of tropine-salt aqueous two-phase systems and removal of hydrophilic ionic liquids from aqueous solution.

PubMed

Wu, Haoran; Yao, Shun; Qian, Guofei; Song, Hang

2016-08-26

A novel aqueous two-phase systems (ATPS) composed of a small molecule organic compound tropine and an organic or inorganic salt aqueous solution has been developed for the first time. The phase behavior of tropine-salt ATPS was systemically investigated and the phase equilibrium data were measured in different temperatures and concentrations and correlated by the Merchuk equation with satisfactory results. The detection of the conductivity and particle size proved the formation of micelle in the process of forming tropine-salt ATPS. The separation application of the ATPS was assessed with the removal of hydrophilic benzothiazolium-based ionic liquids (ILs) from aqueous solution. The result showed that ILs were effectively extracted into the top tropine-rich phase. Finally, ILs in the top tropine-rich phase were further separated by the means of adsorption-desorption with DM301 macroporous resin and ethanol. The method of novel tropine-salt ATPS combined with adsorption-desorption is demonstrated a promising alternative thought and approach for the removal or recovery of hydrophilic compounds from aqueous media and also could provide a potential application for bio-separation. Copyright © 2016. Published by Elsevier B.V.

Immunoassay of paralytic shellfish toxins by moving magnetic particles in a stationary liquid-phase lab-on-a-chip.

PubMed

Kim, Myoung-Ho; Choi, Suk-Jung

2015-04-15

In this study, we devised a stationary liquid-phase lab-on-a-chip (SLP LOC), which was operated by moving solid-phase magnetic particles in the stationary liquid phase. The SLP LOC consisted of a sample chamber to which a sample and reactants were added, a detection chamber containing enzyme substrate solution, and a narrow channel connecting the two chambers and filled with buffer. As a model system, competitive immunoassays of saxitoxin (STX), a paralytic shellfish toxin, were conducted in the SLP LOC using protein G-coupled magnetic particles (G-MPs) as the solid phase. Anti-STX antibodies, STX-horseradish peroxidase conjugate, G-MPs, and a STX sample were added to the sample chamber and reacted by shaking. While liquids were in the stationary state, G-MPs were transported from the sample chamber to the detection chamber by moving a magnet below the LOC. After incubation to allow the enzymatic reaction to occur, the absorbance of the detection chamber solution was found to be reciprocally related to the STX concentration of the sample. Thus, the SLP LOC may represent a novel, simple format for point-of-care testing applications of enzyme-linked immunosorbent assays by eliminating complicated liquid handling steps. Copyright © 2014 Elsevier B.V. All rights reserved.

Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model.

PubMed

Butlitsky, M A; Zelener, B B; Zelener, B V

2014-07-14

A two-component plasma model, which we called a "shelf Coulomb" model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The "shelf Coulomb" model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for large distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ɛ parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ɛ and γ = βe(2)n(1/3) (where β = 1/kBT, n is the particle's density, kB is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ɛ and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ɛ(crit) ≈ 13(T(*)(crit) ≈ 0.076), γ(crit) ≈ 1.8(v(*)(crit) ≈ 0.17), P(*)(crit) ≈ 0.39, where specific volume v* = 1/γ(3) and reduced temperature T(*) = ɛ(-1).

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.

Micromechanics and effective elastoplastic behavior of two-phase metal matrix composites

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

Ju, J.W.; Chen, T.M.

A micromechanical framework is presented to predict effective (overall) elasto-(visco-)plastic behavior of two-phase particle-reinforced metal matrix composites (PRMMC). In particular, the inclusion phase (particle) is assumed to be elastic and the matrix material is elasto-(visco-)plastic. Emanating from Ju and Chen's (1994a,b) work on effective elastic properties of composites containing many randomly dispersed inhomogeneities, effective elastoplastic deformations and responses of PRMMC are estimated by means of the effective yield criterion'' derived micromechanically by considering effects due to elastic particles embedded in the elastoplastic matrix. The matrix material is elastic or plastic, depending on local stress and deformation, and obeys general plasticmore » flow rule and hardening law. Arbitrary (general) loadings and unloadings are permitted in the framework through the elastic predictor-plastic corrector two-step operator splitting methodology. The proposed combined micromechanical and computational approach allows one to estimate overall elastoplastic responses of PRMMCs by accounting for the microstructural information (such as the spatial distribution and micro-geometry of particles), elastic properties of constituent phases, and the plastic behavior of the matrix-only materials.« less

Composite particle theory of three-dimensional gapped fermionic phases: Fractional topological insulators and charge-loop excitation symmetry

NASA Astrophysics Data System (ADS)

Ye, Peng; Hughes, Taylor L.; Maciejko, Joseph; Fradkin, Eduardo

2016-09-01

Topological phases of matter are usually realized in deconfined phases of gauge theories. In this context, confined phases with strongly fluctuating gauge fields seem to be irrelevant to the physics of topological phases. For example, the low-energy theory of the two-dimensional (2D) toric code model (i.e., the deconfined phase of Z2 gauge theory) is a U(1 )×U(1 ) Chern-Simons theory in which gauge charges (i.e., e and m particles) are deconfined and the gauge fields are gapped, while the confined phase is topologically trivial. In this paper, we point out a route to constructing exotic three-dimensional (3D) gapped fermionic phases in a confining phase of a gauge theory. Starting from a parton construction with strongly fluctuating compact U(1 )×U(1 ) gauge fields, we construct gapped phases of interacting fermions by condensing two linearly independent bosonic composite particles consisting of partons and U(1 )×U(1 ) magnetic monopoles. This can be regarded as a 3D generalization of the 2D Bais-Slingerland condensation mechanism. Charge fractionalization results from a Debye-Hückel-type screening cloud formed by the condensed composite particles. Within our general framework, we explore two aspects of symmetry-enriched 3D Abelian topological phases. First, we construct a new fermionic state of matter with time-reversal symmetry and Θ ≠π , the fractional topological insulator. Second, we generalize the notion of anyonic symmetry of 2D Abelian topological phases to the charge-loop excitation symmetry (Charles ) of 3D Abelian topological phases. We show that line twist defects, which realize Charles transformations, exhibit non-Abelian fusion properties.

The Correlation Entropy as a Measure of the Complexity of High-Lying Single-Particle Modes

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

Stoyanov, Chavdar; Zelevinsky, Vladimir; Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824-1321

Highly-excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phonon-like modes of the core. In the framework of the quasiparticle-phonon model we consider the structure of resulting complex configurations using the 1k17/2 orbital in 209Pb as an example. The eigenstates of the model carry significant degree of complexity that can be quantified with the aid of correlational invariant entropy. With artificially enhanced particle-core coupling, the system undergoes the doubling phase transition with the quasiparticle strength concentrated in two repelling peaks.

Measurement and modeling of advanced coal conversion processes, Volume II

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

Solomon, P.R.; Serio, M.A.; Hamblen, D.G.

1993-06-01

A two dimensional, steady-state model for describing a variety of reactive and nonreactive flows, including pulverized coal combustion and gasification, is presented. The model, referred to as 93-PCGC-2 is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added.

One-dimensional wave propagation in particulate suspensions

NASA Technical Reports Server (NTRS)

Rochelle, S. G.; Peddieson, J., Jr.

1976-01-01

One-dimensional small-amplitude wave motion in a two-phase system consisting of an inviscid gas and a cloud of suspended particles is analyzed using a continuum theory of suspensions. Laplace transform methods are used to obtain several approximate solutions. Properties of acoustic wave motion in particulate suspensions are inferred from these solutions.

Two-phase interdigitated microelectrode arrays for electrokinetic transport of microparticles

NASA Astrophysics Data System (ADS)

Bligh, Mathew; Stanley, Kevin G.; Hubbard, Ted; Kujath, Marek

2008-05-01

In this paper, we demonstrate long-range particle transport using linear two-phase interdigitated arrays with electrodes of equal size but with asymmetric spacing between them. We report net motion of 6 µm polystyrene spheres in an aqueous electrolyte and characterize the dependence of particle velocity on frequency, potential and phase, and show consistency with previous experiments that involved four-phase arrays producing AC electroosmotic and dielectrophoretic forces. We explore the effect of increasing the asymmetry of the electrode spacing and show that this decreases the performance of the array. We also examine the effect of increasing the overall scale of the array while maintaining geometric proportions and particle size and report that this also decreases the performance. We compare our results to previous analytical theoretical predictions and find general agreement.

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

Ma, Xiang; Zhang, Shuai; Jiao, Fang

Two-step nucleation pathways in which disordered, amorphous, or dense liquid states precede appearance of crystalline phases have been reported for a wide range of materials, but the dynamics of such pathways are poorly understood. Moreover, whether these pathways are general features of crystallizing systems or a consequence of system-specific structural details that select for direct vs two-step processes is unknown. Using atomic force microscopy to directly observe crystallization of sequence-defined polymers, we show that crystallization pathways are indeed sequence dependent. When a short hydrophobic region is added to a sequence that directly forms crystalline particles, crystallization instead follows a two-stepmore » pathway that begins with creation of disordered clusters of 10-20 molecules and is characterized by highly non-linear crystallization kinetics in which clusters transform into ordered structures that then enter the growth phase. The results shed new light on non-classical crystallization mechanisms and have implications for design of self-assembling polymer systems.« less

Transport, diffusion, and energy studies in the Arnold-Beltrami-Childress map

NASA Astrophysics Data System (ADS)

Das, Swetamber; Gupte, Neelima

2017-09-01

We study the transport and diffusion properties of passive inertial particles described by a six-dimensional dissipative bailout embedding map. The base map chosen for the study is the three-dimensional incompressible Arnold-Beltrami-Childress (ABC) map chosen as a representation of volume preserving flows. There are two distinct cases: the two-action and the one-action cases, depending on whether two or one of the parameters (A ,B ,C ) exceed 1. The embedded map dynamics is governed by two parameters (α ,γ ), which quantify the mass density ratio and dissipation, respectively. There are important differences between the aerosol (α <1 ) and the bubble (α >1 ) regimes. We have studied the diffusive behavior of the system and constructed the phase diagram in the parameter space by computing the diffusion exponents η . Three classes have been broadly classified—subdiffusive transport (η <1 ), normal diffusion (η ≈1 ), and superdiffusion (η >1 ) with η ≈2 referred to as the ballistic regime. Correlating the diffusive phase diagram with the phase diagram for dynamical regimes seen earlier, we find that the hyperchaotic bubble regime is largely correlated with normal and superdiffusive behavior. In contrast, in the aerosol regime, ballistic superdiffusion is seen in regions that largely show periodic dynamical behaviors, whereas subdiffusive behavior is seen in both periodic and chaotic regimes. The probability distributions of the diffusion exponents show power-law scaling for both aerosol and bubbles in the superdiffusive regimes. We further study the Poincáre recurrence times statistics of the system. Here, we find that recurrence time distributions show power law regimes due to the existence of partial barriers to transport in the phase space. Moreover, the plot of average particle kinetic energies versus the mass density ratio for the two-action case exhibits a devil's staircase-like structure for higher dissipation values. We explain these results and discuss their implications for realistic systems.

Dynamic properties of micro-particles in ultrasonic transportation using phase-controllable standing waves

NASA Astrophysics Data System (ADS)

Jia, Kun; Mei, Deqing; Meng, Jianxin; Yang, Keji

2014-10-01

Ultrasonic manipulation has become an attractive method for surface-sensitive objects in micro-technology. Related phenomena, such as radiation force, multiple scattering, and acoustic streaming, have been widely studied. However, in current studies, the behavior of micro-particles in potential force fields is always analyzed in a quasi-static manner. We developed a dynamic model of a dilute micro-particle in the commonly used two-dimensional ultrasonic manipulation system to provide a systemic and quantitative analysis of the transient properties of particle movement. In this model, the acoustic streaming and hydrodynamic forces, omitted in previous work, were both considered. The trajectory of a spherical silica particle with different initial conditions was derived by numerically solving the established nonlinear differential integral equation system, which was then validated experimentally. The envelope of the experimental data on the x-axis showed good agreement with the theoretical calculation, and the greater influence on the y-axis of the deviation between the actual sound field and the ideal distribution employed in our dynamic model could account for the differences in displacement in that direction. Finally, the influence of particle size on its movement and the effect of acoustic streaming on calculating the hydrodynamic forces for an isolated particle with motion relative to the fluid were analyzed theoretically. It was found that the ultrasonic manipulation system will translate from an under-damped system to an over-damped system with a decrease in particle size and the micro-scale acoustic streaming velocity was negligible when calculating the hydrodynamic forces on the particle in the ultrasonic manipulation system.

Multi-pulse shadowgraphic RGB illumination and detection for flow tracking

NASA Astrophysics Data System (ADS)

Menser, Jan; Schneider, Florian; Dreier, Thomas; Kaiser, Sebastian A.

2018-06-01

This work demonstrates the application of a multi-color LED and a consumer color camera for visualizing phase boundaries in two-phase flows, in particular for particle tracking velocimetry. The LED emits a sequence of short light pulses, red, green, then blue (RGB), and through its color-filter array, the camera captures all three pulses on a single RGB frame. In a backlit configuration, liquid droplets appear as shadows in each color channel. Color reversal and color cross-talk correction yield a series of three frozen-flow images that can be used for further analysis, e.g., determining the droplet velocity by particle tracking. Three example flows are presented, solid particles suspended in water, the penetrating front of a gasoline direct-injection spray, and the liquid break-up region of an "air-assisted" nozzle. Because of the shadowgraphic arrangement, long path lengths through scattering media lower image contrast, while visualization of phase boundaries with high resolution is a strength of this method. Apart from a pulse-and-delay generator, the overall system cost is very low.

Optical Correlation Techniques In Fluid Dynamics

NASA Astrophysics Data System (ADS)

Schatzel, K.; Schulz-DuBois, E. O.; Vehrenkamp, R.

1981-05-01

Three flow measurement techniques make use of fast digital correlators. (1) Most widely spread is photon correlation velocimetry using crossed laser beams and detecting Doppler shifted light scattered by small particles in the flow. Depending on the processing of the photon correlogram, this technique yields mean velocity, turbulence level, or even the detailed probability distribution of one velocity component. An improved data processing scheme is demonstrated on laminar vortex flow in a curved channel. (2) Rate correlation based upon threshold crossings of a high pass filtered laser Doppler signal can he used to obtain velocity correlation functions. The most powerful setup developed in our laboratory uses a phase locked loop type tracker and a multibit correlator to analyse time-dependent Taylor vortex flow. With two optical systems and trackers, crosscorrelation functions reveal phase relations between different vortices. (3) Making use of refractive index fluctuations (e. g. in two phase flows) instead of scattering particles, interferometry with bidirectional fringe counting and digital correlation and probability analysis constitute a new quantitative technique related to classical Schlieren methods. Measurements on a mixing flow of heated and cold air contribute new ideas to the theory of turbulent random phase screens.

Optical correlation techniques in fluid dynamics

NASA Astrophysics Data System (ADS)

Schätzel, K.; Schulz-Dubois, E. O.; Vehrenkamp, R.

1981-04-01

Three flow measurement techniques make use of fast digital correlators. The most widely spread is photon correlation velocimetry using crossed laser beams, and detecting Doppler shifted light scattered by small particles in the flow. Depending on the processing of the photon correlation output, this technique yields mean velocity, turbulence level, and even the detailed probability distribution of one velocity component. An improved data processing scheme is demonstrated on laminar vortex flow in a curved channel. In the second method, rate correlation based upon threshold crossings of a high pass filtered laser Doppler signal can be used to obtain velocity correlation functions. The most powerful set-up developed in our laboratory uses a phase locked loop type tracker and a multibit correlator to analyze time-dependent Taylor vortex flow. With two optical systems and trackers, cross-correlation functions reveal phase relations between different vortices. The last method makes use of refractive index fluctuations (eg in two phase flows) instead of scattering particles. Interferometry with bidirectional counting, and digital correlation and probability analysis, constitutes a new quantitative technique related to classical Schlieren methods. Measurements on a mixing flow of heated and cold air contribute new ideas to the theory of turbulent random phase screens.

Real-time interactive 3D manipulation of particles viewed in two orthogonal observation planes.

PubMed

Perch-Nielsen, Ivan; Rodrigo, Peter; Glückstad, Jesper

2005-04-18

The generalized phase contrast (GPC) method has been applied to transform a single TEM00 beam into a manifold of counterpropagating-beam traps capable of real-time interactive manipulation of multiple microparticles in three dimensions (3D). This paper reports on the use of low numerical aperture (NA), non-immersion, objective lenses in an implementation of the GPC-based 3D trapping system. Contrary to high-NA based optical tweezers, the GPC trapping system demonstrated here operates with long working distance (>10 mm), and offers a wider manipulation region and a larger field of view for imaging through each of the two opposing objective lenses. As a consequence of the large working distance, simultaneous monitoring of the trapped particles in a second orthogonal observation plane is demonstrated.

Theory of Fermi Liquid with Flat Bands

NASA Astrophysics Data System (ADS)

Khodel, V. A.

2018-04-01

A self-consistent theory of Fermi systems hosting flat bands is developed. Compared with an original model of fermion condensation, its key point consists in proper accounting for mixing between condensate and non-condensate degrees of freedom that leads to formation of a non-BCS gap Υ (p) in the single-particle spectrum. The results obtained explain: (1) the two-gap structure of spectra of single-particle excitations of electron systems of copper oxides, revealed in ARPES studies, (2) the role of violation of the topological stability of the Landau state in the arrangement of the T-x phase diagram of this family of high-T_c superconductors, (3) the topological nature of a metal-insulator transition, discovered in homogeneous two-dimensional low-density electron liquid of MOSFETs more than 20 years ago.

Phase diagrams and Hofstadter butterflies in the strongly correlated bosonic systems on the lattices with Dirac points

NASA Astrophysics Data System (ADS)

Sajna, A. S.; Polak, T. P.

2018-06-01

Gauge potentials with different configurations have been recently realized in the optical lattice experiments. It is remarkable that one of the simplest gauge potential can generate particle energy spectrum with the self-similar structure known as a Hofstadter butterfly. We investigate theoretically the impact of strong on-site interaction on such a spectrum in the bosonic Mott insulator within Bose-Hubbard model. In particular, it is shown that the fractal structure is encoded in the quasi-particle and hole bosonic branches for different lattice backgrounds. For example a square lattice and other structures (brick-wall and staggered magnetic flux lattice) which contain Dirac points in energy dispersions are considered. This shows that single-particle physics is still present even in the strong interaction limit for whole Hofstadter spectrum. Additionally we observe, that although in brick-wall and staggered flux lattices the quasi-particle densities of states look qualitatively similar, the corresponding Hofstadter butterfly assumes different forms. In particular, we use a superposition of two different synthetic gauge fields which appears to be a generator of non-trivial phenomena in the optical lattice systems. We also discuss the consequences of these phenomena on the phase diagrams between bosonic Mott insulator and superfluid phase. The analysis is carried out within the strong coupling expansion method on the finite size lattices and also at finite temperatures which are relevant for the currently made experiments.

Making and breaking bridges in a Pickering emulsion.

PubMed

French, David J; Taylor, Phil; Fowler, Jeff; Clegg, Paul S

2015-03-01

Particle bridges form in Pickering emulsions when the oil-water interfacial area generated by an applied shear is greater than that which can be stabilised by the available particles and the particles have a slight preference for the continuous phase. They can subsequently be broken by low shear or by modifying the particle wettability. We have developed a model oil-in-water system for studying particle bridging in Pickering emulsions stabilised by fluorescent Stöber silica. A mixture of dodecane and isopropyl myristate was used as the oil phase. We have used light scattering and microscopy to study the degree to which emulsions are bridged, and how this is affected by parameters including particle volume fraction, particle wettability and shear rate. We have looked for direct evidence of droplets sharing particles using freeze fracture scanning electron microscopy. We have created strongly aggregating Pickering emulsions using our model system. This aggregating state can be accessed by varying several different parameters, including particle wettability and particle volume fraction. Particles with a slight preference for the continuous phase are required for bridging to occur, and the degree of bridging increases with increasing shear rate but decreases with increasing particle volume fraction. Particle bridges can subsequently be removed by applying low shear or by modifying the particle wettability. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Random transitions described by the stochastic Smoluchowski-Poisson system and by the stochastic Keller-Segel model.

PubMed

Chavanis, P H; Delfini, L

2014-03-01

We study random transitions between two metastable states that appear below a critical temperature in a one-dimensional self-gravitating Brownian gas with a modified Poisson equation experiencing a second order phase transition from a homogeneous phase to an inhomogeneous phase [P. H. Chavanis and L. Delfini, Phys. Rev. E 81, 051103 (2010)]. We numerically solve the N-body Langevin equations and the stochastic Smoluchowski-Poisson system, which takes fluctuations (finite N effects) into account. The system switches back and forth between the two metastable states (bistability) and the particles accumulate successively at the center or at the boundary of the domain. We explicitly show that these random transitions exhibit the phenomenology of the ordinary Kramers problem for a Brownian particle in a double-well potential. The distribution of the residence time is Poissonian and the average lifetime of a metastable state is given by the Arrhenius law; i.e., it is proportional to the exponential of the barrier of free energy ΔF divided by the energy of thermal excitation kBT. Since the free energy is proportional to the number of particles N for a system with long-range interactions, the lifetime of metastable states scales as eN and is considerable for N≫1. As a result, in many applications, metastable states of systems with long-range interactions can be considered as stable states. However, for moderate values of N, or close to a critical point, the lifetime of the metastable states is reduced since the barrier of free energy decreases. In that case, the fluctuations become important and the mean field approximation is no more valid. This is the situation considered in this paper. By an appropriate change of notations, our results also apply to bacterial populations experiencing chemotaxis in biology. Their dynamics can be described by a stochastic Keller-Segel model that takes fluctuations into account and goes beyond the usual mean field approximation.

Entrainment of solid particles over irregular wavy walls

NASA Astrophysics Data System (ADS)

Milici, Barbara

2017-11-01

The distribution of inertial particles in turbulent flows is highly nonuniform and is governed by the dynamics of turbulent structures of the underlying carrier flow field which, in turn, is affected by the presence of a loading of dispersed particles. The issue is discussed here focusing on the coupling between near-bed coherent structures and suspended solid particles dynamics, in wall-bounded turbulent multiphase flows, bounded by rough boundaries. The friction Reynolds number of the unladen flow is Reτ=180 and the dispersed phase spans one order of magnitude of particle diameter. The analysis takes into account fluid-particle interaction (two-way coupling) in the frame of the Particle-Source-In-Cell (PSIC) method, using Direct Numerical Simulations (DNS) for the carrier phase coupled with Lagrangian Particle Tracking (LPT) for the dispersed phase. The effect of the wall's roughness is taken into account modelling the elastic rebound of particles onto it, instead of using a virtual rebound model.

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

Nigro, Valentina, E-mail: nigro@fis.uniroma3.it; Bruni, Fabio; Ricci, Maria Antonietta

The temperature dependence of the local intra-particle structure of colloidal microgel particles, composed of interpenetrated polymer networks, has been investigated by small-angle neutron scattering at different pH and concentrations, in the range (299÷315) K, where a volume phase transition from a swollen to a shrunken state takes place. Data are well described by a theoretical model that takes into account the presence of both interpenetrated polymer networks and cross-linkers. Two different behaviors are found across the volume phase transition. At neutral pH and T ≈ 307 K, a sharp change of the local structure from a water rich open inhomogeneousmore » interpenetrated polymer network to a homogeneous porous solid-like structure after expelling water is observed. Differently, at acidic pH, the local structure changes almost continuously. These findings demonstrate that a fine control of the pH of the system allows to tune the sharpness of the volume-phase transition.« less

Determination of baryon-baryon elastic scattering phase shift from finite volume spectra in elongated boxes

NASA Astrophysics Data System (ADS)

Li, Ning; Wu, Ya-Jie; Liu, Zhan-Wei

2018-01-01

The relations between the baryon-baryon elastic scattering phase shifts and the two-particle energy spectrum in the elongated box are established. We studied the cases with both the periodic boundary condition and twisted boundary condition in the center of mass frame. The framework is also extended to the system of nonzero total momentum with periodic boundary condition in the moving frame. Moreover, we discussed the sensitivity functions σ (q ) that represent the sensitivity of higher scattering phases. Our analytical results will be helpful to extract the baryon-baryon elastic scattering phase shifts in the continuum from lattice QCD data by using elongated boxes.

The role of three-dimensional transport in driving enhanced electron acceleration during magnetic reconnection

NASA Astrophysics Data System (ADS)

Dahlin, J. T.; Drake, J. F.; Swisdak, M.

2017-09-01

Magnetic reconnection is an important driver of energetic particles in many astrophysical phenomena. Using kinetic particle-in-cell simulations, we explore the impact of three-dimensional reconnection dynamics on the efficiency of particle acceleration. In two-dimensional systems, Alfvénic outflows expel energetic electrons into flux ropes where they become trapped and disconnected from acceleration regions. However, in three-dimensional systems these flux ropes develop an axial structure that enables particles to leak out and return to acceleration regions. This requires a finite guide field so that particles may move quickly along the flux rope axis. We show that greatest energetic electron production occurs when the guide field is of the same order as the reconnecting component: large enough to facilitate strong transport, but not so large as to throttle the dominant Fermi mechanism responsible for efficient electron acceleration. This suggests a natural explanation for the envelope of electron acceleration during the impulsive phase of eruptive flares.

Phase transition of light in cavity QED lattices.

PubMed

Schiró, M; Bordyuh, M; Oztop, B; Türeci, H E

2012-08-03

Systems of strongly interacting atoms and photons, which can be realized wiring up individual cavity QED systems into lattices, are perceived as a new platform for quantum simulation. While sharing important properties with other systems of interacting quantum particles, here we argue that the nature of light-matter interaction gives rise to unique features with no analogs in condensed matter or atomic physics setups. By discussing the physics of a lattice model of delocalized photons coupled locally with two-level systems through the elementary light-matter interaction described by the Rabi model, we argue that the inclusion of counterrotating terms, so far neglected, is crucial to stabilize finite-density quantum phases of correlated photons out of the vacuum, with no need for an artificially engineered chemical potential. We show that the competition between photon delocalization and Rabi nonlinearity drives the system across a novel Z(2) parity symmetry-breaking quantum criticality between two gapped phases that share similarities with the Dicke transition of quantum optics and the Ising critical point of quantum magnetism. We discuss the phase diagram as well as the low-energy excitation spectrum and present analytic estimates for critical quantities.

Absolute Definition of Phase Shift in the Elastic Scattering of a Particle from Compound Systems

NASA Technical Reports Server (NTRS)

Temkin, A.

1961-01-01

The projection of the target wave function on the total wave function of a scattered particle interacting with the target system is used to define an absolute phase shift including any multiples of pi. With this definition of the absolute phase shift, one can prove rigorously in the limit of zero energy for s-wave electrons scattered from atomic hydrogen that the triplet phase shift must approach a nonzero multiple of pi. One can further show that at least one pi of this phase shift is not connected with the existence of a bound state of the H- ion.

Rheology and microstructure of filled polymer melts

NASA Astrophysics Data System (ADS)

Anderson, Benjamin John

The states of particle dispersion in polymer nanocomposite melts are studied through rheological characterization of nanocomposite melt mechanical properties and small angle X-ray scattering measurement of the particle microstructure. The particle microstructure probed with scattering is related to bulk flow mechanics to determine the origin of slow dynamics in these complex dispersions: whether a gel or glass transition or a slowing down of dispersing phase dynamics. These studies were conducted to understand polymer mediated particle-particle interactions and potential particle-polymer phase separation. The phase behavior of the dispersion will be governed by enthalpic and entropic contributions. A variety of phases are expected: homogeneous fluid, phase separated, or non-equilibrium gel. The effects of dispersion control parameters, namely particle volume fraction, polymer molecular weight, and polymer-particle surface affinity, on the phase behavior of 44 nm silica dispersions are studied in low molecular weight polyethylene oxide (PEO), polyethylene oxide dimethylether (PEODME), and polytetrahydrofuran (PTHF). Scattering measurements of the particle second virial coefficient in PEO melts indicates repulsive particles by a value slightly greater than unity. In PEO nanocomposites, dispersion dynamics slow down witnessed by a plateau in the elastic modulus as the particle separation approaches the length scale of the polymer radius of gyration. As the polymer molecular weight is increased, the transition shifts to lower particle volume fractions. Below polymer entanglement, the slow dynamics mimics that of a colloidal glass by the appearance of two relaxation times in the viscous modulus that display power law scaling with volume fraction. Above entanglement, the slow dynamics is qualitatively different resembling the behavior of a gelled suspension yet lacking any sign of scattering from particle agglomerates. As polymer molecular weight is increased at a fixed volume fraction, two strain yielding events emerge. Further particle loading leads to the formation of a particle-polymer network and the onset of brittle mechanical behavior. The performance of PEO nanocomposites is contrasted by PEODME and PTHF nanocomposites where a change in the polymer segment-surface activity changes the slow dynamics of the nanocomposite and the microstructure of particles in the melt. Slow dynamics and the particle microstructure indicate a gelled suspension as volume fraction is raised with particles in or near contact and support the turning on of particle attractions in the melt.

Constant-pressure nested sampling with atomistic dynamics

NASA Astrophysics Data System (ADS)

Baldock, Robert J. N.; Bernstein, Noam; Salerno, K. Michael; Pártay, Lívia B.; Csányi, Gábor

2017-10-01

The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are inefficient for condensed systems with general interactions where single-particle moves cannot be evaluated faster than the energy of the whole system. Here we enhance the method by using all-particle moves: either Galilean Monte Carlo or the total enthalpy Hamiltonian Monte Carlo algorithm, introduced in this paper. We show that these algorithms enable the determination of phase transition temperatures with equivalent accuracy to the previous method at 1 /N of the cost for an N -particle system with general interactions, or at equal cost when single-particle moves can be done in 1 /N of the cost of a full N -particle energy evaluation. We demonstrate this speed-up for the freezing and condensation transitions of the Lennard-Jones system and show the utility of the algorithms by calculating the order-disorder phase transition of a binary Lennard-Jones model alloy, the eutectic of copper-gold, the density anomaly of water, and the condensation and solidification of bead-spring polymers. The nested sampling method with all three algorithms is implemented in the pymatnest software.

Finding a Needle in the Haystack: Identification of Functionally Important Minority Phases in an Operating Battery

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

Zhang, Kai; Ren, Fang; Wang, Xuelong

The in-depth understanding of the minority phases’ roles in functional materials, e.g., batteries, is critical for optimizing the system performance and the operational efficiency. Although the visualization of battery electrode under operating conditions has been demonstrated, the development of advanced data-mining approaches is still needed in order to identify minority phases and to understand their functionalities. The present study uses nanoscale X-ray spectromicroscopy to study a functional LiCoO 2/Li battery pouch cell. The data-mining approaches developed herein were used to search through over 10 million X-ray absorption spectra that cover more than 100 active cathode particles. Two particles with unanticipatedmore » chemical fingerprints were identified and further analyzed, providing direct evidence and valuable insight into the undesired side reactions involving the cation dissolution and precipitation as well as the local overlithiation-caused subparticle domain deactivation. As a result, the data-mining approach described in this work is widely applicable to many other structurally complex and chemically heterogeneous systems, in which the secondary/minority phases could critically affect the overall performance of the system, well beyond battery research.« less

Finding a Needle in the Haystack: Identification of Functionally Important Minority Phases in an Operating Battery

DOE PAGES

Zhang, Kai; Ren, Fang; Wang, Xuelong; ...

2017-11-08

The in-depth understanding of the minority phases’ roles in functional materials, e.g., batteries, is critical for optimizing the system performance and the operational efficiency. Although the visualization of battery electrode under operating conditions has been demonstrated, the development of advanced data-mining approaches is still needed in order to identify minority phases and to understand their functionalities. The present study uses nanoscale X-ray spectromicroscopy to study a functional LiCoO 2/Li battery pouch cell. The data-mining approaches developed herein were used to search through over 10 million X-ray absorption spectra that cover more than 100 active cathode particles. Two particles with unanticipatedmore » chemical fingerprints were identified and further analyzed, providing direct evidence and valuable insight into the undesired side reactions involving the cation dissolution and precipitation as well as the local overlithiation-caused subparticle domain deactivation. As a result, the data-mining approach described in this work is widely applicable to many other structurally complex and chemically heterogeneous systems, in which the secondary/minority phases could critically affect the overall performance of the system, well beyond battery research.« less

Understanding hygroscopic growth and phase transformation of aerosols using single particle Raman spectroscopy in an electrodynamic balance.

PubMed

Lee, Alex K Y; Ling, T Y; Chan, Chak K

2008-01-01

Hygroscopic growth is one of the most fundamental properties of atmospheric aerosols. By absorbing or evaporating water, an aerosol particle changes its size, morphology, phase, chemical composition and reactivity and other parameters such as its refractive index. These changes affect the fate and the environmental impacts of atmospheric aerosols, including global climate change. The ElectroDynamic Balance (EDB) has been widely accepted as a unique tool for measuring hygroscopic properties and for investigating phase transformation of aerosols via single particle levitation. Coupled with Raman spectroscopy, an EDB/Raman system is a powerful tool that can be used to investigate both physical and chemical changes associated with the hygroscopic properties of individually levitated particles under controlled environments. In this paper, we report the use of an EDB/Raman system to investigate (1) contact ion pairs formation in supersaturated magnesium sulfate solutions; (2) phase transformation in ammonium nitrate/ammonium sulfate mixed particles; (3) hygroscopicity of organically coated inorganic aerosols; and (4) heterogeneous reactions altering the hygroscopicity of organic aerosols.

Non-Linear Dynamics of Saturn's Rings

NASA Astrophysics Data System (ADS)

Esposito, L. W.

2016-12-01

Non-linear processes can explain why Saturn's rings are so active and dynamic. Ring systems differ from simple linear systems in two significant ways: 1. They are systems of granular material: where particle-to-particle collisions dominate; thus a kinetic, not a fluid description needed. Stresses are strikingly inhomogeneous and fluctuations are large compared to equilibrium. 2. They are strongly forced by resonances: which drive a non-linear response, that push the system across thresholds that lead to persistent states. Some of this non-linearity is captured in a simple Predator-Prey Model: Periodic forcing from the moon causes streamline crowding; This damps the relative velocity. About a quarter phase later, the aggregates stir the system to higher relative velocity and the limit cycle repeats each orbit, with relative velocity ranging from nearly zero to a multiple of the orbit average. Summary of Halo Results: A predator-prey model for ring dynamics produces transient structures like `straw' that can explain the halo morphology and spectroscopy: Cyclic velocity changes cause perturbed regions to reach higher collision speeds at some orbital phases, which preferentially removes small regolith particles; surrounding particles diffuse back too slowly to erase the effect: this gives the halo morphology; this requires energetic collisions (v ≈ 10m/sec, with throw distances about 200km, implying objects of scale R ≈ 20km).Transform to Duffing Eqn : With the coordinate transformation, z = M2/3, the Predator-Prey equations can be combined to form a single second-order differential equation with harmonic resonance forcing.Ring dynamics and history implications: Moon-triggered clumping explains both small and large particles at resonances. We calculate the stationary size distribution using a cell-to-cell mapping procedure that converts the phase-plane trajectories to a Markov chain. Approximating it as an asymmetric random walk with reflecting boundaries determines the power law index, using results of numerical simulations in the tidal environment. Aggregates can explain many dynamic aspects of the rings and can renew rings by shielding and recycling the material within them, depending on how long the mass is sequestered. We can ask: Are Saturn's rings a chaotic non-linear driven system?

Density functional theory for hard uniaxial particles: Complex ordering of pear-shaped and spheroidal particles near a substrate

NASA Astrophysics Data System (ADS)

Schönhöfer, Philipp W. A.; Schröder-Turk, Gerd E.; Marechal, Matthieu

2018-03-01

We develop a density functional for hard particles with a smooth uniaxial shape (including non-inversion-symmetric particles) within the framework of fundamental measure theory. By applying it to a system of tapered, aspherical liquid-crystal formers, reminiscent of pears, we analyse their behaviour near a hard substrate. The theory predicts a complex orientational ordering close to the substrate, which can be directly related to the particle shape, in good agreement with our simulation results. Furthermore, the lack of particle inversion-symmetry implies the possibility of alternating orientations in subsequent layers as found in a smectic/lamellar phase of such particles. Both theory and Monte Carlo simulations confirm that such ordering occurs in our system. Our results are relevant for adsorption processes of asymmetric colloidal particles and molecules at hard interfaces and show once again that tapering strongly affects the properties of orientationally ordered phases.

Constraints on Martian Aerosol Particles Using MGS/TES and HST Data: Shapes

NASA Astrophysics Data System (ADS)

Wolff, M. J.; Clancy, R. T.; Pitman, K. M.; Bell, J. F.; James, P. B.

2001-12-01

In order to constrain the shape of water ice and dust aerosols, we have combined a numerical approach for axisymmetric particle shapes, i.e., cylinders, disks, spheroids (Waterman's T-Matrix approach as improved by Mishchenko and collaborators; cf., Mishchenko et al. 1997, JGR, 102, D14, 16,831), with a multiple-scattering radiative transfer algorithm. We utilize a two-stage iterative process. First, we empirically derive a scattering phase function for each aerosol component from radiative transfer models of Mars Global Surveyor Thermal Emission Spectrometer Emission Phase Function (EPF) sequences. Next, we perform a series of scattering calculations, adjusting our parameters to arrive at a ``best-fit'' theoretical phase function. It is important to note that in addition to randomly-oriented particles, we explicitly consider the possibility of (partially) aligned aerosol particles as well. Thus far, we have been analyzing the three empirically-derived presented by Clancy et al. (this meeting): dust, Type I ice particles (effective radii ~ 1-2 microns), and Type II ice particles (effective radii ~ 3-4 microns). We find that the ``dust'' phase function is best fit by randomly-oriented cylinders with an axial ratio (D/L = diameter-to-length) of either 2.3 or 0.6. Similarly, the shape of the Type II ice curve is reasonably reproduced by randomly-oriented spheroids with an axial ratio of either 0.7 or 1.4. However, neither of the two shapes (nor that of spheres or randomly-oriented hexagonal prisms) can reproduce the phase function derived for the Type I ice. This led to the direct consideration of oriented or aligned particles. which, at least qualitatively, have the ability to account for the phase function shapes for both Type I and II ice particles. The difference between these two phase functions may represent the degree of alignment, with the Type II particles being much less-aligned. The calculations for partially aligned particles is quite numerically intensive and this avenue of research is currently in progress. Additional work is also being done to further constrain the dust aerosol properties using both TES visible/IR and Hubble Space Telescope UV-NIR spectroscopy/imaging data of the recent (and ongoing) Martian global dust storm. Our work has been supported through NASA (MDAP) grant NAG5-9820, (MED) JPL contract 961471, STScI GO programs #8577 and #9052.

Highly Transparent w/o Pickering Emulsions without Adjusting the Refractive Index of the Stabilizing Particles.

PubMed

Sihler, Susanne; Lindén, Mika; Ziener, Ulrich

2017-10-03

Pickering emulsions with a remarkable transmittance of up to 86% across the visible spectrum have been prepared without adjusting the refractive index (RI) of the stabilizing particles to those of the aqueous and oil phases. Commercially available hydrophilic silica particles with a diameter of 20 nm, which are hydrophobized partially in situ, were used to stabilize water droplets with diameters below 400 nm in IsoparM. In this system, the stabilizing particles and the emulsion droplets act as one single scattering object, which renders RI-matching of the particles unnecessary. By either evaporation of some water from the droplets or addition of an appropriate organic liquid to the oil phase, it is possible to match the RI of the droplets (aqueous phase + particles) with that of the continuous phase, which minimizes scattering and results in highly transparent emulsions.

‘Life is motion’: multiscale motility of molecular motors

NASA Astrophysics Data System (ADS)

Lipowsky, Reinhard; Klumpp, Stefan

2005-07-01

Life is intimately related to complex patterns of directed movement. It is quite remarkable that all of this movement is based on filaments and motor molecules which perform mechanical work on the nanometer scale. This article reviews recent theoretical work on the motility of molecular motors and motor particles that bind to cytoskeletal filaments and walk along these filaments in a directed fashion. It is emphasized that these systems exhibit several motility regimes which are well seperated in time. In their bound state, the motor particles move with a typical velocity of about 1 μm/s. The motor cycles underlying this bound motor movement can be understood in terms of driven Brownian ratchets and networks. On larger length and time scales, the motor particles unbind from the filaments and undergo peculiar motor walks consisting of many diffusional encounters with the filaments. If the mutual exclusion (or hardcore repulsion) of these motor particles is taken into account, one finds a variety of cooperative phenomena and self-organized processes: build-up of traffic jams; active structure formation leading to steady states with spatially nonuniform density and current patterns; and active phase transitions between different steady states far from equilibrium. A particularly simple active phase transition with spontaneous symmetry breaking is predicted to occur in systems with two species of motor particles which walk on the filaments in opposite directions.

Comparison of aerosol effects on simulated spring and summer hailstorm clouds

NASA Astrophysics Data System (ADS)

Yang, Huiling; Xiao, Hui; Guo, Chunwei; Wen, Guang; Tang, Qi; Sun, Yue

2017-07-01

Numerical simulations are carried out to investigate the effect of cloud condensation nuclei (CCN) concentrations on microphysical processes and precipitation characteristics of hailstorms. Two hailstorm cases are simulated, a spring case and a summer case, in a semiarid region of northern China, with the Regional Atmospheric Modeling System. The results are used to investigate the differences and similarities of the CCN effects between spring and summer hailstorms. The similarities are: (1) The total hydrometeor mixing ratio decreases, while the total ice-phase mixing ratio enhances, with increasing CCN concentration; (2) Enhancement of the CCN concentration results in the production of a greater amount of small-sized hydrometeor particles, but a lessening of large-sized hydrometeor particles; (3) As the CCN concentration increases, the supercooled cloud water and rainwater make a lesser contribution to hail, while the ice-phase hydrometeors take on active roles in the growth of hail; (4) When the CCN concentration increases, the amount of total precipitation lessens, while the role played by liquid-phase rainfall in the amount of total precipitation reduces, relatively, compared to that of ice-phase precipitation. The differences between the two storms include: (1) An increase in the CCN concentration tends to reduce pristine ice mixing ratios in the spring case but enhance them in the summer case; (2) Ice-phase hydrometeor particles contribute more to hail growth in the spring case, while liquid water contributes more in the summer case; (3) An increase in the CCN concentration has different effects on surface hail precipitation in different seasons.

Emergent phases of fractonic matter

NASA Astrophysics Data System (ADS)

Prem, Abhinav; Pretko, Michael; Nandkishore, Rahul M.

2018-02-01

Fractons are emergent particles which are immobile in isolation, but which can move together in dipolar pairs or other small clusters. These exotic excitations naturally occur in certain quantum phases of matter described by tensor gauge theories. Previous research has focused on the properties of small numbers of fractons and their interactions, effectively mapping out the "standard model" of fractons. In the present work, however, we consider systems with a finite density of either fractons or their dipolar bound states, with a focus on the U (1 ) fracton models. We study some of the phases in which emergent fractonic matter can exist, thereby initiating the study of the "condensed matter" of fractons. We begin by considering a system with a finite density of fractons, which we show can exhibit microemulsion physics, in which fractons form small-scale clusters emulsed in a phase dominated by long-range repulsion. We then move on to study systems with a finite density of mobile dipoles, which have phases analogous to many conventional condensed matter phases. We focus on two major examples: Fermi liquids and quantum Hall phases. A finite density of fermionic dipoles will form a Fermi surface and enter a Fermi liquid phase. Interestingly, this dipolar Fermi liquid exhibits a finite-temperature phase transition, corresponding to an unbinding transition of fractons. Finally, we study chiral two-dimensional phases corresponding to dipoles in "quantum Hall" states of their emergent magnetic field. We study numerous aspects of these generalized quantum Hall systems, such as their edge theories and ground state degeneracies.

Interaction of high density lipoprotein particles with membranes containing cholesterol.

PubMed

Sanchez, Susana A; Tricerri, Maria A; Gratton, Enrico

2007-08-01

In this study, free cholesterol (FC) efflux mediated by human HDL was investigated using fluorescence methodologies. The accessibility of FC to HDL may depend on whether it is located in regions rich in unsaturated phospholipids or in domains containing high levels of FC and sphingomyelin, known as "lipid rafts." Laurdan generalized polarization and two-photon microscopy were used to quantify FC removal from different pools in the bilayer of giant unilamellar vesicles (GUVs). GUVs made of POPC and FC were observed after incubation with reconstituted particles containing apolipoprotein A-I and POPC [78A diameter reconstituted high density lipoprotein (rHDL)]. Fluorescence correlation spectroscopy data show an increase in rHDL size during the incubation period. GUVs made of two "raft-like" mixtures [DOPC/DPPC/FC (1:1:1) and POPC/SPM/FC (6:1:1)] were used to model liquid-ordered/liquid-disordered phase coexistence. Through these experiments, we conclude that rHDL preferentially removes cholesterol from the more fluid phases. These data, and their extrapolation to in vivo systems, show the significant role that phase separation plays in the regulation of cholesterol homeostasis.

Microgravity

NASA Image and Video Library

1998-10-01

The ADvanced SEParation (ADSEP) commercial payload is making use of major advances in separation technology: The Phase Partitioning Experiment (PPE); the Micorencapsulation experiment; and the Hemoglobin Separation Experiment (HSE). Using ADSEP, commercial researchers will attempt to determine the partition coefficients for model particles in a two-phase system. With this information, researchers can develop a higher resolution, more effective cell isolation procedure that can be used for many different types of research and for improved health care. The advanced separation technology is already being made available for use in ground-based laboratories.

Detailed Studies on Flame Extinction by Inert Particles in Normal- and Micro-gravity

NASA Technical Reports Server (NTRS)

Andac, M. G.; Egolfopoulos, F. N.; Campbell, C. S.

2001-01-01

The combustion of dusty flows has been studied to lesser extent than pure gas phase flows and sprays. Particles can have a strong effect by modifying the dynamic response and detailed structure of flames through the dynamic, thermal, and chemical couplings between the two phases. A rigorous understanding of the dynamics and structure of two-phase flows can be attained in stagnation flow configurations, which have been used by others to study spray combustion as well as reacting dusty flows. In earlier studies on reacting dusty flows, the thermal coupling between the two phases as well as the effect of gravity on the flame response were not considered. However, in Ref. 6, the thermal coupling between chemically inert particles and the gas was addressed in premixed flames. The effects of gravity was also studied showing that it can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature. The results showed a strong dynamic and thermal dependence of reacting dusty flows to particle number density. However, the work was only numerical and limited to twin-flames, stagnation, premixed flames. In Ref. 7 the effects of chemically inert particle clouds on the extinction of strained premixed and non-premixed flames were studied both experimentally and numerically at 1-g. It was shown and explained that large particles can cause more effective flame cooling compared to smaller particles. The effects of flame configuration and particle injection orientation were also addressed. The complexity of the coupling between the various parameters in such flows was demonstrated and it was shown that it was impossible to obtain a simple and still meaningful scaling that captured all the pertinent physics.

Kinetics of motility-induced phase separation and swim pressure

NASA Astrophysics Data System (ADS)

Patch, Adam; Yllanes, David; Marchetti, M. Cristina

2017-01-01

Active Brownian particles (ABPs) represent a minimal model of active matter consisting of self-propelled spheres with purely repulsive interactions and rotational noise. Here we examine the pressure of ABPs in two dimensions in both closed boxes and systems with periodic boundary conditions and show that its nonmonotonic behavior with density is a general property of ABPs and is not the result of finite-size effects. We correlate the time evolution of the mean pressure towards its steady-state value with the kinetics of motility-induced phase separation. For parameter values corresponding to phase-separated steady states, we identify two dynamical regimes. The pressure grows monotonically in time during the initial regime of rapid cluster formation, overshooting its steady-state value and then quickly relaxing to it, and remains constant during the subsequent slower period of cluster coalescence and coarsening. The overshoot is a distinctive feature of active systems.

Looking for the Phase Transition—Recent NA61/SHINE Results

NASA Astrophysics Data System (ADS)

Turko, Ludwik

2018-03-01

The fixed-target NA61/SHINE experiment (SPS CERN) looks for the critical point of strongly interacting matter and the properties of the onset of deconfinement. It is a two dimensional scan of measurements of particle spectra and fluctuations in proton-proton, proton-nucleus and nucleus-nucleus interactions as a function of collision energy and system size, corresponding to a two dimensional phase diagram (temperature T - baryonic chemical potential $\\mu_B$). New NA61/SHINE results are presented here, such as transverse momentum and multiplicity fluctuations in Ar+Sc collisions compared to NA61/SHINE p+p and Be+Be data, as well as to earlier NA49 A+A results. Recently, a preliminary signature for the new size dependent effect - rapid changes in system size dependence was observed in NA61-SHINE data, labeled as percolation threshold or onset of fireball. This would be closely related to the vicinity of the hadronic phase transition region.

Charged particle layers in the Debye limit.

PubMed

Golden, Kenneth I; Kalman, Gabor J; Kyrkos, Stamatios

2002-09-01

We develop an equivalent of the Debye-Hückel weakly coupled equilibrium theory for layered classical charged particle systems composed of one single charged species. We consider the two most important configurations, the charged particle bilayer and the infinite superlattice. The approach is based on the link provided by the classical fluctuation-dissipation theorem between the random-phase approximation response functions and the Debye equilibrium pair correlation function. Layer-layer pair correlation functions, screened and polarization potentials, static structure functions, and static response functions are calculated. The importance of the perfect screening and compressibility sum rules in determining the overall behavior of the system, especially in the r--> infinity limit, is emphasized. The similarities and differences between the quasi-two-dimensional bilayer and the quasi-three-dimensional superlattice are highlighted. An unexpected behavior that emerges from the analysis is that the screened potential, the correlations, and the screening charges carried by the individual layers exhibit a marked nonmonotonic dependence on the layer separation.

Generating heavy particles with energy and momentum conservation

NASA Astrophysics Data System (ADS)

Mereš, Michal; Melo, Ivan; Tomášik, Boris; Balek, Vladimír; Černý, Vladimír

2011-12-01

We propose a novel algorithm, called REGGAE, for the generation of momenta of a given sample of particle masses, evenly distributed in Lorentz-invariant phase space and obeying energy and momentum conservation. In comparison to other existing algorithms, REGGAE is designed for the use in multiparticle production in hadronic and nuclear collisions where many hadrons are produced and a large part of the available energy is stored in the form of their masses. The algorithm uses a loop simulating multiple collisions which lead to production of configurations with reasonably large weights. Program summaryProgram title: REGGAE (REscattering-after-Genbod GenerAtor of Events) Catalogue identifier: AEJR_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJR_v1_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.: 1523 No. of bytes in distributed program, including test data, etc.: 9608 Distribution format: tar.gz Programming language: C++ Computer: PC Pentium 4, though no particular tuning for this machine was performed. Operating system: Originally designed on Linux PC with g++, but it has been compiled and ran successfully on OS X with g++ and MS Windows with Microsoft Visual C++ 2008 Express Edition, as well. RAM: This depends on the number of particles which are generated. For 10 particles like in the attached example it requires about 120 kB. Classification: 11.2 Nature of problem: The task is to generate momenta of a sample of particles with given masses which obey energy and momentum conservation. Generated samples should be evenly distributed in the available Lorentz-invariant phase space. Solution method: In general, the algorithm works in two steps. First, all momenta are generated with the GENBOD algorithm. There, particle production is modeled as a sequence of two-body decays of heavy resonances. After all momenta are generated this way, they are reshuffled. Each particle undergoes a collision with some other partner such that in the pair center of mass system the new directions of momenta are distributed isotropically. After each particle collides only a few times, the momenta are distributed evenly across the whole available phase space. Starting with GENBOD is not essential for the procedure but it improves the performance. Running time: This depends on the number of particles and number of events one wants to generate. On a LINUX PC with 2 GHz processor, generation of 1000 events with 10 particles each takes about 3 s.

Course 4: Anyons

NASA Astrophysics Data System (ADS)

Myrheim, J.

Contents 1 Introduction 1.1 The concept of particle statistics 1.2 Statistical mechanics and the many-body problem 1.3 Experimental physics in two dimensions 1.4 The algebraic approach: Heisenberg quantization 1.5 More general quantizations 2 The configuration space 2.1 The Euclidean relative space for two particles 2.2 Dimensions d=1,2,3 2.3 Homotopy 2.4 The braid group 3 Schroedinger quantization in one dimension 4 Heisenberg quantization in one dimension 4.1 The coordinate representation 5 Schroedinger quantization in dimension d ≥ 2 5.1 Scalar wave functions 5.2 Homotopy 5.3 Interchange phases 5.4 The statistics vector potential 5.5 The N-particle case 5.6 Chern-Simons theory 6 The Feynman path integral for anyons 6.1 Eigenstates for position and momentum 6.2 The path integral 6.3 Conjugation classes in SN 6.4 The non-interacting case 6.5 Duality of Feynman and Schroedinger quantization 7 The harmonic oscillator 7.1 The two-dimensional harmonic oscillator 7.2 Two anyons in a harmonic oscillator potential 7.3 More than two anyons 7.4 The three-anyon problem 8 The anyon gas 8.1 The cluster and virial expansions 8.2 First and second order perturbative results 8.3 Regularization by periodic boundary conditions 8.4 Regularization by a harmonic oscillator potential 8.5 Bosons and fermions 8.6 Two anyons 8.7 Three anyons 8.8 The Monte Carlo method 8.9 The path integral representation of the coefficients GP 8.10 Exact and approximate polynomials 8.11 The fourth virial coefficient of anyons 8.12 Two polynomial theorems 9 Charged particles in a constant magnetic field 9.1 One particle in a magnetic field 9.2 Two anyons in a magnetic field 9.3 The anyon gas in a magnetic field 10 Interchange phases and geometric phases 10.1 Introduction to geometric phases 10.2 One particle in a magnetic field 10.3 Two particles in a magnetic field 10.4 Interchange of two anyons in potential wells 10.5 Laughlin's theory of the fractional quantum Hall effect

Development of a model and computer code to describe solar grade silicon production processes

NASA Technical Reports Server (NTRS)

Gould, R. K.; Srivastava, R.

1979-01-01

Two computer codes were developed for describing flow reactors in which high purity, solar grade silicon is produced via reduction of gaseous silicon halides. The first is the CHEMPART code, an axisymmetric, marching code which treats two phase flows with models describing detailed gas-phase chemical kinetics, particle formation, and particle growth. It can be used to described flow reactors in which reactants, mix, react, and form a particulate phase. Detailed radial gas-phase composition, temperature, velocity, and particle size distribution profiles are computed. Also, deposition of heat, momentum, and mass (either particulate or vapor) on reactor walls is described. The second code is a modified version of the GENMIX boundary layer code which is used to compute rates of heat, momentum, and mass transfer to the reactor walls. This code lacks the detailed chemical kinetics and particle handling features of the CHEMPART code but has the virtue of running much more rapidly than CHEMPART, while treating the phenomena occurring in the boundary layer in more detail.

Measurements of gas and particle polycyclic aromatic hydrocarbons (PAHs) in air at urban, rural and near-roadway sites

NASA Astrophysics Data System (ADS)

Pratt, G. C.; Herbrandson, C.; Krause, M. J.; Schmitt, C.; Lippert, C. J.; McMahon, C. R.; Ellickson, K. M.

2018-04-01

We measured polycyclic aromatic hydrocarbons (PAHs) in gas and particle phases over two years using high volume samplers equipped with quartz fiber filters and XAD-4 at a rural site, an urban site, and a site adjacent to a heavily trafficked roadway. Overall results were generally as expected, in that concentrations increased from rural to urban to near-roadway sites, and PAHs with high vapor pressures (liquid subcooled, PoL) and low octanol-air partition coefficients (Koa) were mainly in the gas phase, while those with low PoL and high Koa were predominantly in the particle phase. Intermediate PAHs existed in both phases with the phase distribution following a seasonal pattern of higher gas phase concentrations in summer due to temperature effects. The overall pattern of phase distribution was consistent with PAH properties and ambient conditions and was similar at all three sites. The particle-bound fraction (ϕ) was well-described empirically by nonlinear regressions with log Koa and log PoL as predictors. Adsorption and absorption models underestimated the particle-bound fraction for most PAHs. The dual aerosol-air/soot-air model generally represented the gas-particle partitioning better than the other models across all PAHs, but there was a tendency to underestimate the range in the particle-bound fraction seen in measurements. There was a statistically insignificant tendency for higher PAHs in the particle phase at the near roadway site, and one piece of evidence that PAHs may be enriched on ultrafine particles at the near roadway site. Understanding the phase and particle size distributions of PAHs in highly polluted, high exposure microenvironments near traffic sources will help shed light on potential health effects.

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.

Chiral liquid phase of simple quantum magnets

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

Wang, Zhentao; Feiguin, Adrian E.; Zhu, Wei

2017-11-07

We study a T=0 quantum phase transition between a quantum paramagnetic state and a magnetically ordered state for a spin S=1 XXZ Heisenberg antiferromagnet on a two-dimensional triangular lattice. The transition is induced by an easy-plane single-ion anisotropy D. At the mean-field level, the system undergoes a direct transition at a critical D=D c between a paramagnetic state at D>D c and an ordered state with broken U(1) symmetry at Dc. We show that beyond mean field the phase diagram is very different and includes an intermediate, partially ordered chiral liquid phase. Specifically, we find that inside the paramagnetic phasemore » the Ising (J z) component of the Heisenberg exchange binds magnons into a two-particle bound state with zero total momentum and spin. This bound state condenses at D>D c, before single-particle excitations become unstable, and gives rise to a chiral liquid phase, which spontaneously breaks spatial inversion symmetry, but leaves the spin-rotational U(1) and time-reversal symmetries intact. This chiral liquid phase is characterized by a finite vector chirality without long-range dipolar magnetic order. In our analytical treatment, the chiral phase appears for arbitrarily small J z because the magnon-magnon attraction becomes singular near the single-magnon condensation transition. This phase exists in a finite range of D and transforms into the magnetically ordered state at some Dc. In conclusion, we corroborate our analytic treatment with numerical density matrix renormalization group calculations.« less

Nanoscale and Microscale Iron Emulsions for Treating DNAPL

NASA Technical Reports Server (NTRS)

Geiger, Cherie L.

2002-01-01

This study demonstrated the feasibility of using emulsified nanoscale and microscale iron particles to enhance dehalogenation of (Dense Non-Aqueous Phase Liquid) DNAPL free-phase. The emulsified system consisted of a surfactant-stabilized, biodegradable oil-in-water emulsion with nanoscale or microscale iron particles contained within the emulsion droplets. It was demonstrated that DNAPLs, such as trichloroethene (TCE), diffuse through the oil membrane of the emulsion particle whereupon they reach an aqueous interior and the surface of an iron particle where dehalogenation takes place. The hydrocarbon reaction by-products of the dehalogenation reaction, primarily ethene (no chlorinated products detected), diffuse out of the emulsion droplet. This study also demonstrated that an iron-emulsion system could be delivered in-situ to the DNAPL pool in a soil matrix by using a simulated push well technique. Iron emulsions degraded pure TCE at a rate comparable to the degradation of dissolved phase TCE by iron particles, while pure iron had a very low degradation rate for free-phase TCE. The iron-emulsion systems can be injected into a sand matrix where they become immobilized and are not moved by flowing water. It has been documented that surfactant micelles possess the ability to pull pooled TCE into emulsion droplets where degradation of TCE takes place.

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.

Optical Studies of model binary miscibility gap system

NASA Technical Reports Server (NTRS)

Lacy, L. L.; Witherow, W. K.; Facemire, B. R.; Nishioka, G. M.

1982-01-01

In order to develop a better understanding of separation processes in binary miscibility gap metal alloys, model transparent fluid systems were studied. The system selected was diethylene glycol-ethyl salicylate which has convenient working temperatures (288 to 350 K), low toxicity, and is relatively easy to purify. The system is well characterized with respect to its phase diagram, density, surface and interfacial tensions, viscosity and other pertinent physical properties. Studies of migration of the dispersed phase in a thermal gradient were performed using conventional photomicroscopy. Velocities of the droplets of the dispersed phase were measured and compared to calculated rates which included both Stokes and thermal components. A holographic microscopy system was used to study growth, coalescence, and particle motions. Sequential holograms allowed determination of particle size distribution changes with respect to time and temperature. Holographic microscopy is capable of recording particle densities up to 10 to the 7th power particles/cu cm and is able to resolve particles of the order of 2 to 3 microns in diameter throughout the entire volume of the test cell. The reconstructed hologram produces a wavefront that is identical to the original wavefront as it existed when the hologram was made. The reconstructed wavefront is analyzed using a variety of conventional optical methods.

Quantization of Simple Parametrized Systems

NASA Astrophysics Data System (ADS)

Ruffini, Giulio

1995-01-01

I study the canonical formulation and quantization of some simple parametrized systems using Dirac's formalism and the Becchi-Rouet-Stora-Tyutin (BRST) extended phase space method. These systems include the parametrized particle and minisuperspace. Using Dirac's formalism I first analyze for each case the construction of the classical reduced phase space. There are two separate features of these systems that may make this construction difficult: (a) Because of the boundary conditions used, the actions are not gauge invariant at the boundaries. (b) The constraints may have a disconnected solution space. The relativistic particle and minisuperspace have such complicated constraints, while the non-relativistic particle displays only the first feature. I first show that a change of gauge fixing is equivalent to a canonical transformation in the reduced phase space, thus resolving the problems associated with the first feature above. Then I consider the quantization of these systems using several approaches: Dirac's method, Dirac-Fock quantization, and the BRST formalism. In the cases of the relativistic particle and minisuperspace I consider first the quantization of one branch of the constraint at the time and then discuss the backgrounds in which it is possible to quantize simultaneously both branches. I motivate and define the inner product, and obtain, for example, the Klein-Gordon inner product for the relativistic case. Then I show how to construct phase space path integral representations for amplitudes in these approaches--the Batalin-Fradkin-Vilkovisky (BFV) and the Faddeev path integrals --from which one can then derive the path integrals in coordinate space--the Faddeev-Popov path integral and the geometric path integral. In particular I establish the connection between the Hilbert space representation and the range of the lapse in the path integrals. I also examine the class of paths that contribute in the path integrals and how they affect space-time covariance, concluding that it is consistent to take paths that move forward in time only when there is no electric field. The key elements in this analysis are the space-like paths and the behavior of the action under the non-trivial ( Z_2) element of the reparametrization group.

The effect of particle size on the morphology and thermodynamics of diblock copolymer/tethered-particle membranes

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

Zhang, Bo; Edwards, Brian J., E-mail: bje@utk.edu

A combination of self-consistent field theory and density functional theory was used to examine the effect of particle size on the stable, 3-dimensional equilibrium morphologies formed by diblock copolymers with a tethered nanoparticle attached either between the two blocks or at the end of one of the blocks. Particle size was varied between one and four tenths of the radius of gyration of the diblock polymer chain for neutral particles as well as those either favoring or disfavoring segments of the copolymer blocks. Phase diagrams were constructed and analyzed in terms of thermodynamic diagrams to understand the physics associated withmore » the molecular-level self-assembly processes. Typical morphologies were observed, such as lamellar, spheroidal, cylindrical, gyroidal, and perforated lamellar, with the primary concentration region of the tethered particles being influenced heavily by particle size and tethering location, strength of the particle-segment energetic interactions, chain length, and copolymer radius of gyration. The effect of the simulation box size on the observed morphology and system thermodynamics was also investigated, indicating possible effects of confinement upon the system self-assembly processes.« less

The effect of neutrally buoyant finite-size particles on channel flows in the laminar-turbulent transition regime

NASA Astrophysics Data System (ADS)

Loisel, Vincent; Abbas, Micheline; Masbernat, Olivier; Climent, Eric

2013-12-01

The presence of finite-size particles in a channel flow close to the laminar-turbulent transition is simulated with the Force Coupling Method which allows two-way coupling with the flow dynamics. Spherical particles with channel height-to-particle diameter ratio of 16 are initially randomly seeded in a fluctuating flow above the critical Reynolds number corresponding to single phase flow relaminarization. When steady-state is reached, the particle volume fraction is homogeneously distributed in the channel cross-section (ϕ ≅ 5%) except in the near-wall region where it is larger due to inertia-driven migration. Turbulence statistics (intensity of velocity fluctuations, small-scale vortical structures, wall shear stress) calculated in the fully coupled two-phase flow simulations are compared to single-phase flow data in the transition regime. It is observed that particles increase the transverse r.m.s. flow velocity fluctuations and they break down the flow coherent structures into smaller, more numerous and sustained eddies, preventing the flow to relaminarize at the single-phase critical Reynolds number. When the Reynolds number is further decreased and the suspension flow becomes laminar, the wall friction coefficient recovers the evolution of the laminar single-phase law provided that the suspension viscosity is used in the Reynolds number definition. The residual velocity fluctuations in the suspension correspond to a regime of particulate shear-induced agitation.

Extension of the HAL QCD approach to inelastic and multi-particle scatterings in lattice QCD

NASA Astrophysics Data System (ADS)

Aoki, S.

We extend the HAL QCD approach, with which potentials between two hadrons can be obtained in QCD at energy below inelastic thresholds, to inelastic and multi-particle scatterings. We first derive asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave function at large space separations for systems with more than 2 particles, in terms of the one-shell $T$-matrix consrainted by the unitarity of quantum field theories. We show that its asymptotic behavior contains phase shifts and mixing angles of $n$ particle scatterings. This property is one of the essential ingredients of the HAL QCD scheme to define "potential" from the NBS wave function in quantum field theories such as QCD. We next construct energy independent but non-local potentials above inelastic thresholds, in terms of these NBS wave functions. We demonstrate an existence of energy-independent coupled channel potentials with a non-relativistic approximation, where momenta of all particles are small compared with their own masses. Combining these two results, we can employ the HAL QCD approach also to investigate inelastic and multi-particle scatterings.

Inertial effects on the stress generation of active fluids

NASA Astrophysics Data System (ADS)

Takatori, S. C.; Brady, J. F.

2017-09-01

Suspensions of self-propelled bodies generate a unique mechanical stress owing to their motility that impacts their large-scale collective behavior. For microswimmers suspended in a fluid with negligible particle inertia, we have shown that the virial swim stress is a useful quantity to understand the rheology and nonequilibrium behaviors of active soft matter systems. For larger self-propelled organisms such as fish, it is unclear how particle inertia impacts their stress generation and collective movement. Here we analyze the effects of finite particle inertia on the mechanical pressure (or stress) generated by a suspension of self-propelled bodies. We find that swimmers of all scales generate a unique swim stress and Reynolds stress that impact their collective motion. We discover that particle inertia plays a similar role as confinement in overdamped active Brownian systems, where the reduced run length of the swimmers decreases the swim stress and affects the phase behavior. Although the swim and Reynolds stresses vary individually with the magnitude of particle inertia, the sum of the two contributions is independent of particle inertia. This points to an important concept when computing stresses in computer simulations of nonequilibrium systems: The Reynolds and the virial stresses must both be calculated to obtain the overall stress generated by a system.

Fine structure of the entanglement entropy in the O(2) model.

PubMed

Yang, Li-Ping; Liu, Yuzhi; Zou, Haiyuan; Xie, Z Y; Meurice, Y

2016-01-01

We compare two calculations of the particle density in the superfluid phase of the O(2) model with a chemical potential μ in 1+1 dimensions. The first relies on exact blocking formulas from the Tensor Renormalization Group (TRG) formulation of the transfer matrix. The second is a worm algorithm. We show that the particle number distributions obtained with the two methods agree well. We use the TRG method to calculate the thermal entropy and the entanglement entropy. We describe the particle density, the two entropies and the topology of the world lines as we increase μ to go across the superfluid phase between the first two Mott insulating phases. For a sufficiently large temporal size, this process reveals an interesting fine structure: the average particle number and the winding number of most of the world lines in the Euclidean time direction increase by one unit at a time. At each step, the thermal entropy develops a peak and the entanglement entropy increases until we reach half-filling and then decreases in a way that approximately mirrors the ascent. This suggests an approximate fermionic picture.

Janus and Strawberry-like Particles from Azo Molecular Glass and Polydimethylsiloxane Oligomer.

PubMed

Hsu, Chungen; Du, Yi; Wang, Xiaogong

2017-10-10

This study investigated Janus and strawberry-like particles composed of azo molecular glass and polydimethylsiloxane (PDMS) oligomer, focusing on controllable fabrication and formation mechanism of these unique structures and morphologies. Two materials, the azo molecular glass (IA-Chol) and PDMS oligomer (H 2 pdca-PDMS), were prepared for this purpose. The Janus and strawberry-like particles were obtained from the droplets of a dichloromethane (DCM) solution containing both IA-Chol and H 2 pdca-PDMS, dispersed in water and stabilized by poly(vinyl alcohol). Results show that the structured particles are formed through segregation between the two components induced by gradual evaporation of DCM from the droplets, which is controlled by adding ethylene glycol (EG) into the above dispersion. Without the addition of EG, Janus particles are formed through the full segregation of the two components in the droplets. On the other hand, with the existence of EG in the dispersion, strawberry-like particles instead of Janus particles are formed in the phase separation process. The diffusion of EG molecules from the dispersion medium into the droplets causes the PDMS phase deswelling in the interfacial area due to the poor solvent effect. Caused by the surface coagulation, the coalescence of the isolated IA-Chol domains is jammed in the shell region, which results in the formation of the strawberry-like particles. For the particles separated from the dispersion and dried, the PDMS oligomer phase of the Janus particles can adhere and spread on the substrate to form unique "particle-on-pad" morphology due to its low surface energy and swelling ability, while the strawberry-like particles exist as "standstill" objects on the substrates. Upon irradiation with a linearly polarized laser beam at 488 nm, the azo molecular glass parts in the particles are significantly deformed along the light polarization direction, which show unique and distinct morphologies for these two types of the particles.

Single Aerosol Particle Studies Using Optical Trapping Raman And Cavity Ringdown Spectroscopy

NASA Astrophysics Data System (ADS)

Gong, Z.; Wang, C.; Pan, Y. L.; Videen, G.

2017-12-01

Due to the physical and chemical complexity of aerosol particles and the interdisciplinary nature of aerosol science that involves physics, chemistry, and biology, our knowledge of aerosol particles is rather incomplete; our current understanding of aerosol particles is limited by averaged (over size, composition, shape, and orientation) and/or ensemble (over time, size, and multi-particles) measurements. Physically, single aerosol particles are the fundamental units of any large aerosol ensembles. Chemically, single aerosol particles carry individual chemical components (properties and constituents) in particle ensemble processes. Therefore, the study of single aerosol particles can bridge the gap between aerosol ensembles and bulk/surface properties and provide a hierarchical progression from a simple benchmark single-component system to a mixed-phase multicomponent system. A single aerosol particle can be an effective reactor to study heterogeneous surface chemistry in multiple phases. Latest technological advances provide exciting new opportunities to study single aerosol particles and to further develop single aerosol particle instrumentation. We present updates on our recent studies of single aerosol particles optically trapped in air using the optical-trapping Raman and cavity ringdown spectroscopy.

M$^3$: A New Muon Missing Momentum Experiment to Probe $$(g-2)_{\\mu}$$ and Dark Matter at Fermilab

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

Kahn, Yonatan; Krnjaic, Gordan; Tran, Nhan

New light, weakly-coupled particles are commonly invoked to address the persistentmore » $$\\sim 4\\sigma$$ anomaly in $$(g-2)_\\mu$$ and serve as mediators between dark and visible matter. If such particles couple predominantly to heavier generations and decay invisibly, much of their best-motivated parameter space is inaccessible with existing experimental techniques. In this paper, we present a new fixed-target, missing-momentum search strategy to probe invisibly decaying particles that couple preferentially to muons. In our setup, a relativistic muon beam impinges on a thick active target. The signal consists of events in which a muon loses a large fraction of its incident momentum inside the target without initiating any detectable electromagnetic or hadronic activity in downstream veto systems. We propose a two-phase experiment, M$^3$ (Muon Missing Momentum), based at Fermilab. Phase 1 with $$\\sim 10^{10}$$ muons on target can test the remaining parameter space for which light invisibly-decaying particles can resolve the $$(g-2)_\\mu$$ anomaly, while Phase 2 with $$\\sim 10^{13}$$ muons on target can test much of the predictive parameter space over which sub-GeV dark matter achieves freeze-out via muon-philic forces, including gauged $$U(1)_{L_\\mu - L_\\tau}$$.« less

Modeling Physical Processes at the Nanoscale—Insight into Self-Organization of Small Systems (abstract)

NASA Astrophysics Data System (ADS)

Proykova, Ana

2009-04-01

Essential contributions have been made in the field of finite-size systems of ingredients interacting with potentials of various ranges. Theoretical simulations have revealed peculiar size effects on stability, ground state structure, phases, and phase transformation of systems confined in space and time. Models developed in the field of pure physics (atomic and molecular clusters) have been extended and successfully transferred to finite-size systems that seem very different—small-scale financial markets, autoimmune reactions, and social group reactions to advertisements. The models show that small-scale markets diverge unexpectedly fast as a result of small fluctuations; autoimmune reactions are sequences of two discontinuous phase transitions; and social groups possess critical behavior (social percolation) under the influence of an external field (advertisement). Some predicted size-dependent properties have been experimentally observed. These findings lead to the hypothesis that restrictions on an object's size determine the object's total internal (configuration) and external (environmental) interactions. Since phases are emergent phenomena produced by self-organization of a large number of particles, the occurrence of a phase in a system containing a small number of ingredients is remarkable.

Characterizing Time Irreversibility in Disordered Fermionic Systems by the Effect of Local Perturbations

NASA Astrophysics Data System (ADS)

Vardhan, Shreya; De Tomasi, Giuseppe; Heyl, Markus; Heller, Eric J.; Pollmann, Frank

2017-07-01

We study the effects of local perturbations on the dynamics of disordered fermionic systems in order to characterize time irreversibility. We focus on three different systems: the noninteracting Anderson and Aubry-André-Harper (AAH) models and the interacting spinless disordered t -V chain. First, we consider the effect on the full many-body wave functions by measuring the Loschmidt echo (LE). We show that in the extended or ergodic phase the LE decays exponentially fast with time, while in the localized phase the decay is algebraic. We demonstrate that the exponent of the decay of the LE in the localized phase diverges proportionally to the single-particle localization length as we approach the metal-insulator transition in the AAH model. Second, we probe different phases of disordered systems by studying the time expectation value of local observables evolved with two Hamiltonians that differ by a spatially local perturbation. Remarkably, we find that many-body localized systems could lose memory of the initial state in the long-time limit, in contrast to the noninteracting localized phase where some memory is always preserved.

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions

NASA Astrophysics Data System (ADS)

Barré, J.; Carrillo, J. A.; Degond, P.; Peurichard, D.; Zatorska, E.

2018-02-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Particle Interactions Mediated by Dynamical Networks: Assessment of Macroscopic Descriptions.

PubMed

Barré, J; Carrillo, J A; Degond, P; Peurichard, D; Zatorska, E

2018-01-01

We provide a numerical study of the macroscopic model of Barré et al. (Multiscale Model Simul, 2017, to appear) derived from an agent-based model for a system of particles interacting through a dynamical network of links. Assuming that the network remodeling process is very fast, the macroscopic model takes the form of a single aggregation-diffusion equation for the density of particles. The theoretical study of the macroscopic model gives precise criteria for the phase transitions of the steady states, and in the one-dimensional case, we show numerically that the stationary solutions of the microscopic model undergo the same phase transitions and bifurcation types as the macroscopic model. In the two-dimensional case, we show that the numerical simulations of the macroscopic model are in excellent agreement with the predicted theoretical values. This study provides a partial validation of the formal derivation of the macroscopic model from a microscopic formulation and shows that the former is a consistent approximation of an underlying particle dynamics, making it a powerful tool for the modeling of dynamical networks at a large scale.

Zak phase and band inversion in dimerized one-dimensional locally resonant metamaterials

NASA Astrophysics Data System (ADS)

Zhu, Weiwei; Ding, Ya-qiong; Ren, Jie; Sun, Yong; Li, Yunhui; Jiang, Haitao; Chen, Hong

2018-05-01

The Zak phase, which refers to Berry's phase picked up by a particle moving across the Brillouin zone, characterizes the topological properties of Bloch bands in a one-dimensional periodic system. Here the Zak phase in dimerized one-dimensional locally resonant metamaterials is investigated. It is found that there are some singular points in the bulk band across which the Bloch states contribute π to the Zak phase, whereas in the rest of the band the contribution is nearly zero. These singular points associated with zero reflection are caused by two different mechanisms: the dimerization-independent antiresonance of each branch and the dimerization-dependent destructive interference in multiple backscattering. The structure undergoes a topological phase-transition point in the band structure where the band inverts, and the Zak phase, which is determined by the numbers of singular points in the bulk band, changes following a shift in dimerization parameter. Finally, the interface state between two dimerized metamaterial structures with different topological properties in the first band gap is demonstrated experimentally. The quasi-one-dimensional configuration of the system allows one to explore topology-inspired new methods and applications on the subwavelength scale.

Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: A review

DOE PAGES

Reichhardt, Charles; Olson Reichhardt, Cynthia Jane

2016-12-20

Here, we review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic andmore » plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.« less

Depinning and nonequilibrium dynamic phases of particle assemblies driven over random and ordered substrates: a review

NASA Astrophysics Data System (ADS)

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

2017-02-01

We review the depinning and nonequilibrium phases of collectively interacting particle systems driven over random or periodic substrates. This type of system is relevant to vortices in type-II superconductors, sliding charge density waves, electron crystals, colloids, stripe and pattern forming systems, and skyrmions, and could also have connections to jamming, glassy behaviors, and active matter. These systems are also ideal for exploring the broader issues of characterizing transient and steady state nonequilibrium flow phases as well as nonequilibrium phase transitions between distinct dynamical phases, analogous to phase transitions between different equilibrium states. We discuss the differences between elastic and plastic depinning on random substrates and the different types of nonequilibrium phases which are associated with specific features in the velocity-force curves, fluctuation spectra, scaling relations, and local or global particle ordering. We describe how these quantities can change depending on the dimension, anisotropy, disorder strength, and the presence of hysteresis. Within the moving phase we discuss how there can be a transition from a liquid-like state to dynamically ordered moving crystal, smectic, or nematic states. Systems with periodic or quasiperiodic substrates can have multiple nonequilibrium second or first order transitions in the moving state between chaotic and coherent phases, and can exhibit hysteresis. We also discuss systems with competing repulsive and attractive interactions, which undergo dynamical transitions into stripes and other complex morphologies when driven over random substrates. Throughout this work we highlight open issues and future directions such as absorbing phase transitions, nonequilibrium work relations, inertia, the role of non-dissipative dynamics such as Magnus effects, and how these results could be extended to the broader issues of plasticity in crystals, amorphous solids, and jamming phenomena.

High-Performance Reactive Particle Tracking with Adaptive Representation

NASA Astrophysics Data System (ADS)

Schmidt, M.; Benson, D. A.; Pankavich, S.

2017-12-01

Lagrangian particle tracking algorithms have been shown to be effective tools for modeling chemical reactions in imperfectly-mixed media. One disadvantage of these algorithms is the possible need to employ large numbers of particles in simulations, depending on the concentration covariance structure, and these large particle numbers can lead to long computation times. Two distinct approaches have recently arisen to overcome this. One method employs spatial kernels that are related to a specified, reduced particle number; however, over-wide kernels, dictated by a very low particle number, lead to an excess of reaction calculations and cause a reduction in performance. Another formulation involves hybrid particles that carry multiple species of reactant, wherein each particle is treated as its own well-mixed volume, obviating the need for large numbers of particles for each species but still requiring a fixed number of hybrid particles. Here, we combine these two approaches and demonstrate an improved method for simulating a given system in a computationally efficient manner. Additionally, the independent nature of transport and reaction calculations in this approach allows for significant gains via parallelization in an MPI or OpenMP context. For benchmarking, we choose a CO2 injection simulation with dissolution and precipitation of calcite and dolomite, allowing us to derive the proper treatment of interaction between solid and aqueous phases.

Exhaust plume impingement of chemically reacting gas-particle flows

NASA Technical Reports Server (NTRS)

Smith, S. D.; Penny, M. M.; Greenwood, T. F.; Roberts, B. B.

1975-01-01

A series of computer codes has been developed to predict gas-particle flows and resulting impingement forces, moments and heating rates to surfaces immersed in the flow. The gas-particle flow solution is coupled via heat transfer and drag between the phases with chemical effects included in the gas phase. The flow solution and impingement calculations are discussed. Analytical results are compared with test data obtained to evaluate gas-particle effects on the Space Shuttle thermal protection system during the staging maneuver.

Long-wavelength instabilities in a system of interacting active particles

NASA Astrophysics Data System (ADS)

Fazli, Zahra; Najafi, Ali

2018-02-01

Based on a microscopic model, we develop a continuum description for a suspension of microscopic self-propelled particles. With this continuum description we study the role of long-range interactions in destabilizing macroscopic ordered phases that are developed by short-range interactions. Long-wavelength fluctuations can destabilize both isotropic and symmetry-broken polar phases in a suspension of dipolar particles. The instabilities in a suspension of pullers (pushers) arise from splay (bend) fluctuations. Such instabilities are not seen in a suspension of quadrupolar particles.

Phase diagrams of Janus fluids with up-down constrained orientations

NASA Astrophysics Data System (ADS)

Fantoni, Riccardo; Giacometti, Achille; Maestre, Miguel Ángel G.; Santos, Andrés

2013-11-01

A class of binary mixtures of Janus fluids formed by colloidal spheres with the hydrophobic hemispheres constrained to point either up or down are studied by means of Gibbs ensemble Monte Carlo simulations and simple analytical approximations. These fluids can be experimentally realized by the application of an external static electrical field. The gas-liquid and demixing phase transitions in five specific models with different patch-patch affinities are analyzed. It is found that a gas-liquid transition is present in all the models, even if only one of the four possible patch-patch interactions is attractive. Moreover, provided the attraction between like particles is stronger than between unlike particles, the system demixes into two subsystems with different composition at sufficiently low temperatures and high densities.

Anisotropic Brownian motion in ordered phases of DNA fragments.

PubMed

Dobrindt, J; Rodrigo Teixeira da Silva, E; Alves, C; Oliveira, C L P; Nallet, F; Andreoli de Oliveira, E; Navailles, L

2012-01-01

Using Fluorescence Recovery After Photobleaching, we investigate the Brownian motion of DNA rod-like fragments in two distinct anisotropic phases with a local nematic symmetry. The height of the measurement volume ensures the averaging of the anisotropy of the in-plane diffusive motion parallel or perpendicular to the local nematic director in aligned domains. Still, as shown in using a model specifically designed to handle such a situation and predicting a non-Gaussian shape for the bleached spot as fluorescence recovery proceeds, the two distinct diffusion coefficients of the DNA particles can be retrieved from data analysis. In the first system investigated (a ternary DNA-lipid lamellar complex), the magnitude and anisotropy of the diffusion coefficient of the DNA fragments confined by the lipid bilayers are obtained for the first time. In the second, binary DNA-solvent system, the magnitude of the diffusion coefficient is found to decrease markedly as DNA concentration is increased from isotropic to cholesteric phase. In addition, the diffusion coefficient anisotropy measured within cholesteric domains in the phase coexistence region increases with concentration, and eventually reaches a high value in the cholesteric phase.

Manipulating semiconductor colloidal stability through doping.

PubMed

Fleharty, Mark E; van Swol, Frank; Petsev, Dimiter N

2014-10-10

The interface between a doped semiconductor material and electrolyte solution is of considerable fundamental interest, and is relevant to systems of practical importance. Both adjacent domains contain mobile charges, which respond to potential variations. This is exploited to design electronic and optoelectronic sensors, and other enabling semiconductor colloidal materials. We show that the charge mobility in both phases leads to a new type of interaction between semiconductor colloids suspended in aqueous electrolyte solutions. This interaction is due to the electrostatic response of the semiconductor interior to disturbances in the external field upon the approach of two particles. The electrostatic repulsion between two charged colloids is reduced from the one governed by the charged groups present at the particles surfaces. This type of interaction is unique to semiconductor particles and may have a substantial effect on the suspension dynamics and stability.

Droplet microfluidics with a nanoemulsion continuous phase.

PubMed

Gu, Tonghan; Yeap, Eunice W Q; Somasundar, Ambika; Chen, Ran; Hatton, T Alan; Khan, Saif A

2016-07-05

We present the first study of a novel, generalizable method that uses a water-in-oil nanoemulsion as the continuous phase to generate uniform aqueous micro-droplets in a capillary-based microfluidic system. We first study the droplet generation mechanism in this system and compare it to the more conventional case where a simple oil/solvent (with surfactant) is used as the continuous phase. Next, we present two versatile methods - adding demulsifying chemicals and heat treatment - to allow active online chemical interaction between the continuous and dispersed phases. These methods allow each generated micro-droplet to act as a well-mixed micro-reactor with walls that are 'permeable' to the nanoemulsion droplets and their contents. Finally, we demonstrate an application of this system in the fabrication of uniform hydrogel (alginate) micro-beads with control over particle properties such as size and swelling. Our work expands the toolbox of droplet-based microfluidics, enabling new opportunities and applications involving active colloidal continuous phases carrying chemical payloads, both in advanced materials synthesis and droplet-based screening and diagnostic methods.

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

NASA Technical Reports Server (NTRS)

Egolfopoulos, Fokion N.; Campbell, Charles S.

1999-01-01

A detailed numerical study was conducted on the dynamics and thermal response of inert, spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport, For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Dynamics and Structure of Dusty Reacting Flows: Inert Particles in Strained, Laminar, Premixed Flames

NASA Technical Reports Server (NTRS)

Egolfopoulos, Fokion N.; Campbell, Charles S.; Wu, Ming-Shin (Technical Monitor)

1999-01-01

A detailed numerical study was conducted on the dynamics and thermal response of inert spherical particles in strained, laminar, premixed hydrogen/air flames. The modeling included the solution of the steady conservation equations for both the gas and particle phases along and around the stagnation streamline of an opposed-jet configuration, and the use of detailed descriptions of chemical kinetics and molecular transport. For the gas phase, the equations of mass, momentum, energy, and species are considered, while for the particle phase, the model is based on conservation equations of the particle momentum balance in the axial and radial direction, the particle number density, and the particle thermal energy equation. The particle momentum equation includes the forces as induced by drag, thermophoresis, and gravity. The particle thermal energy equation includes the convective/conductive heat exchange between the two phases, as well as radiation emission and absorption by the particle. A one-point continuation method is also included in the code that allows for the description of turning points, typical of ignition and extinction behavior. As expected, results showed that the particle velocity can be substantially different than the gas phase velocity, especially in the presence of large temperature gradients and large strain rates. Large particles were also found to cross the gas stagnation plane, stagnate, and eventually reverse as a result of the opposing gas phase velocity. It was also shown that the particle number density varies substantially throughout the flowfield, as a result of the straining of the flow and the thermal expansion. Finally, for increased values of the particle number density, substantial flame cooling to extinction states and modification of the gas phase fluid mechanics were observed. As also expected, the effect of gravity was shown to be important for low convective velocities and heavy particles. Under such conditions, simulations indicate that the magnitude and direction of the gravitational force can substantially affect the profiles of the particle velocity, number density, mass flux, and temperature.

Particle dynamics and particle-cell interaction in microfluidic systems

NASA Astrophysics Data System (ADS)

Stamm, Matthew T.

Particle-laden flow in a microchannel resulting in aggregation of microparticles was investigated to determine the dependence of the cluster growth rate on the following parameters: suspension void fraction, shear strain rate, and channel-height to particle-diameter ratio. The growth rate of an average cluster was found to increase linearly with suspension void fraction, and to obey a power-law relationships with shear strain rate as S 0.9 and channel-height to particle-diameter ratio as (h/d )--3.5. Ceramic liposomal nanoparticles and silica microparticles were functionalized with antibodies that act as targeting ligands. The bio-functionality and physical integrity of the cerasomes were characterized. Surface functionalization allows cerasomes to deliver drugs with selectivity and specificity that is not possible using standard liposomes. The functionalized particle-target cell binding process was characterized using BT-20 breast cancer cells. Two microfluidic systems were used; one with both species in suspension, the other with cells immobilized inside a microchannel and particle suspension as the mobile phase. Effects of incubation time, particle concentration, and shear strain rate on particle-cell binding were investigated. With both species in suspension, the particle-cell binding process was found to be reasonably well-described by a first-order model. Particle desorption and cellular loss of binding affinity in time were found to be negligible; cell-particle-cell interaction was identified as the limiting mechanism in particle-cell binding. Findings suggest that separation of a bound particle from a cell may be detrimental to cellular binding affinity. Cell-particle-cell interactions were prevented by immobilizing cells inside a microchannel. The initial stage of particle-cell binding was investigated and was again found to be reasonably well-described by a first-order model. For both systems, the time constant was found to be inversely proportional to particle concentration. The second system revealed the time constant to obey a power-law relationship with shear strain rate as tau∝ S-.37+/-.06. Under appropriate scaling, the behavior displayed in both systems is well-described by the same exponential curve. Identification of the appropriate scaling parameters allows for extrapolation and requires only two empirical values. This could provide a major head-start in any dosage optimization studies.

A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.

Reduction of the Nonlinear Phase Shift Induced by Stimulated Brillouin Scattering for Bi-Directional Pumping Configuration System Using Particle Swarm Optimization Algorithm

NASA Astrophysics Data System (ADS)

Al-Asadi, H. A.

2013-02-01

We present a theoretical analysis of an additional nonlinear phase shift of backward Stokes wave based on stimulated Brillouin scattering in the system with a bi-directional pumping scheme. We optimize three parameters of the system: the numerical aperture, the optical loss and the pumping wavelength to minimize an additional nonlinear phase shift of backward Stokes waves due to stimulated Brillouin scattering. The optimization is performed with various Brillouin pump powers and the optical reflectivity values are based on the modern, global evolutionary computation algorithm, particle swarm optimization. It is shown that the additional nonlinear phase shift of backward Stokes wave varies with different optical fiber lengths, and can be minimized to less than 0.07 rad according to the particle swarm optimization algorithm for 5 km. The bi-directional pumping configuration system is shown to be efficient when it is possible to transmit the power output to advanced when frequency detuning is negative and delayed when it is positive, with the optimum values of the three parameters to achieve the reduction of an additional nonlinear phase shift.

Length-Scale-Dependent Phase Transformation of LiFePO4 : An In situ and Operando Study Using Micro-Raman Spectroscopy and XRD.

PubMed

Siddique, N A; Salehi, Amir; Wei, Zi; Liu, Dong; Sajjad, Syed D; Liu, Fuqiang

2015-08-03

The charge and discharge of lithium ion batteries are often accompanied by electrochemically driven phase-transformation processes. In this work, two in situ and operando methods, that is, micro-Raman spectroscopy and X-ray diffraction (XRD), have been combined to study the phase-transformation process in LiFePO4 at two distinct length scales, namely, particle-level scale (∼1 μm) and macroscopic scale (∼several cm). In situ Raman studies revealed a discrete mode of phase transformation at the particle level. Besides, the preferred electrochemical transport network, particularly the carbon content, was found to govern the sequence of phase transformation among particles. In contrast, at the macroscopic level, studies conducted at four different discharge rates showed a continuous but delayed phase transformation. These findings uncovered the intricate phase transformation in LiFePO4 and potentially offer valuable insights into optimizing the length-scale-dependent properties of battery materials. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Glass/Jamming Transition in Colloidal Aggregation

NASA Technical Reports Server (NTRS)

Segre, Philip N.; Prasad, Vikram; Weitz, David A.; Rose, M. Franklin (Technical Monitor)

2000-01-01

We have studied colloidal aggregation in a model colloid plus polymer system with short-range attractive interactions. By varying the colloid concentration and the strength of the attraction, we explored regions where the equilibrium phase is expected to consist of colloidal crystallites in coexistance with colloidal gas (i.e. monomers). This occurs for moderate values of the potential depth, U approximately equal to 2-5 kT. Crystallization was not always observed. Rather, over an extended sub-region two new metastable phases appear, one fluid-like and one solid-like. These were examined in detail with light scattering and microscopy techniques. Both phases consist of a near uniform distribution of small irregular shaped clusters of colloidal particles. The dynamical and structural characteristics of the ergodic-nonergodic transition between the two phases share much in common with the colloidal hard sphere glass transition.

Development of an automated sampling-analysis system for simultaneous measurement of reactive oxygen species (ROS) in gas and particle phases: GAC-ROS

NASA Astrophysics Data System (ADS)

Huang, Wei; Zhang, Yuanxun; Zhang, Yang; Zeng, Limin; Dong, Huabin; Huo, Peng; Fang, Dongqing; Schauer, James J.

2016-06-01

A novel online system, GAC-ROS, for simultaneous measurement of reactive oxygen species (ROS) in both gas and particle phases was developed based on 2‧,7‧-dichlorofluorescin (DCFH) assay to provide fast sampling and analysis of atmospheric ROS. The GAC-ROS, composed of a Gas and Aerosol Collector (GAC), a series of reaction and transportation systems, and a fluorescence detector, was tested for instrumental performance in laboratory. Results showed good performance with a favorable R2 value for the calibration curve (above 0.998), high penetration efficiencies of ROS (above 99.5%), and low detection limits (gas-phase ROS: 0.16 nmol H2O2 m-3; particle-phase ROS: 0.12 nmol H2O2 m-3). Laboratorial comparison between online and offline methods for particle-bound ROS showed significant loss of ROS due to the relatively long time off-line treatment. Field observations in Beijing found that concentrations of ROS in winter time were significantly higher than those observed in spring. Only a few weak positive correlations were found between ROS and some air pollutants, which reflects the complexities of ROS generation and transformation in atmosphere. This study was the first to simultaneously obtain concentrations of gas and particle-phase ROS using an online method. Consequently, it provides a powerful tool to characterize the oxidizing capacity of the atmosphere and the sources of the oxidizing capacity.

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

Amitava Sarkar; James K. Neathery; Burtron H. Davis

A fundamental filtration study was started to investigate the separation of Fischer-Tropsch Synthesis (FTS) liquids from iron-based catalyst particles. Slurry-phase FTS in slurry bubble column reactor systems is the preferred mode of operation since the reaction is highly exothermic. Consequently, heavy wax products in one approach may be separated from catalyst particles before being removed from the reactor system. Achieving an efficient wax product separation from iron-based catalysts is one of the most challenging technical problems associated with slurry-phase iron-based FTS and is a key factor for optimizing operating costs. The separation problem is further compounded by attrition of ironmore » catalyst particles and the formation of ultra-fine particles.« less

Multiphase chemistry in a microphysical radiation fog model—A numerical study

NASA Astrophysics Data System (ADS)

Bott, Andreas; Carmichael, Gregory R.

A microphysical radiation fog model is coupled with a detailed chemistry module to simulate chemical reactions in the gas phase and in fog water during a radiation fog event. In the chemical part of the model the microphysical particle spectrum is subdivided into three size classes corresponding to non-activated aerosol particles, small and large fog droplets. Chemical reactions in the liquid phase are separately calculated in the small and in the large droplet size class. The impact of the chemical constitution of activated aerosols on fogwater chemistry is considered in the model simulations. The mass transfer of chemical species between the gas phase and the two liquid phases is treated in detail by solving the corresponding coupled differential equation system. The model also accounts for concentration changes of gas-phase and aqueous-phase chemical species which are induced by turbulence, gravitational settling and by evaporation/condensation processes. Numerical results demonstrate that fogwater chemistry is strongly controlled by dynamic processes, i.e. the vertical growth of the fog, turbulent mixing processes and the gravitational settling of the particles. The concentrations of aqueous-phase chemical species are different in the two droplet size classes. Reactands with lower water solubility are mainly found in the large droplet size class because the characteristic time for their mass transfer from the gas phase into the liquid phase is essentially longer than the characteristic time for the formation of large fog droplets. Species with high water solubility are rapidly transferred into the small fog droplets and are then washed out by wet deposition before these particles grow further to form large droplets. Thus, the concentrations of the major ions (NO 3-, NH 4+) are much higher in small than in large droplets, yielding distinctly lower pH values of the small particles. In the present study the reaction of sulfur with H 2O 2 and the Fe(III)-catalysed autoxidation of S(IV) are the major S(VI) producing mechanisms in fog water. Most of the time the sulfur oxidation rates are higher in the large than in the small droplets. Fogwater deposition by gravitational settling occurs mainly in the large droplet size class. However, since in the small droplets the concentrations of chemical species with very good water solubility are relatively high, in both droplet size classes the total wet deposition of these reactands is of the same order of magnitude.

Hydrodynamic effects on phase transition in active matter

NASA Astrophysics Data System (ADS)

Gidituri, Harinadha; Akella, V. S.; Panchagnula, Mahesh; Vedantam, Srikanth; Multiphase flow physics lab Team

2017-11-01

Organized motion of active (self-propelled) objects are ubiquitous in nature. The objective of this study to investigate the effect of hydrodynamics on the coherent structures in active and passive particle mixtures. We use a mesoscopic method Dissipative Particle Dynamics (DPD). The system shows three different states viz. meso-turbulent (disordered state), polar flock and vortical (ordered state) for different values of activity and volume fraction of active particles. From our numerical simulations we construct a phase diagram between activity co-efficient, volume fraction and viscosity of the passive fluid. Transition from vortical to polar is triggered by increasing the viscosity of passive fluid which causes strong short-range hydrodynamic interactions. However, as the viscosity of the fluid decreases, both vortical and meso-turbulent states transition to polar flock phase. We also calculated the diffusion co-efficients via mean square displacement (MSD) for passive and active particles. We observe ballistic and diffusive regimes in the present system.

GTA (ground test accelerator) Phase 1: Baseline design report

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

Not Available

1986-08-01

The national Neutral Particle Beam (NPB) program has two objectives: to provide the necessary basis for a discriminator/weapon decision by 1992, and to develop the technology in stages that lead ultimately to a neutral particle beam weapon. The ground test accelerator (GTA) is the test bed that permits the advancement of the state-of-the-art under experimental conditions in an integrated automated system mode. An intermediate goal of the GTA program is to support the Integrated Space Experiments, while the ultimate goal is to support the 1992 decision. The GTA system and each of its major subsystems are described, and project schedulesmore » and resource requirements are provided. (LEW)« less

Light scattering by lunar-like particle size distributions

NASA Technical Reports Server (NTRS)

Goguen, Jay D.

1991-01-01

A fundamental input to models of light scattering from planetary regoliths is the mean phase function of the regolith particles. Using the known size distribution for typical lunar soils, the mean phase function and mean linear polarization for a regolith volume element of spherical particles of any composition were calculated from Mie theory. The two contour plots given here summarize the changes in the mean phase function and linear polarization with changes in the real part of the complex index of refraction, n - ik, for k equals 0.01, the visible wavelength 0.55 micrometers, and the particle size distribution of the typical mature lunar soil 72141. A second figure is a similar index-phase surface, except with k equals 0.1. The index-phase surfaces from this survey are a first order description of scattering by lunar-like regoliths of spherical particles of arbitrary composition. They form the basis of functions that span a large range of parameter-space.

Local Cloudiness Development Forecast Based on Simulation of Solid Phase Formation Processes in the Atmosphere

NASA Astrophysics Data System (ADS)

Barodka, Siarhei; Kliutko, Yauhenia; Krasouski, Alexander; Papko, Iryna; Svetashev, Alexander; Turishev, Leonid

2013-04-01

Nowadays numerical simulation of thundercloud formation processes is of great interest as an actual problem from the practical point of view. Thunderclouds significantly affect airplane flights, and mesoscale weather forecast has much to contribute to facilitate the aviation forecast procedures. An accurate forecast can certainly help to avoid aviation accidents due to weather conditions. The present study focuses on modelling of the convective clouds development and thunder clouds detection on the basis of mesoscale atmospheric processes simulation, aiming at significantly improving the aeronautical forecast. In the analysis, the primary weather radar information has been used to be further adapted for mesoscale forecast systems. Two types of domains have been selected for modelling: an internal one (with radius of 8 km), and an external one (with radius of 300 km). The internal domain has been directly applied to study the local clouds development, and the external domain data has been treated as initial and final conditions for cloud cover formation. The domain height has been chosen according to the civil aviation forecast data (i.e. not exceeding 14 km). Simulations of weather conditions and local clouds development have been made within selected domains with the WRF modelling system. In several cases, thunderclouds are detected within the convective clouds. To specify the given category of clouds, we employ a simulation technique of solid phase formation processes in the atmosphere. Based on modelling results, we construct vertical profiles indicating the amount of solid phase in the atmosphere. Furthermore, we obtain profiles demonstrating the amount of ice particles and large particles (hailstones). While simulating the processes of solid phase formation, we investigate vertical and horizontal air flows. Consequently, we attempt to separate the total amount of solid phase into categories of small ice particles, large ice particles and hailstones. Also, we strive to reveal and differentiate the basic atmospheric parameters of sublimation and coagulation processes, aiming to predict ice particles precipitation. To analyze modelling results we apply the VAPOR three-dimensional visualization package. For the chosen domains, a diurnal synoptic situation has been simulated, including rain, sleet, ice pellets, and hail. As a result, we have obtained a large scope of data describing various atmospheric parameters: cloud cover, major wind components, basic levels of isobaric surfaces, and precipitation rate. Based on this data, we show both distinction in precipitation formation due to various heights and its differentiation of the ice particles. The relation between particle rise in the atmosphere and its size is analyzed: at 8-10 km altitude large ice particles, resulted from coagulation, dominate, while at 6-7 km altitude one can find snow and small ice particles formed by condensation growth. Also, mechanical trajectories of solid precipitation particles for various ice formation processes have been calculated.

Effect of vision angle on the phase transition in flocking behavior of animal groups

NASA Astrophysics Data System (ADS)

Nguyen, P. The; Lee, Sang-Hee; Ngo, V. Thanh

2015-09-01

The nature of the phase transition in a system of self-propelling particles has been extensively studied during the past few decades. A theoretical model was proposed by [T. Vicsek et al. Phys. Rev. Lett. 75, 1226 (1995), 10.1103/PhysRevLett.75.1226] with a simple rule for updating the direction of motion of each particle. Based on the model of Vicsek et al., in this paper, we consider a group of animals as particles moving freely in a two-dimensional space. Due to the fact that the viewable area of animals depends on the species, we consider the motion of each individual within an angle φ =ϕ /2 (ϕ is called the angle of view) of a circle centered at its position of radius R . We obtained a phase diagram in the space (φ ,ηc ) with ηc being the critical noise. We show that the phase transition exists only in the case of a wide view's angle φ ≥0.5 π . The flocking of animals is a universal behavior of the species of prey but not the one of the predator. Our simulation results are in good agreement with experimental observation [C. Beccoa et al., Physica A 367, 487 (2006), 10.1016/j.physa.2005.11.041].

Uncertainty quantification tools for multiphase gas-solid flow simulations using MFIX

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

Fox, Rodney O.; Passalacqua, Alberto

2016-02-01

Computational fluid dynamics (CFD) has been widely studied and used in the scientific community and in the industry. Various models were proposed to solve problems in different areas. However, all models deviate from reality. Uncertainty quantification (UQ) process evaluates the overall uncertainties associated with the prediction of quantities of interest. In particular it studies the propagation of input uncertainties to the outputs of the models so that confidence intervals can be provided for the simulation results. In the present work, a non-intrusive quadrature-based uncertainty quantification (QBUQ) approach is proposed. The probability distribution function (PDF) of the system response can bemore » then reconstructed using extended quadrature method of moments (EQMOM) and extended conditional quadrature method of moments (ECQMOM). The report first explains the theory of QBUQ approach, including methods to generate samples for problems with single or multiple uncertain input parameters, low order statistics, and required number of samples. Then methods for univariate PDF reconstruction (EQMOM) and multivariate PDF reconstruction (ECQMOM) are explained. The implementation of QBUQ approach into the open-source CFD code MFIX is discussed next. At last, QBUQ approach is demonstrated in several applications. The method is first applied to two examples: a developing flow in a channel with uncertain viscosity, and an oblique shock problem with uncertain upstream Mach number. The error in the prediction of the moment response is studied as a function of the number of samples, and the accuracy of the moments required to reconstruct the PDF of the system response is discussed. The QBUQ approach is then demonstrated by considering a bubbling fluidized bed as example application. The mean particle size is assumed to be the uncertain input parameter. The system is simulated with a standard two-fluid model with kinetic theory closures for the particulate phase implemented into MFIX. The effect of uncertainty on the disperse-phase volume fraction, on the phase velocities and on the pressure drop inside the fluidized bed are examined, and the reconstructed PDFs are provided for the three quantities studied. Then the approach is applied to a bubbling fluidized bed with two uncertain parameters, particle-particle and particle-wall restitution coefficients. Contour plots of the mean and standard deviation of solid volume fraction, solid phase velocities and gas pressure are provided. The PDFs of the response are reconstructed using EQMOM with appropriate kernel density functions. The simulation results are compared to experimental data provided by the 2013 NETL small-scale challenge problem. Lastly, the proposed procedure is demonstrated by considering a riser of a circulating fluidized bed as an example application. The mean particle size is considered to be the uncertain input parameter. Contour plots of the mean and standard deviation of solid volume fraction, solid phase velocities, and granular temperature are provided. Mean values and confidence intervals of the quantities of interest are compared to the experiment results. The univariate and bivariate PDF reconstructions of the system response are performed using EQMOM and ECQMOM.« less

Impact of subgrid fluid turbulence on inertial particles subject to gravity

NASA Astrophysics Data System (ADS)

Rosa, Bogdan; Pozorski, Jacek

2017-07-01

Two-phase turbulent flows with the dispersed phase in the form of small, spherical particles are increasingly often computed with the large-eddy simulation (LES) of the carrier fluid phase, coupled to the Lagrangian tracking of particles. To enable further model development for LES with inertial particles subject to gravity, we consider direct numerical simulations of homogeneous isotropic turbulence with a large-scale forcing. Simulation results, both without filtering and in the a priori LES setting, are reported and discussed. A full (i.e. a posteriori) LES is also performed with the spectral eddy viscosity. Effects of gravity on the dispersed phase include changes in the average settling velocity due to preferential sweeping, impact on the radial distribution function and radial relative velocity, as well as direction-dependent modification of the particle velocity variance. The filtering of the fluid velocity, performed in spectral space, is shown to have a non-trivial impact on these quantities.

Detailed Studies on the Structure and Dynamics of Reacting Dusty Flows at Normal and Microgravity

NASA Technical Reports Server (NTRS)

Andac, M. Gurhan; Cracchiola, Brad; Egolfopoulos, Fokion N.; Campbell, Charles S.

1999-01-01

Dusty reacting flows are of particular interest for a wide range of applications. Inert particles can alter the flammability and extinction limits of a combustible mixture. Reacting particles can release substantial amount of heat and can be used either for power generation or propulsion. Accumulation of combustible particles in air can result in explosions which, for example, can occur in grain elevators, during lumber milling and in mine galleries. Furthermore, inert particles are used as flow velocity markers in reacting flows, and their velocity is measured by non-intrusive laser diagnostic techniques. Despite their importance, dusty reacting flows have been less studied and understood compared to gas phase as well as sprays. The addition of solid particles in a flowing gas stream can lead to strong couplings between the two phases, which can be of dynamic, thermal, and chemical nature. The dynamic coupling between the two phases is caused by the inertia that causes the phases to move with different velocities. Furthermore, gravitational, thermophoretic, photophoretic, electrophoretic, diffusiophoretic, centrifugal, and magnetic forces can be exerted on the particles. In general, magnetic, electrophoretic, centrifugal, photophoretic, and diffusiophoretic can be neglected. On the other hand, thermophoretic forces, caused by steep temperature gradients, can be important. The gravitational forces are almost always present and can affect the dynamic response of large particles. Understanding and quantifying the chemical coupling between two phases is a challenging task. However, all reacting particles begin this process as inert particles, and they must be heated before they participate in the combustion process. Thus, one must first understand the interactions of inert particles in a combustion environment. The in-detail understanding of the dynamics and structure of dusty flows can be only advanced by considering simple flow geometries such as the opposed-jet, stagnation-type. In such configurations the imposed strain rate is well characterized, and the in-depth understanding of the details of the physico-chemical processes can be systematically obtained. A number of computational and experimental studies on spray and particle flows have been conducted in stagnation-type configurations. Numerically, the need for a hybrid Eulerian-Lagrangian approach has been identified by Continillo and Sirignano, and the use of such approach has allowed for the prediction of the phenomenon of droplet flow reversal. Gomez and Rosner have conducted a detailed study on the particle response in the opposed-jet configuration, and the particle thermophoretic diffusivities were determined experimentally. Sung, Law and co-workers have conducted numerical studies on the effect of strain rate and temperature gradients on the dynamics of inert particles, as a way of understanding potential errors in experimental LDV data that may arise from thermophoretic forces. This investigation is a combined experimental and numerical study on the details of reacting dusty flows. The specific tasks are: (1) Experimental determination of laminar flame speeds, and extinction strain rates of dusty flows at normal- and micro-gravity as functions of the particle type, particle initial diameter, particle initial number density, and gas phase chemical composition; (2) Detailed numerical simulation of the experiments. Results are compared with experiments and the adequacy of theoretical models is assessed; and (3) Provision of enhanced insight into the thermo-chemical coupling between the two phases.

Development and Characterization of Embedded Sensory Particles Using Multi-Scale 3D Digital Image Correlation

NASA Technical Reports Server (NTRS)

Cornell, Stephen R.; Leser, William P.; Hochhalter, Jacob D.; Newman, John A.; Hartl, Darren J.

2014-01-01

A method for detecting fatigue cracks has been explored at NASA Langley Research Center. Microscopic NiTi shape memory alloy (sensory) particles were embedded in a 7050 aluminum alloy matrix to detect the presence of fatigue cracks. Cracks exhibit an elevated stress field near their tip inducing a martensitic phase transformation in nearby sensory particles. Detectable levels of acoustic energy are emitted upon particle phase transformation such that the existence and location of fatigue cracks can be detected. To test this concept, a fatigue crack was grown in a mode-I single-edge notch fatigue crack growth specimen containing sensory particles. As the crack approached the sensory particles, measurements of particle strain, matrix-particle debonding, and phase transformation behavior of the sensory particles were performed. Full-field deformation measurements were performed using a novel multi-scale optical 3D digital image correlation (DIC) system. This information will be used in a finite element-based study to determine optimal sensory material behavior and density.

Investigation of unsteadiness in Shock-particle cloud interaction: Fully resolved two-dimensional simulation and one-dimensional modeling

NASA Astrophysics Data System (ADS)

Hosseinzadeh-Nik, Zahra; Regele, Jonathan D.

2015-11-01

Dense compressible particle-laden flow, which has a complex nature, exists in various engineering applications. Shock waves impacting a particle cloud is a canonical problem to investigate this type of flow. It has been demonstrated that large flow unsteadiness is generated inside the particle cloud from the flow induced by the shock passage. It is desirable to develop models for the Reynolds stress to capture the energy contained in vortical structures so that volume-averaged models with point particles can be simulated accurately. However, the previous work used Euler equations, which makes the prediction of vorticity generation and propagation innacurate. In this work, a fully resolved two dimensional (2D) simulation using the compressible Navier-Stokes equations with a volume penalization method to model the particles has been performed with the parallel adaptive wavelet-collocation method. The results still show large unsteadiness inside and downstream of the particle cloud. A 1D model is created for the unclosed terms based upon these 2D results. The 1D model uses a two-phase simple low dissipation AUSM scheme (TSLAU) developed by coupled with the compressible two phase kinetic energy equation.

Modified parton branching model for multi-particle production in hadronic collisions: Application to SUSY particle branching

NASA Astrophysics Data System (ADS)

Yuanyuan, Zhang

The stochastic branching model of multi-particle productions in high energy collision has theoretical basis in perturbative QCD, and also successfully describes the experimental data for a wide energy range. However, over the years, little attention has been put on the branching model for supersymmetric (SUSY) particles. In this thesis, a stochastic branching model has been built to describe the pure supersymmetric particle jets evolution. This model is a modified two-phase stochastic branching process, or more precisely a two phase Simple Birth Process plus Poisson Process. The general case that the jets contain both ordinary particle jets and supersymmetric particle jets has also been investigated. We get the multiplicity distribution of the general case, which contains a Hypergeometric function in its expression. We apply this new multiplicity distribution to the current experimental data of pp collision at center of mass energy √s = 0.9, 2.36, 7 TeV. The fitting shows the supersymmetric particles haven't participate branching at current collision energy.

AOI 1— COMPUTATIONAL ENERGY SCIENCES:MULTIPHASE FLOW RESEARCH High-fidelity multi-phase radiation module for modern coal combustion systems

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

Modest, Michael

The effects of radiation in particle-laden flows were the object of the present research. The presence of particles increases optical thickness substantially, making the use of the “optically thin” approximation in most cases a very poor assumption. However, since radiation fluxes peak at intermediate optical thicknesses, overall radiative effects may not necessarily be stronger than in gas combustion. Also, the spectral behavior of particle radiation properties is much more benign, making spectral models simpler (and making the assumption of a gray radiator halfway acceptable, at least for fluidized beds when gas radiation is not large). On the other hand, particlesmore » scatter radiation, making the radiative transfer equation (RTE) much more di fficult to solve. The research carried out in this project encompassed three general areas: (i) assessment of relevant radiation properties of particle clouds encountered in fluidized bed and pulverized coal combustors, (ii) development of proper spectral models for gas–particulate mixtures for various types of two-phase combustion flows, and (iii) development of a Radiative Transfer Equation (RTE) solution module for such applications. The resulting models were validated against artificial cases since open literature experimental data were not available. The final models are in modular form tailored toward maximum portability, and were incorporated into two research codes: (i) the open-source CFD code OpenFOAM, which we have extensively used in our previous work, and (ii) the open-source multi-phase flow code MFIX, which is maintained by NETL.« less

Photoballistics of volcanic jet activity at Stromboli, Italy

NASA Technical Reports Server (NTRS)

Chouet, B.; Hamisevicz, N.; Mcgetchin, T. R.

1974-01-01

Two night eruptions of the volcano Stromboli were studied through 70-mm photography. Single-camera techniques were used. Particle sphericity, constant velocity in the frame, and radial symmetry were assumed. Properties of the particulate phase found through analysis include: particle size, velocity, total number of particles ejected, angular dispersion and distribution in the jet, time variation of particle size and apparent velocity distribution, averaged volume flux, and kinetic energy carried by the condensed phase. The frequency distributions of particle size and apparent velocities are found to be approximately log normal. The properties of the gas phase were inferred from the fact that it was the transporting medium for the condensed phase. Gas velocity and time variation, volume flux of gas, dynamic pressure, mass erupted, and density were estimated. A CO2-H2O mixture is possible for the observed eruptions. The flow was subsonic. Velocity variations may be explained by an organ pipe resonance. Particle collimation may be produced by a Magnus effect.

Influence of different propellant systems on ablation of EPDM insulators in overload state

NASA Astrophysics Data System (ADS)

Guan, Yiwen; Li, Jiang; Liu, Yang; Xu, Tuanwei

2018-04-01

This study examines the propellants used in full-scale solid rocket motors (SRM) and investigates how insulator ablation is affected by two propellant formulations (A and B) during flight overload conditions. An experimental study, theoretical analysis, and numerical simulations were performed to discover the intrinsic causes of insulator ablation rates from the perspective of lab-scaled ground-firing tests, the decoupling of thermochemical ablation, and particle erosion. In addition, the difference in propellant composition, and the insulator charring layer microstructure were analyzed. Results reveal that the degree of insulator ablation is positively correlated with the propellant burn rate, particle velocity, and aggregate concentrations during the condensed phase. A lower ratio of energetic additive material in the AP oxidizer of the propellant is promising for the reduction in particle size and increase in the burn rate and pressure index. However, the overall higher velocity of a two-phase flow causes severe erosion of the insulation material. While the higher ratio of energetic additive to the AP oxidizer imparts a smaller ablation rate to the insulator (under lab-scale test conditions), the slag deposition problem in the combustion chamber may cause catastrophic consequences for future large full-scale SRM flight experiments.

Uranium nitride as LWR TRISO fuel: Thermodynamic modeling of U-C-N

NASA Astrophysics Data System (ADS)

Besmann, Theodore M.; Shin, Dongwon; Lindemer, Terrence B.

2012-08-01

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 likely need to be UN instead of UO2. In support of the necessary development effort for this new fuel system, 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 followed by nitriding, will be in equilibrium with carbon within the TRISO particle, and will react with minor actinides and fission products. The phase equilibria and thermochemistry of the U-C-N system is reviewed, including nitrogen pressure measurements above various phase fields. Measurements were used to confirm an ideal solution model of UN and UC adequately represents the UC1-xNx phase. Agreement with the data was significantly improved by effectively adjusting the Gibbs free energy of UN by +12 kJ/mol. This also required adjustment of the value for the sesquinitride by +17 kJ/mol to obtain agreement with phase equilibria. The resultant model together with reported values for other phases in the system was used to generate isothermal sections of the U-C-N phase diagram. Nitrogen partial pressures were also computed for regions of interest.

Volume three-dimensional flow measurements using wavelength multiplexing.

PubMed

Moore, Andrew J; Smith, Jason; Lawson, Nicholas J

2005-10-01

Optically distinguishable seeding particles that emit light in a narrow bandwidth, and a combination of bandwidths, were prepared by encapsulating quantum dots. The three-dimensional components of the particles' displacement were measured within a volume of fluid with particle tracking velocimetry (PTV). Particles are multiplexed to different hue bands in the camera images, enabling an increased seeding density and (or) fewer cameras to be used, thereby increasing the measurement spatial resolution and (or) reducing optical access requirements. The technique is also applicable to two-phase flow measurements with PTV or particle image velocimetry, where each phase is uniquely seeded.

TURTLE with MAD input (Trace Unlimited Rays Through Lumped Elements) -- A computer program for simulating charged particle beam transport systems and DECAY TURTLE including decay calculations

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

Carey, D.C.

1999-12-09

TURTLE is a computer program useful for determining many characteristics of a particle beam once an initial design has been achieved, Charged particle beams are usually designed by adjusting various beam line parameters to obtain desired values of certain elements of a transfer or beam matrix. Such beam line parameters may describe certain magnetic fields and their gradients, lengths and shapes of magnets, spacings between magnetic elements, or the initial beam accepted into the system. For such purposes one typically employs a matrix multiplication and fitting program such as TRANSPORT. TURTLE is designed to be used after TRANSPORT. For conveniencemore » of the user, the input formats of the two programs have been made compatible. The use of TURTLE should be restricted to beams with small phase space. The lumped element approximation, described below, precludes the inclusion of the effect of conventional local geometric aberrations (due to large phase space) or fourth and higher order. A reading of the discussion below will indicate clearly the exact uses and limitations of the approach taken in TURTLE.« less

New phase method of measuring particle size with laser Doppler radar

NASA Astrophysics Data System (ADS)

Zemlianskii, Vladimir M.

1996-06-01

A vast field of non-contact metrology, vibrometry, dynamics and microdynamics problems solved on the basis of laser Doppler method resulted in the development of great variety of laser Doppler radar (LDR). In coherent LDR few beams with various polarization are generally adopted, that are directed at the zone of measurement, through which the probing air stream moves. Studies of various coherent LDR demonstrated that polarization-phase effects of scattering can in some cases considerably effect on the signal-to-noise ratio of the Doppler signal. On the other side using phase effects can simultaneous measurement of size and velocity of spherical particles. New possibilities for improving the accuracy of measuring spherical particles' sizes come to light when application is made in coherent LDR of two waves- probing and one out of the types of symmetrical reception of scattered radiation, during which phase-conjugate signals are formed. The theoretical analysis on the basis of the scattering theory showed, that in symmetrical reception of scattered radiation with respect to the planes OXZ and OYZ output signal of the photoreceiver contains two high- frequency signal components, which in relation to parameters of the probing and size, can either be in phase or antiphase. Results of numerical modeling are presented: amplitude of high frequency signal, coefficient of phase and polarization matching of mixed waves, the depths of photocurrent modulation and also signal's phase in relation to the angle between the probing beams. Phase method of determining particle's sizes based on the use of two wavelengths probing and symmetrical reception of scattered radiation in which conditions for the formation of phase conjugated high-frequency signals are satisfied is presented.

Characterization of the structural collapse undergone by an unstable system of ultrasoft particles

NASA Astrophysics Data System (ADS)

Prestipino, Santi; Malescio, Gianpietro

2016-09-01

The effective repulsion between macromolecules such as polymer chains or dendrimers is everywhere finite, implying that interaction centers can even coincide. If, in addition, the large-distance attraction is sufficiently strong, then the system is driven unstable. An unstable system lacks a conventional thermodynamics since, in the infinite-size limit, it eventually collapses to a finite-size cluster (for instance, a polymer dispersion undergoes irreversible coagulation when increasing the amount of dissolved salt beyond a certain limit). Using a double-Gaussian (DG) potential for demonstration, we study the phase behavior of a system of ultrasoft particles as a function of the attraction strength η. Above a critical threshold ηc, the DG system is unstable but its collective behavior is far from trivial since two separate regions of the thermodynamic plane can be identified, based on the value taken by the average waiting time for collapse: this is finite and small on one side of the boundary, while presumably infinite in the other region. In order to make sense of this evidence, we consider a stable system of particles interacting through a DG potential augmented with a hard core (stabilized DG, or SDG potential). We provide arguments supporting the view that the boundary line of the unstable DG model is the remnant of the spinodal line of a fluid-fluid phase transition occurring in the SDG model when the hard-core diameter is sent to zero.

Particle Effects On The Extinction And Ignition Of Flames In Normal- And Micro-Gravity

NASA Technical Reports Server (NTRS)

Andac, M. G.; Egolfopoulos, F. N.; Campbell, C. S.

2003-01-01

Reacting dusty flows have been studied to lesser extent than pure gas phase flows and sprays. Particles can significantly alter the ignition, burning and extinction characteristics of the gas phase due to the dynamic, thermal, and chemical couplings between the phases. The understanding of two-phase flows can be attained in stagnation flow configurations, which have been used to study spray combustion [e.g. 1] as well as reacting dusty flows [e.g. 2]. The thermal coupling between inert particles and a gas, as well as the effect of gravity, were studied in Ref. 3. It was also shown that the gravity can substantially affect parameters such as the particle velocity, number density, mass flux, and temperature. In Refs. 4 and 5, the effects of inert particles on the extinction of strained premixed and nonpremixed flames were studied both experimentally and numerically at 1-g and m-g. It was shown that large particles can cool flames more effectively than smaller particles. The effects of flame configuration and particle injection orientation were also addressed. It was shown that it was not possible to obtain a simple and still meaningful scaling that captured all the pertinent physics due to the complexity of the couplings between parameters. Also, the cooling by particles is more profound in the absence of gravity as gravity works to reduce the particle number density in the neighborhood of the flame. The efforts were recently shifted towards the understanding of the effects of combustible particles on extinction [6], the gas-phase ignition by hot particle injection [7], and the hot gas ignition of flames in the presence of particles that are not hot enough to ignite the gas phase by themselves.

Synchronization of finite-size particles by a traveling wave in a cylindrical flow

NASA Astrophysics Data System (ADS)

Melnikov, D. E.; Pushkin, D. O.; Shevtsova, V. M.

2013-09-01

Motion of small finite-size particles suspended in a cylindrical thermocapillary flow with an azimuthally traveling wave is studied experimentally and numerically. At certain flow regimes the particles spontaneously align in dynamic accumulation structures (PAS) of spiral shape. We find that long-time trajectories of individual particles in this flow fall into three basic categories that can be described, borrowing the dynamical systems terminology, as the stable periodic, the quasiperiodic, and the quasistable periodic orbits. Besides these basic types of orbits, we observe the "doubled" periodic orbits and shuttle-like particle trajectories. We find that ensembles of particles having periodic orbits give rise to one-dimensional spiral PAS, while ensembles of particles having quasiperiodic orbits form two-dimensional PAS of toroidal shape. We expound the reasons why these types of orbits and the emergence of the corresponding accumulation structures should naturally be anticipated based on the phase locking theory of PAS formation. We give a further discussion of PAS features, such as the finite thickness of PAS spirals and the probable scenarios of the spiral PAS destruction. Finally, in numerical simulations of inertial particles we observe formation of the spiral structures corresponding to the 3:1 "resonance" between the particle turnover frequency and the wave oscillations frequency, thus confirming another prediction of the phase locking theory. In view of the generality of the arguments involved, we expect the importance of this structure-forming mechanism to go far beyond the realm of the laboratory-friendly thermocapillary flows.

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).

Hyperuniformity and its generalizations.

PubMed

Torquato, Salvatore

2016-08-01

Disordered many-particle hyperuniform systems are exotic amorphous states of matter that lie between crystal and liquid: They are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These exotic states of matter play a vital role in a number of problems across the physical, mathematical as well as biological sciences and, because they are endowed with novel physical properties, have technological importance. Given the fundamental as well as practical importance of disordered hyperuniform systems elucidated thus far, it is natural to explore the generalizations of the hyperuniformity notion and its consequences. In this paper, we substantially broaden the hyperuniformity concept along four different directions. This includes generalizations to treat fluctuations in the interfacial area (one of the Minkowski functionals) in heterogeneous media and surface-area driven evolving microstructures, random scalar fields, divergence-free random vector fields, and statistically anisotropic many-particle systems and two-phase media. In all cases, the relevant mathematical underpinnings are formulated and illustrative calculations are provided. Interfacial-area fluctuations play a major role in characterizing the microstructure of two-phase systems (e.g., fluid-saturated porous media), physical properties that intimately depend on the geometry of the interface, and evolving two-phase microstructures that depend on interfacial energies (e.g., spinodal decomposition). In the instances of random vector fields and statistically anisotropic structures, we show that the standard definition of hyperuniformity must be generalized such that it accounts for the dependence of the relevant spectral functions on the direction in which the origin in Fourier space is approached (nonanalyticities at the origin). Using this analysis, we place some well-known energy spectra from the theory of isotropic turbulence in the context of this generalization of hyperuniformity. Among other results, we show that there exist many-particle ground-state configurations in which directional hyperuniformity imparts exotic anisotropic physical properties (e.g., elastic, optical, and acoustic characteristics) to these states of matter. Such tunability could have technological relevance for manipulating light and sound waves in ways heretofore not thought possible. We show that disordered many-particle systems that respond to external fields (e.g., magnetic and electric fields) are a natural class of materials to look for directional hyperuniformity. The generalizations of hyperuniformity introduced here provide theoreticians and experimentalists new avenues to understand a very broad range of phenomena across a variety of fields through the hyperuniformity "lens."

Hyperuniformity and its generalizations

NASA Astrophysics Data System (ADS)

Torquato, Salvatore

2016-08-01

Disordered many-particle hyperuniform systems are exotic amorphous states of matter that lie between crystal and liquid: They are like perfect crystals in the way they suppress large-scale density fluctuations and yet are like liquids or glasses in that they are statistically isotropic with no Bragg peaks. These exotic states of matter play a vital role in a number of problems across the physical, mathematical as well as biological sciences and, because they are endowed with novel physical properties, have technological importance. Given the fundamental as well as practical importance of disordered hyperuniform systems elucidated thus far, it is natural to explore the generalizations of the hyperuniformity notion and its consequences. In this paper, we substantially broaden the hyperuniformity concept along four different directions. This includes generalizations to treat fluctuations in the interfacial area (one of the Minkowski functionals) in heterogeneous media and surface-area driven evolving microstructures, random scalar fields, divergence-free random vector fields, and statistically anisotropic many-particle systems and two-phase media. In all cases, the relevant mathematical underpinnings are formulated and illustrative calculations are provided. Interfacial-area fluctuations play a major role in characterizing the microstructure of two-phase systems (e.g., fluid-saturated porous media), physical properties that intimately depend on the geometry of the interface, and evolving two-phase microstructures that depend on interfacial energies (e.g., spinodal decomposition). In the instances of random vector fields and statistically anisotropic structures, we show that the standard definition of hyperuniformity must be generalized such that it accounts for the dependence of the relevant spectral functions on the direction in which the origin in Fourier space is approached (nonanalyticities at the origin). Using this analysis, we place some well-known energy spectra from the theory of isotropic turbulence in the context of this generalization of hyperuniformity. Among other results, we show that there exist many-particle ground-state configurations in which directional hyperuniformity imparts exotic anisotropic physical properties (e.g., elastic, optical, and acoustic characteristics) to these states of matter. Such tunability could have technological relevance for manipulating light and sound waves in ways heretofore not thought possible. We show that disordered many-particle systems that respond to external fields (e.g., magnetic and electric fields) are a natural class of materials to look for directional hyperuniformity. The generalizations of hyperuniformity introduced here provide theoreticians and experimentalists new avenues to understand a very broad range of phenomena across a variety of fields through the hyperuniformity "lens."

Asymptotic behavior of Nambu-Bethe-Salpeter wave functions for multiparticles in quantum field theories

NASA Astrophysics Data System (ADS)

Aoki, Sinya; Ishii, Noriyoshi; Doi, Takumi; Ikeda, Yoichi; Inoue, Takashi

2013-07-01

We derive asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave function at large space separations for systems with more than two particles in quantum field theories. To deal with n particles in the center-of-mass frame coherently, we introduce the Jacobi coordinates of n particles and then combine their 3(n-1) coordinates into the one spherical coordinate in D=3(n-1) dimensions. We parametrize the on-shell T matrix for n scalar particles at low energy using the unitarity constraint of the S matrix. We then express asymptotic behaviors of the NBS wave function for n particles at low energy in terms of parameters of the T matrix and show that the NBS wave function carries information of the T matrix such as phase shifts and mixing angles of the n-particle system in its own asymptotic behavior, so that the NBS wave function can be considered as the scattering wave of n particles in quantum mechanics. This property is one of the essential ingredients of the HAL QCD scheme to define “potential” from the NBS wave function in quantum field theories such as QCD. Our results, together with an extension to systems with spin 1/2 particles, justify the HAL QCD’s definition of potentials for three or more nucleons (or baryons) in terms of the NBS wave functions.

The dispersion of particles in a separated backward-facing step flow

NASA Astrophysics Data System (ADS)

Ruck, B.; Makiola, B.

1991-05-01

Flows in technical and natural circuits often involve a particulate phase. To measure the dynamics of suspended, naturally resident or artificially seeded particles in the flow, optical measuring techniques, e.g., laser Doppler anemometry (LDA) can be used advantageously. In this paper the dispersion of particles in a single-sided backward-facing step flow is investigated by LDA. The investigation is of relevance for both, two-phase flow problems in separated flows with the associated particle diameter range of 1-70 μm and the accuracy of LDA with tracer particles of different sizes. The latter is of interest for all LDA applications to measure continuous phase properties, where interest for experimental restraints require tracer diameters in the upper micrometer range, e.g., flame resistant particles for measurements inside reactors, cylinders, etc. For the experiments, a closed-loop wind tunnel with a step expansion was used. Part of this tunnel, the test section, was made of glass. The step had a height H=25 mm (channel height before the step 25 mm, after 50 mm, i.e., an expansion ratio of 2). The width of the channel was 500 mm. The length of the glass test section was chosen as 116 step heights. The wind tunnel, driven by a radial fan, allowed flow velocities up to 50 m/sec which is equivalent to ReH=105. Seeding was performed with particles of well-known size: 1, 15, 30, and 70 μm in diameter. As 1 μm tracers oil droplets were used, whereas for the upper micron range starch particles (density 1.500 kg/m3) were chosen. Starch particles have a spherical shape and are not soluble in cold water. Particle velocities were measured locally using a conventional 1-D LDA system. The measurements deliver the resultant ``flow'' field information stemming from different particle size classes. Thus, the particle behavior in the separated flow field can be resolved. The results show that with increasing particle size, the particle velocity field differs increasingly from the flow field of the continuous phase (inferred from the smallest tracers used). The velocity fluctuations successively decrease with increasing particle diameter. In separation zones, bigger particles have a lower mean velocity than smaller ones. The opposite holds for the streamwise portions of the particle velocity field, where bigger particles show a higher velocity. The measurements give detailed insight into the particle dynamics in separated flow regions. LDA-measured dividing streamlines and lines of zero velocity of different particle classes in the recirculation region have been plotted and compared. In LDA the use of tracer particles in the upper micrometer size range leads to erroneous determinations of continuous phase flow characteristics. It turned out that the dimensions of the measured recirculation zones are reduced with increasing particle diameter. The physical reasons for these findings (relaxation time of particles, Stokes numbers, etc.) are explained in detail.

Two coupled, driven Ising spin systems working as an engine.

PubMed

Basu, Debarshi; Nandi, Joydip; Jayannavar, A M; Marathe, Rahul

2017-05-01

Miniaturized heat engines constitute a fascinating field of current research. Many theoretical and experimental studies are being conducted that involve colloidal particles in harmonic traps as well as bacterial baths acting like thermal baths. These systems are micron-sized and are subjected to large thermal fluctuations. Hence, for these systems average thermodynamic quantities, such as work done, heat exchanged, and efficiency, lose meaning unless otherwise supported by their full probability distributions. Earlier studies on microengines are concerned with applying Carnot or Stirling engine protocols to miniaturized systems, where system undergoes typical two isothermal and two adiabatic changes. Unlike these models we study a prototype system of two classical Ising spins driven by time-dependent, phase-different, external magnetic fields. These spins are simultaneously in contact with two heat reservoirs at different temperatures for the full duration of the driving protocol. Performance of the model as an engine or a refrigerator depends only on a single parameter, namely the phase between two external drivings. We study this system in terms of fluctuations in efficiency and coefficient of performance (COP). We find full distributions of these quantities numerically and study the tails of these distributions. We also study reliability of the engine. We find the fluctuations dominate mean values of efficiency and COP, and their probability distributions are broad with power law tails.

Two coupled, driven Ising spin systems working as an engine

NASA Astrophysics Data System (ADS)

Basu, Debarshi; Nandi, Joydip; Jayannavar, A. M.; Marathe, Rahul

2017-05-01

Miniaturized heat engines constitute a fascinating field of current research. Many theoretical and experimental studies are being conducted that involve colloidal particles in harmonic traps as well as bacterial baths acting like thermal baths. These systems are micron-sized and are subjected to large thermal fluctuations. Hence, for these systems average thermodynamic quantities, such as work done, heat exchanged, and efficiency, lose meaning unless otherwise supported by their full probability distributions. Earlier studies on microengines are concerned with applying Carnot or Stirling engine protocols to miniaturized systems, where system undergoes typical two isothermal and two adiabatic changes. Unlike these models we study a prototype system of two classical Ising spins driven by time-dependent, phase-different, external magnetic fields. These spins are simultaneously in contact with two heat reservoirs at different temperatures for the full duration of the driving protocol. Performance of the model as an engine or a refrigerator depends only on a single parameter, namely the phase between two external drivings. We study this system in terms of fluctuations in efficiency and coefficient of performance (COP). We find full distributions of these quantities numerically and study the tails of these distributions. We also study reliability of the engine. We find the fluctuations dominate mean values of efficiency and COP, and their probability distributions are broad with power law tails.

Influence of propylene glycol on aqueous silica dispersions and particle-stabilized emulsions.

PubMed

Binks, Bernard P; Fletcher, Paul D I; Thompson, Michael A; Elliott, Russell P

2013-05-14

We have studied the influence of adding propylene glycol to both aqueous dispersions of fumed silica nanoparticles and emulsions of paraffin liquid and water stabilized by the same particles. In the absence of oil, aerating mixtures of aqueous propylene glycol and particles yields either stable dispersions, aqueous foams, climbing particle films, or liquid marbles depending on the glycol content and particle hydrophobicity. The presence of glycol in water promotes particles to behave as if they are more hydrophilic. Calculations of their contact angle at the air-aqueous propylene glycol surface are in agreement with these findings. In the presence of oil, particle-stabilized emulsions invert from water-in-oil to oil-in-water upon increasing either the inherent hydrophilicity of the particles or the glycol content in the aqueous phase. Stable multiple emulsions occur around phase inversion in systems of low glycol content, and completely stable, waterless oil-in-propylene glycol emulsions can also be prepared. Accounting for the surface energies at the respective interfaces allows estimation of the contact angle at the oil-polar phase interface; reasonable agreement between measured and calculated phase inversion conditions is found assuming no glycol adsorption on particle surfaces.

Strongly coupled fluid-particle flows in vertical channels. I. Reynolds-averaged two-phase turbulence statistics

NASA Astrophysics Data System (ADS)

Capecelatro, Jesse; Desjardins, Olivier; Fox, Rodney O.

2016-03-01

Simulations of strongly coupled (i.e., high-mass-loading) fluid-particle flows in vertical channels are performed with the purpose of understanding the fundamental physics of wall-bounded multiphase turbulence. The exact Reynolds-averaged (RA) equations for high-mass-loading suspensions are presented, and the unclosed terms that are retained in the context of fully developed channel flow are evaluated in an Eulerian-Lagrangian (EL) framework for the first time. A key distinction between the RA formulation presented in the current work and previous derivations of multiphase turbulence models is the partitioning of the particle velocity fluctuations into spatially correlated and uncorrelated components, used to define the components of the particle-phase turbulent kinetic energy (TKE) and granular temperature, respectively. The adaptive spatial filtering technique developed in our previous work for homogeneous flows [J. Capecelatro, O. Desjardins, and R. O. Fox, "Numerical study of collisional particle dynamics in cluster-induced turbulence," J. Fluid Mech. 747, R2 (2014)] is shown to accurately partition the particle velocity fluctuations at all distances from the wall. Strong segregation in the components of granular energy is observed, with the largest values of particle-phase TKE associated with clusters falling near the channel wall, while maximum granular temperature is observed at the center of the channel. The anisotropy of the Reynolds stresses both near the wall and far away is found to be a crucial component for understanding the distribution of the particle-phase volume fraction. In Part II of this paper, results from the EL simulations are used to validate a multiphase Reynolds-stress turbulence model that correctly predicts the wall-normal distribution of the two-phase turbulence statistics.

Strongly coupled fluid-particle flows in vertical channels. I. Reynolds-averaged two-phase turbulence statistics

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

Capecelatro, Jesse, E-mail: jcaps@illinois.edu; Desjardins, Olivier; Fox, Rodney O.

Simulations of strongly coupled (i.e., high-mass-loading) fluid-particle flows in vertical channels are performed with the purpose of understanding the fundamental physics of wall-bounded multiphase turbulence. The exact Reynolds-averaged (RA) equations for high-mass-loading suspensions are presented, and the unclosed terms that are retained in the context of fully developed channel flow are evaluated in an Eulerian–Lagrangian (EL) framework for the first time. A key distinction between the RA formulation presented in the current work and previous derivations of multiphase turbulence models is the partitioning of the particle velocity fluctuations into spatially correlated and uncorrelated components, used to define the components ofmore » the particle-phase turbulent kinetic energy (TKE) and granular temperature, respectively. The adaptive spatial filtering technique developed in our previous work for homogeneous flows [J. Capecelatro, O. Desjardins, and R. O. Fox, “Numerical study of collisional particle dynamics in cluster-induced turbulence,” J. Fluid Mech. 747, R2 (2014)] is shown to accurately partition the particle velocity fluctuations at all distances from the wall. Strong segregation in the components of granular energy is observed, with the largest values of particle-phase TKE associated with clusters falling near the channel wall, while maximum granular temperature is observed at the center of the channel. The anisotropy of the Reynolds stresses both near the wall and far away is found to be a crucial component for understanding the distribution of the particle-phase volume fraction. In Part II of this paper, results from the EL simulations are used to validate a multiphase Reynolds-stress turbulence model that correctly predicts the wall-normal distribution of the two-phase turbulence statistics.« less

Computer simulation and high level virial theory of Saturn-ring or UFO colloids.

PubMed

Bates, Martin A; Dennison, Matthew; Masters, Andrew

2008-08-21

Monte Carlo simulations are used to map out the complete phase diagram of hard body UFO systems, in which the particles are composed of a concentric sphere and thin disk. The equation of state and phase behavior are determined for a range of relative sizes of the sphere and disk. We show that for relatively large disks, nematic and solid phases are observed in addition to the isotropic fluid. For small disks, two different solid phases exist. For intermediate sizes, only a disordered fluid phase is observed. The positional and orientational structure of the various phases are examined. We also compare the equations of state and the nematic-isotropic coexistence densities with those predicted by an extended Onsager theory using virial coefficients up to B(8).

Computer simulation and high level virial theory of Saturn-ring or UFO colloids

NASA Astrophysics Data System (ADS)

Bates, Martin A.; Dennison, Matthew; Masters, Andrew

2008-08-01

Monte Carlo simulations are used to map out the complete phase diagram of hard body UFO systems, in which the particles are composed of a concentric sphere and thin disk. The equation of state and phase behavior are determined for a range of relative sizes of the sphere and disk. We show that for relatively large disks, nematic and solid phases are observed in addition to the isotropic fluid. For small disks, two different solid phases exist. For intermediate sizes, only a disordered fluid phase is observed. The positional and orientational structure of the various phases are examined. We also compare the equations of state and the nematic-isotropic coexistence densities with those predicted by an extended Onsager theory using virial coefficients up to B8.

Embedded Shape Memory Alloy Particles for the Self-Sensing of Fatigue Crack Growth in an Aluminum Alloy

NASA Astrophysics Data System (ADS)

Leser, William Paul

Future aerospace vehicles will be built using novel materials for mission conditions that are difficult to replicate in a laboratory. Structural health monitoring and condition-based maintenance will be critical to ensure the reliability of such vehicles. A multi-functional aluminum alloy containing embedded shape memory alloy (SMA) particles to detect fatigue crack growth is proposed. The regions of intensified strain near the tip of a growing fatigue crack cause the SMA particles to undergo a solid-to-solid phase transformation from austenite to martensite, releasing a detectable and identifiable acoustic emission (AE) signal that can be used to locate the crack in the affected component. This study investigates the AE response of two SMA systems, Ni-Ti, and Co-Ni-Al. Tensile (Ni-Ti) and compressive (Co-Ni-Al) tests were conducted to study the strain-induced transformation response in both of the alloy systems. It was found that the critical stress for transformation in both SMA systems was easily identified by a burst of AE activity during both transformation and reverse transformation. AE signals from these experiments were collected for use as training data for a Bayesian classifier to be used to identify transformation signals in a Al7050 matrix with embedded SMA particles. The Al/SMA composite was made by vacuum hot pressing SMA powder between aluminum plates. The effect of hot pressing temperature and subsequent heat treatments (solutionizing and peak aging) on the SMA particles was studied. It was found that, at the temperatures required, Co-Ni-Al developed a second phase that restricted the transformation from austenite to martensite, thus rendering it ineffective as a candidate for the embedded particles. Conversely, Ni-Ti did survive the embedding process and it was found that the solutionizing heat treatment applied after hot pressing was the main driver in determining the final transformation temperatures for the Ni-Ti particles. The effect of hot pressing on the transformation temperatures was negated upon solutionizing and peak aging occurred at a sufficiently low temperature to as not affect the properties of the Ni-Ti. Strain-induced transformation was confirmed in the Ni-Ti particles by digital image correlation (DIC) using an environmental scanning electron microscope (ESEM). Specimens were fatigue pre-cracked until a crack was produced and observed to be approaching a particle that could be monitored on the surface, at which point it was put into the ESEM for DIC under tensile loading. Acoustic emission activity was observed during this experiment. In order to distinguish AE signals arising due to phase transformation in the particles from those due to crack extension in the matrix, a Bayesian classifier was constructed based on frequency parameters calculated using the Hilbert-Huang transform (HHT). Using this classifier, AE signals consistent with those arising from phase transformation in bulk Ni-Ti were identified during phase transformation in the particles as observed with DIC. In addition to tensile crack growth in the ESEM, a fatigue crack was grown through a specimen with particles interspersed along the specimen center line. Several low amplitude AE events were observed as the crack grew through the aluminum. As the fatigue crack passed through the line of particles AE events increased dramatically in rate of occurance and amplitude. Amplitudes were 6-10 times higher as the crack passed near the particles. These AE events were also shown to be consistent with Ni-Ti phase transformation. A successful proof-of-concept was demonstrated for an aluminum alloy with embedded particles that emit an identifiable and repeatable AE signal in the presence of a fatigue crack, allowing for quick diagnosis of fatigue crack damage in this material.

Effect of water on foaming properties of diglycerol fatty acid ester-oil systems.

PubMed

Shrestha, Lok Kumar; Shrestha, Rekha Goswami; Solans, Conxita; Aramaki, Kenji

2007-06-19

We have studied the effect of added water on the nonaqueous foaming properties of diglycerol fatty acid ester nonionic surfactant systems. Diglycerol monomyristate (designated as DGM) could not foam in nonpolar oils squalane and hexadecane at normal room temperature. Nevertheless, addition of a small amount of water induces a dramatic change in foaming properties. Both the foamability and foam stability increases with the amount of added water within the studied concentration range. Phase behavior study showed that in the dilute regions there is dispersion of solid surfactant in the aforementioned oils in the DGM systems. The particle size of the dispersed solid phase was found to be several tens of microns in the water free system, and hence it tends to coagulate and precipitate. In the case of shorter alkyl chain length, diglycerol monolaurate (DGL) surfactant-oil systems, dispersion of lamellar liquid crystal (Lalpha) is observed at room temperature, and the poor foaming properties were attributed to the large particle size of the liquid crystal. In both the DGL and DGM-oil systems, we observed a tendency of the particle size to decrease with the increasing concentration of added water. At higher temperature, the solid surfactant transforms to lamellar liquid crystal phase, and foaming is improved in the DGM/squalane system. Foams are stable for several minutes. Judging from the foaming test and particle size distribution data it can be concluded that the poor foaming in the diglycerol fatty acid esters-oil systems may possibly be due to bigger particle size, which causes precipitation. Addition of water results in the dispersion of smaller particles and improves the foaming behavior.

Landfills as sources of polyfluorinated compounds, polybrominated diphenyl ethers and musk fragrances to ambient air

NASA Astrophysics Data System (ADS)

Weinberg, Ingo; Dreyer, Annekatrin; Ebinghaus, Ralf

2011-02-01

In order to investigate landfills as sources of polyfluorinated compounds (PFCs), polybrominated diphenyl ethers (PBDEs) and synthetic musk fragrances to the atmosphere, air samples were simultaneously taken at two landfills (one active and one closed) and two reference sites using high volume air samplers. Contaminants were accumulated on glass fiber filters (particle phase) and PUF/XAD-2/PUF cartridges (gas phase), extracted by methyl-tert butyl ether/acetone (neutral PFCs), methanol (ionic PFCs) or hexane/acetone (PBDEs, musk fragrances), and detected by GC-MS (neutral PFCs, PBDEs, musk fragrances) or HPLC-MS/MS (ionic PFCs). Total concentrations ranged from 84 to 706 pg m -3 (volatile PFCs, gas phase), from

Leveraging Gibbs Ensemble Molecular Dynamics and Hybrid Monte Carlo/Molecular Dynamics for Efficient Study of Phase Equilibria.

PubMed

Gartner, Thomas E; Epps, Thomas H; Jayaraman, Arthi

2016-11-08

We describe an extension of the Gibbs ensemble molecular dynamics (GEMD) method for studying phase equilibria. Our modifications to GEMD allow for direct control over particle transfer between phases and improve the method's numerical stability. Additionally, we found that the modified GEMD approach had advantages in computational efficiency in comparison to a hybrid Monte Carlo (MC)/MD Gibbs ensemble scheme in the context of the single component Lennard-Jones fluid. We note that this increase in computational efficiency does not compromise the close agreement of phase equilibrium results between the two methods. However, numerical instabilities in the GEMD scheme hamper GEMD's use near the critical point. We propose that the computationally efficient GEMD simulations can be used to map out the majority of the phase window, with hybrid MC/MD used as a follow up for conditions under which GEMD may be unstable (e.g., near-critical behavior). In this manner, we can capitalize on the contrasting strengths of these two methods to enable the efficient study of phase equilibria for systems that present challenges for a purely stochastic GEMC method, such as dense or low temperature systems, and/or those with complex molecular topologies.

Strange Particle Reconstruction by the Missing Mass Method

NASA Astrophysics Data System (ADS)

Kisel, Pavel; Kisel, Ivan; Senger, Peter; Vassiliev, Iouri; Zyzak, Maksym

2018-02-01

The main goal of modern heavy-ion experiments is a comprehensive study of the QCD phase diagram, in a region of Quark-Gluon Plasma (QGP) and possible phase transition to QGP phase. Strange particles produced in the collision are sensitive probes of the created media. Reconstruction of Σ particles together with other strange particles completes the picture of strangeness production. Σ+ and Σ- have all decay modes with at least one neutral daughter, which can not be registered by the CBM detector. For their identification the missing mass method is proposed: a) tracks of the mother (Σ-) and the charged daughter (π-) particles are reconstructed in the tracking system; b) the neutral daughter particle (n) is reconstructed from these tracks; c) a mass constraint is set on the reconstructed neutral daughter; d) the mother particle is constructed of the charged and reconstructed neutral daughter particles and the mass spectrum is obtained, by which the particle can be identified. The method can be applied for other strange particles too. In total 18 particle decays with neutral daughter are now included into physics analysis.

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.

Convoluted Quasi Sturmian basis for the two-electron continuum

NASA Astrophysics Data System (ADS)

Ancarani, Lorenzo Ugo; Zaytsev, A. S.; Zaytsev, S. A.

2016-09-01

In the construction of solutions for the Coulomb three-body scattering problem one encounters a series of mathematical and numerical difficulties, one of which are the cumbersome boundary conditions the wave function should obey. We propose to describe a Coulomb three-body system continuum with a set of two-particle functions, named Convoluted Quasi Sturmian (CQS) in. They are built using recently introduced Quasi Sturmian (QS) functions which have the merit of possessing a closed form. Unlike a simple product of two one-particle functions, by construction, the CQS functions look asymptotically like a six-dimensional outgoing spherical wave. The proposed CQS basis is tested through the study of the double ionization of helium by high-energy electron impact in the framework of the Temkin-Poet model. An adequate logarithmic-like phase factor is further included in order to take into account the Coulomb interelectronic interaction and formally build the correct asymptotic behavior when all interparticle distances are large. With such a phase-factor (that can be easily extended to take into account higher partial waves) rapid convergence of the expansion can be obtained.

Interaction of a shock wave with an array of particles and effect of particles on the shock wave weakening

NASA Astrophysics Data System (ADS)

Bulat, P. V.; Ilyina, T. E.; Volkov, K. N.; Silnikov, M. V.; Chernyshov, M. V.

2017-06-01

Two-phase systems that involve gas-particle or gas-droplet flows are widely used in aerospace and power engineering. The problems of weakening and suppression of detonation during saturation of a gas or liquid flow with the array of solid particles are considered. The tasks, associated with the formation of particles arrays, dust lifting behind a travelling shock wave, ignition of particles in high-speed and high-temperature gas flows are adjoined to safety of space flight. The mathematical models of shock wave interaction with the array of solid particles are discussed, and numerical methods are briefly described. The numerical simulations of interaction between sub- and supersonic flows and an array of particles being in motionless state at the initial time are performed. Calculations are carried out taking into account the influence that the particles cause on the flow of carrier gas. The results obtained show that inert particles significantly weaken the shock waves up to their suppression, which can be used to enhance the explosion safety of spacecrafts.

Resonance controlled transport in phase space

NASA Astrophysics Data System (ADS)

Leoncini, Xavier; Vasiliev, Alexei; Artemyev, Anton

2018-02-01

We consider the mechanism of controlling particle transport in phase space by means of resonances in an adiabatic setting. Using a model problem describing nonlinear wave-particle interaction, we show that captures into resonances can be used to control transport in momentum space as well as in physical space. We design the model system to provide creation of a narrow peak in the distribution function, thus producing effective cooling of a sub-ensemble of the particles.

Clustering and phase behaviour of attractive active particles with hydrodynamics.

PubMed

Navarro, Ricard Matas; Fielding, Suzanne M

2015-10-14

We simulate clustering, phase separation and hexatic ordering in a monolayered suspension of active squirming disks subject to an attractive Lennard-Jones-like pairwise interaction potential, taking hydrodynamic interactions between the particles fully into account. By comparing the hydrodynamic case with counterpart simulations for passive and active Brownian particles, we elucidate the relative roles of self-propulsion, interparticle attraction, and hydrodynamic interactions in determining clustering and phase behaviour. Even in the presence of an attractive potential, we find that hydrodynamic interactions strongly suppress the motility induced phase separation that might a priori have been expected in a highly active suspension. Instead, we find only a weak tendency for the particles to form stringlike clusters in this regime. At lower activities we demonstrate phase behaviour that is broadly equivalent to that of the counterpart passive system at low temperatures, characterized by regimes of gas-liquid, gas-solid and liquid-solid phase coexistence. In this way, we suggest that a dimensionless quantity representing the level of activity relative to the strength of attraction plays the role of something like an effective non-equilibrium temperature, counterpart to the (dimensionless) true thermodynamic temperature in the passive system. However there are also some important differences from the equilibrium case, most notably with regards the degree of hexatic ordering, which we discuss carefully.

Properties of meso-Erythritol; phase state, accommodation coefficient and saturation vapour pressure

NASA Astrophysics Data System (ADS)

Emanuelsson, Eva; Tschiskale, Morten; Bilde, Merete

2016-04-01

Introduction Saturation vapour pressure and the associated temperature dependence (enthalpy ΔH), are key parameters for improving predictive atmospheric models. Generally, the atmospheric aerosol community lack experimentally determined values of these properties for relevant organic aerosol compounds (Bilde et al., 2015). In this work we have studied the organic aerosol component meso-Erythritol. Methods Sub-micron airborne particles of meso-Erythritol were generated by nebulization from aqueous solution, dried, and a mono disperse fraction of the aerosol was selected using a differential mobility analyser. The particles were then allowed to evaporate in the ARAGORN (AaRhus Atmospheric Gas phase OR Nano particle) flow tube. It is a temperature controlled 3.5 m long stainless steel tube with an internal diameter of 0.026 m (Bilde et al., 2003, Zardini et al., 2010). Changes in particle size as function of evaporation time were determined using a scanning mobility particle sizer system. Physical properties like air flow, temperature, humidity and pressure were controlled and monitored on several places in the setup. The saturation vapour pressures were then inferred from the experimental results in the MATLAB® program AU_VaPCaP (Aarhus University_Vapour Pressure Calculation Program). Results Following evaporation, meso-Erythriol under some conditions showed a bimodal particle size distribution indicating the formation of particles of two different phase states. The issue of physical phase state, along with critical assumptions e.g. the accommodation coefficient in the calculations of saturation vapour pressures of atmospheric relevant compounds, will be discussed. Saturation vapour pressures from the organic compound meso-Erythritol will be presented at temperatures between 278 and 308 K, and results will be discussed in the context of atmospheric chemistry. References Bilde, M. et al., (2015), Chemical Reviews, 115 (10), 4115-4156. Bilde, M. et. al., (2003), Environmental Science and Technology 37(7), 1371-1378. Zardini, A. A. et al., (2010), Journal of Aerosol Science, 41, 760-770.

Fixation of virgin lunar surface soil

NASA Technical Reports Server (NTRS)

Conley, J. M.; Frazer, R.; Cannon, W. A.

1972-01-01

Two systems are shown to be suitable for fixing loose particulate soils with a polymer film, without visually detectable disturbance of the soil particle spatial relationships. A two-component system is described, which uses a gas monomer condensible at the soil temperature and a gas phase catalyst acting to polymerize the monomer. A one-component system using a monomer which polymerizes spontaneously on and within the top few millimeters of the soil is also considered. The two-component system employs a simpler apparatus, but it operates over a narrower temperature range (approximately -40 to -10 C). Other two-component systems were identified which may operate at soil temperatures as high as +100 C, at relatively narrow temperature ranges of approximately 30 C. The one-component system was demonstrated to operate successfully with initial soil temperatures from -70 C or lower to +150 C.

Effect of particle velocity fluctuations on the inertia coupling in two-phase flow

NASA Technical Reports Server (NTRS)

Drew, Donald A.

1989-01-01

Consistent forms for the interfacial force, the interfacial pressure, the Reynolds stresses and the particle stress have been derived for the inviscid, irrotational incompressible flow of fluid in a dilute suspension of spheres. The particles are assumed to have a velocity distribution, giving rise to an effective pressure and stress in the particle phase. The velocity fluctuations also contribute in the fluid Reynolds stress and in the (elastic) stress field inside the spheres. The relation of these constitutive equations to the force on an individual sphere is discussed.

The ADvanced SEParation (ADSEP)

NASA Technical Reports Server (NTRS)

1998-01-01

The ADvanced SEParation (ADSEP) commercial payload is making use of major advances in separation technology: The Phase Partitioning Experiment (PPE); the Micorencapsulation experiment; and the Hemoglobin Separation Experiment (HSE). Using ADSEP, commercial researchers will attempt to determine the partition coefficients for model particles in a two-phase system. With this information, researchers can develop a higher resolution, more effective cell isolation procedure that can be used for many different types of research and for improved health care. The advanced separation technology is already being made available for use in ground-based laboratories.

A multi-parametric particle-pairing algorithm for particle tracking in single and multiphase flows

NASA Astrophysics Data System (ADS)

Cardwell, Nicholas D.; Vlachos, Pavlos P.; Thole, Karen A.

2011-10-01

Multiphase flows (MPFs) offer a rich area of fundamental study with many practical applications. Examples of such flows range from the ingestion of foreign particulates in gas turbines to transport of particles within the human body. Experimental investigation of MPFs, however, is challenging, and requires techniques that simultaneously resolve both the carrier and discrete phases present in the flowfield. This paper presents a new multi-parametric particle-pairing algorithm for particle tracking velocimetry (MP3-PTV) in MPFs. MP3-PTV improves upon previous particle tracking algorithms by employing a novel variable pair-matching algorithm which utilizes displacement preconditioning in combination with estimated particle size and intensity to more effectively and accurately match particle pairs between successive images. To improve the method's efficiency, a new particle identification and segmentation routine was also developed. Validation of the new method was initially performed on two artificial data sets: a traditional single-phase flow published by the Visualization Society of Japan (VSJ) and an in-house generated MPF data set having a bi-modal distribution of particles diameters. Metrics of the measurement yield, reliability and overall tracking efficiency were used for method comparison. On the VSJ data set, the newly presented segmentation routine delivered a twofold improvement in identifying particles when compared to other published methods. For the simulated MPF data set, measurement efficiency of the carrier phases improved from 9% to 41% for MP3-PTV as compared to a traditional hybrid PTV. When employed on experimental data of a gas-solid flow, the MP3-PTV effectively identified the two particle populations and reported a vector efficiency and velocity measurement error comparable to measurements for the single-phase flow images. Simultaneous measurement of the dispersed particle and the carrier flowfield velocities allowed for the calculation of instantaneous particle slip velocities, illustrating the algorithm's strength to robustly and accurately resolve polydispersed MPFs.

Performance characteristics of a slagging gasifier for MHD combustor systems

NASA Technical Reports Server (NTRS)

Smith, K. O.

1979-01-01

The performance of a two stage, coal combustor concept for magnetohydrodynamic (MHD) systems was investigated analytically. The two stage MHD combustor is comprised of an entrained flow, slagging gasifier as the first stage, and a gas phase reactor as the second stage. The first stage was modeled by assuming instantaneous coal devolatilization, and volatiles combustion and char gasification by CO2 and H2O in plug flow. The second stage combustor was modeled assuming adiabatic instantaneous gas phase reactions. Of primary interest was the dependence of char gasification efficiency on first stage particle residence time. The influence of first stage stoichiometry, heat loss, coal moisture, coal size distribution, and degree of coal devolatilization on gasifier performance and second stage exhaust temperature was determined. Performance predictions indicate that particle residence times on the order of 500 msec would be required to achieve gasification efficiencies in the range of 90 to 95 percent. The use of a finer coal size distribution significantly reduces the required gasifier residence time for acceptable levels of fuel use efficiency. Residence time requirements are also decreased by increased levels of coal devolatilization. Combustor design efforts should maximize devolatilization by minimizing mixing times associated with coal injection.

Mixed-phase aerosol particles

NASA Astrophysics Data System (ADS)

Corti, T.; Krieger, U. K.; Koop, T.; Peter, T.

2003-04-01

Within a liquid aerosol particle a solid phase may coexist with the liquid over a wide range of ambient conditions. The optical properties of such particles are of interest for a number of reasons. They will affect the scattering albedo of atmospheric aerosols, may cause depolarisation in lidar measurements, and potentially open a window for studying the internal morphology and physical properties (e.g. wetting properties, diffusion constants) of composite particles in laboratory experiments. In this contribution, we will present results of experimental and theoretical work on mixed-phase aerosol particles. The optical properties of mixed-phase particles depend on the location of the inclusion in the liquid phase, which is determined by the surface tensions of the involved interfaces. In the case of complete wetting, the energetically favoured position of the inclusion is in the volume of the liquid phase. For partial wetting, a position at the surface of the liquid phase is favoured, with the contact angle between the solid, liquid and air being described by Young's equation. For systems with small contact angles, the difference in energy between an inclusion situated at the droplets surface and in its volume may be so small that the thermal energy kT is sufficient to displace the inclusion from the droplet surface into its volume. The critical contact angle depends on the size of the inclusion and the droplet and ranges from 0.1 to 10 degrees. Examples of mixed-phase aerosol particles are aged soot particles and sea salt particles at low relative humidity. For aged soot, contact angles on sulphuric acid clearly above 10 degrees have been reported, so that soot inclusions are expected to be located at the surface of aerosol particles. For mixed-phase sea salt particles, consisting of a solid NaCl inclusion and an aqueous solution of mainly NaCl and MgCl2, our measurements on macroscopic NaCl crystals show a contact angle clearly below 10 degrees and possibly as low as 0.1 degrees. An experimental method - based on measuring photon count statistics - is developed to distinguish in single levitated aerosol particle whether a solid inclusion is located in the volume of the particle or at its surface.

Statistics of particle time-temperature histories.

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

Hewson, John C.; Lignell, David O.; Sun, Guangyuan

2014-10-01

Particles in non - isothermal turbulent flow are subject to a stochastic environment tha t produces a distribution of particle time - temperature histories. This distribution is a function of the dispersion of the non - isothermal (continuous) gas phase and the distribution of particles relative to that gas phase. In this work we extend the one - dimensional turbulence (ODT) model to predict the joint dispersion of a dispersed particle phase and a continuous phase. The ODT model predicts the turbulent evolution of continuous scalar fields with a model for the cascade of fluctuations to smaller sc ales (themore » 'triplet map') at a rate that is a function of the fully resolved one - dimens ional velocity field . Stochastic triplet maps also drive Lagrangian particle dispersion with finite Stokes number s including inertial and eddy trajectory - crossing effect s included. Two distinct approaches to this coupling between triplet maps and particle dispersion are developed and implemented along with a hybrid approach. An 'instantaneous' particle displacement model matches the tracer particle limit and provide s an accurate description of particle dispersion. A 'continuous' particle displacement m odel translates triplet maps into a continuous velocity field to which particles respond. Particles can alter the turbulence, and modifications to the stochastic rate expr ession are developed for two - way coupling between particles and the continuous phase. Each aspect of model development is evaluated in canonical flows (homogeneous turbulence, free - shear flows and wall - bounded flows) for which quality measurements are ava ilable. ODT simulations of non - isothermal flows provide statistics for particle heating. These simulations show the significance of accurately predicting the joint statistics of particle and fluid dispersion . Inhomogeneous turbulence coupled with the in fluence of the mean flow fields on particles of varying properties alter s particle dispersion. The joint particle - temperature dispersion leads to a distribution of temperature histories predicted by the ODT . Predictions are shown for the lower moments an d the full distributions of the particle positions, particle - observed gas temperatures and particle temperatures. An analysis of the time scales affecting particle - temperature interactions covers Lagrangian integral time scales based on temperature autoco rrelations, rates of temperature change associated with particle motion relative to the temperature field and rates of diffusional change of temperatures. These latter two time scales have not been investigated previously; they are shown to be strongly in termittent having peaked distributions with long tails. The logarithm of the absolute value of these time scales exhibits a distribution closer to normal. A cknowledgements This work is supported by the Defense Threat Reduction Agency (DTRA) under their Counter - Weapons of Mass Destruction Basic Research Program in the area of Chemical and Biological Agent Defeat under award number HDTRA1 - 11 - 4503I to Sandia National Laboratories. The authors would like to express their appreciation for the guidance provi ded by Dr. Suhithi Peiris to this project and to the Science to Defeat Weapons of Mass Destruction program.« less

Freezing Transition Studies Through Constrained Cell Model Simulation

NASA Astrophysics Data System (ADS)

Nayhouse, Michael; Kwon, Joseph Sang-Il; Heng, Vincent R.; Amlani, Ankur M.; Orkoulas, G.

2014-10-01

In the present work, a simulation method based on cell models is used to deduce the fluid-solid transition of a system of particles that interact via a pair potential, , which is of the form with . The simulations are implemented under constant-pressure conditions on a generalized version of the constrained cell model. The constrained cell model is constructed by dividing the volume into Wigner-Seitz cells and confining each particle in a single cell. This model is a special case of a more general cell model which is formed by introducing an additional field variable that controls the number of particles per cell and, thus, the relative stability of the solid against the fluid phase. High field values force configurations with one particle per cell and thus favor the solid phase. Fluid-solid coexistence on the isotherm that corresponds to a reduced temperature of 2 is determined from constant-pressure simulations of the generalized cell model using tempering and histogram reweighting techniques. The entire fluid-solid phase boundary is determined through a thermodynamic integration technique based on histogram reweighting, using the previous coexistence point as a reference point. The vapor-liquid phase diagram is obtained from constant-pressure simulations of the unconstrained system using tempering and histogram reweighting. The phase diagram of the system is found to contain a stable critical point and a triple point. The phase diagram of the corresponding constrained cell model is also found to contain both a stable critical point and a triple point.

Active matter beyond mean-field: ring-kinetic theory for self-propelled particles.

PubMed

Chou, Yen-Liang; Ihle, Thomas

2015-02-01

Recently, Hanke et al. [Phys. Rev. E 88, 052309 (2013)] showed that mean-field kinetic theory fails to describe collective motion in soft active colloids and that correlations must not be neglected. Correlation effects are also expected to be essential in systems of biofilaments driven by molecular motors and in swarms of midges. To obtain correlations in an active matter system from first principles, we derive a ring-kinetic theory for Vicsek-style models of self-propelled agents from the exact N-particle evolution equation in phase space. The theory goes beyond mean-field and does not rely on Boltzmann's approximation of molecular chaos. It can handle precollisional correlations and cluster formation, which are both important to understand the phase transition to collective motion. We propose a diagrammatic technique to perform a small-density expansion of the collision operator and derive the first two equations of the Bogoliubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy. An algorithm is presented that numerically solves the evolution equation for the two-particle correlations on a lattice. Agent-based simulations are performed and informative quantities such as orientational and density correlation functions are compared with those obtained by ring-kinetic theory. Excellent quantitative agreement between simulations and theory is found at not-too-small noises and mean free paths. This shows that there are parameter ranges in Vicsek-like models where the correlated closure of the BBGKY hierarchy gives correct and nontrivial results. We calculate the dependence of the orientational correlations on distance in the disordered phase and find that it seems to be consistent with a power law with an exponent around -1.8, followed by an exponential decay. General limitations of the kinetic theory and its numerical solution are discussed.

Realistic micromechanical modeling and simulation of two-phase heterogeneous materials

NASA Astrophysics Data System (ADS)

Sreeranganathan, Arun

This dissertation research focuses on micromechanical modeling and simulations of two-phase heterogeneous materials exhibiting anisotropic and non-uniform microstructures with long-range spatial correlations. Completed work involves development of methodologies for realistic micromechanical analyses of materials using a combination of stereological techniques, two- and three-dimensional digital image processing, and finite element based modeling tools. The methodologies are developed via its applications to two technologically important material systems, namely, discontinuously reinforced aluminum composites containing silicon carbide particles as reinforcement, and boron modified titanium alloys containing in situ formed titanium boride whiskers. Microstructural attributes such as the shape, size, volume fraction, and spatial distribution of the reinforcement phase in these materials were incorporated in the models without any simplifying assumptions. Instrumented indentation was used to determine the constitutive properties of individual microstructural phases. Micromechanical analyses were performed using realistic 2D and 3D models and the results were compared with experimental data. Results indicated that 2D models fail to capture the deformation behavior of these materials and 3D analyses are required for realistic simulations. The effect of clustering of silicon carbide particles and associated porosity on the mechanical response of discontinuously reinforced aluminum composites was investigated using 3D models. Parametric studies were carried out using computer simulated microstructures incorporating realistic microstructural attributes. The intrinsic merit of this research is the development and integration of the required enabling techniques and methodologies for representation, modeling, and simulations of complex geometry of microstructures in two- and three-dimensional space facilitating better understanding of the effects of microstructural geometry on the mechanical behavior of materials.

Particle dispersion and turbulence modification in a dilute mist non-isothermal turbulent flow downstream of a sudden pipe expansion

NASA Astrophysics Data System (ADS)

Terekhov, V. I.; Pakhomov, M. A.

2011-12-01

Flow, particles dispersion and heat transfer of dilute gas-droplet turbulent flow downstream of a pipe sudden expansion have been numerically investigated for the conditions of heated dry wall. An Euler two-fluid model with additional turbulence transport equations for gas and particulate phases was employed in the study. Gas phase turbulence was modelled using the elliptic blending Reynolds stress model of Fadai-Ghotbi et al. (2008). Two-way coupling is achieved between the dispersed and carrier phases. The partial equations of Reynolds stresses and temperature fluctuations, and the turbulent heat flux equations in dispersed phase by Zaichik (1999) were applied. Fine droplets get readily entrained with the detached flow, spread throughout the whole pipe cross-section. On the contrary, large particles, due to their inertia, do not appear in the recirculation zone and are presented only in the shear layer region. The presence of fine dispersed droplets in the flow attenuates the gas phase turbulence of up 25 %. Heat transfer in the mist flow increased (more than twice in comparison with the single-phase air flow). Intensification of heat transfer is observed both in the recirculation zone and flow development region in the case of fine particles. Large particles enhanced heat transfer only in the reattachment zone. Comparison between simulated results and experimental data of Hishida et al. (1995) for mist turbulent separated flow behind a backward-facing step shows quite good agreement.

Numerical Comparison of Nasal Aerosol Administration Systems for Efficient Nose-to-Brain Drug Delivery.

PubMed

Dong, Jingliang; Shang, Yidan; Inthavong, Kiao; Chan, Hak-Kim; Tu, Jiyuan

2017-12-29

Nose-to-brain drug administration along the olfactory and trigeminal nerve pathways offers an alternative route for the treatment of central nervous system (CNS) disorders. The characterization of particle deposition remains difficult to achieve in experiments. Alternative numerical approach is applied to identify suitable aerosol particle size with maximized inhaled doses. This study numerically compared the drug delivery efficiency in a realistic human nasal cavity between two aerosol drug administration systems targeting the olfactory region: the aerosol mask system and the breath-powered bi-directional system. Steady inhalation and exhalation flow rates were applied to both delivery systems. The discrete phase particle tracking method was employed to capture the aerosol drug transport and deposition behaviours in the nasal cavity. Both overall and regional deposition characteristics were analysed in detail. The results demonstrated the breath-powered drug delivery approach can produce superior olfactory deposition with peaking olfactory deposition fractions for diffusive 1 nm particles and inertial 10 μm. While for particles in the range of 10 nm to 2 μm, no significant olfactory deposition can be found, indicating the therapeutic agents should avoid this size range when targeting the olfactory deposition. The breath-powered bi-directional aerosol delivery approach shows better drug delivery performance globally and locally, and improved drug administration doses can be achieved in targeted olfactory region.

Impact of Aerosol Processing on Orographic Clouds

NASA Astrophysics Data System (ADS)

Pousse-Nottelmann, Sara; Zubler, Elias M.; Lohmann, Ulrike

2010-05-01

Aerosol particles undergo significant modifications during their residence time in the atmosphere. Physical processes like coagulation, coating and water uptake, and aqueous surface chemistry alter the aerosol size distribution and composition. At this, clouds play a primary role as physical and chemical processing inside cloud droplets contributes considerably to the changes in aerosol particles. A previous study estimates that on global average atmospheric particles are cycled three times through a cloud before being removed from the atmosphere [1]. An explicit and detailed treatment of cloud-borne particles has been implemented in the regional weather forecast and climate model COSMO-CLM. The employed model version includes a two-moment cloud microphysical scheme [2] that has been coupled to the aerosol microphysical scheme M7 [3] as described by Muhlbauer and Lohmann, 2008 [4]. So far, the formation, transfer and removal of cloud-borne aerosol number and mass were not considered in the model. Following the parameterization for cloud-borne particles developed by Hoose et al., 2008 [5], distinction between in-droplet and in-crystal particles is made to more physically account for processes in mixed-phase clouds, such as the Wegener-Bergeron-Findeisen process and contact and immersion freezing. In our model, this approach has been extended to allow for aerosol particles in five different hydrometeors: cloud droplets, rain drops, ice crystals, snow flakes and graupel. We account for nucleation scavenging, freezing and melting processes, autoconversion, accretion, aggregation, riming and selfcollection, collisions between interstitial aerosol particles and hydrometeors, ice multiplication, sedimentation, evaporation and sublimation. The new scheme allows an evaluation of the cloud cycling of aerosol particles by tracking the particles even when scavenged into hydrometeors. Global simulations of aerosol processing in clouds have recently been conducted by Hoose et al. [6]. Our investigation regarding the influence of aerosol processing will focus on the regional scale using a cloud-system resolving model with a much higher resolution. Emphasis will be placed on orographic mixed-phase precipitation. Different two-dimensional simulations of idealized orographic clouds will be conducted to estimate the effect of aerosol processing on orographic cloud formation and precipitation. Here, cloud lifetime, location and extent as well as the cloud type will be of particular interest. In a supplementary study, the new parameterization will be compared to observations of total and interstitial aerosol concentrations and size distribution at the remote high alpine research station Jungfraujoch in Switzerland. In addition, our simulations will be compared to recent simulations of aerosol processing in warm, mixed-phase and cold clouds, which have been carried out at the location of Jungfraujoch station [5]. References: [1] Pruppacher & Jaenicke (1995), The processing of water vapor and aerosols by atmospheric clouds, a global estimate, Atmos. Res., 38, 283295. [2] Seifert & Beheng (2006), A two-moment microphysics parameterization for mixed-phase clouds. Part 1: Model description, Meteorol. Atmos. Phys., 92, 4566. [3] Vignati et al. (2004), An efficient size-resolved aerosol microphysics module for large-scale transport models, J. Geophys. Res., 109, D22202 [4] Muhlbauer & Lohmann (2008), Sensitivity studies of the role of aerosols in warm-phase orographic precipitation in different flow regimes, J. Atmos. Sci., 65, 25222542. [5] Hoose et al. (2008), Aerosol processing in mixed-phase clouds in ECHAM5HAM: Model description and comparison to observations, J. Geophys. Res., 113, D071210. [6] Hoose et al. (2008), Global simulations of aerosol processing in clouds, Atmos. Chem. Phys., 8, 69396963.

Optical manifestation of the Stoner ferromagnetic transition in two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Van'kov, A. B.; Kaysin, B. D.; Kukushkin, I. V.

2017-12-01

We perform a magneto-optical study of a two-dimensional electron systems in the regime of the Stoner ferromagnetic instability for even quantum Hall filling factors on MgxZn1 -xO /ZnO heterostructures. Under conditions of Landau-level crossing, caused by enhanced spin susceptibility in combination with the tilting of the magnetic field, the transition between two rivaling phases, paramagnetic and ferromagnetic, is traced in terms of optical spectra reconstruction. Synchronous sharp transformations are observed both in the photoluminescence structure and parameters of collective excitations upon transition from paramagnetic to ferromagnetic ordering. Based on these measurements, a phase diagram is constructed in terms of the two-dimensional electron density and tilt angle of the magnetic field. Apart from stable paramagnetic and ferromagnetic phases, an instability region is found at intermediate parameters with the Stoner transition occurring at ν ≈2 . The spin configuration in all cases is unambiguously determined by means of inelastic light scattering by spin-sensitive collective excitations. One indicator of the spin ordering is the intra-Landau-level spin exciton, which acquires a large spectral weight in the ferromagnetic phases. The other is an abrupt energy shift of the intersubband charge density excitation due to reconstruction of the many-particle energy contribution. From our analysis of photoluminescence and light scattering data, we estimate the ratio of surface areas occupied by the domains of the two phases in the vicinity of a transition point. In addition, the thermal smearing of a phase transition is characterized.

The frequency-dependent response of single aerosol particles to vapour phase oscillations and its application in measuring diffusion coefficients

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

Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.

A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less

The frequency-dependent response of single aerosol particles to vapour phase oscillations and its application in measuring diffusion coefficients

DOE PAGES

Preston, Thomas C.; Davies, James F.; Wilson, Kevin R.

2017-01-13

A new method for measuring diffusion in the condensed phase of single aerosol particles is proposed and demonstrated. The technique is based on the frequency-dependent response of a binary particle to oscillations in the vapour phase of one of its chemical components. Here, we discuss how this physical situation allows for what would typically be a non-linear boundary value problem to be approximately reduced to a linear boundary value problem. For the case of aqueous aerosol particles, we investigate the accuracy of the closed-form analytical solution to this linear problem through a comparison with the numerical solution of the fullmore » problem. Then, using experimentally measured whispering gallery modes to track the frequency-dependent response of aqueous particles to relative humidity oscillations, we determine diffusion coefficients as a function of water activity. The measured diffusion coefficients are compared to previously reported values found using the two common experiments: (i) the analysis of the sorption/desorption of water from a particle after a step-wise change to the surrounding relative humidity and (ii) the isotopic exchange of water between a particle and the vapour phase. The technique presented here has two main strengths: first, when compared to the sorption/desorption experiment, it does not require the numerical evaluation of a boundary value problem during the fitting process as a closed-form expression is available. Second, when compared to the isotope exchange experiment, it does not require the use of labeled molecules. Therefore, the frequency-dependent experiment retains the advantages of these two commonly used methods but does not suffer from their drawbacks.« less

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.

On the peculiarities of LDA method in two-phase flows with high concentrations of particles

NASA Astrophysics Data System (ADS)

Poplavski, S. V.; Boiko, V. M.; Nesterov, A. U.

2016-10-01

Popular applications of laser Doppler anemometry (LDA) in gas dynamics are reviewed. It is shown that the most popular method cannot be used in supersonic flows and two-phase flows with high concentrations of particles. A new approach to implementation of the known LDA method based on direct spectral analysis, which offers better prospects for such problems, is presented. It is demonstrated that the method is suitable for gas-liquid jets. Owing to the progress in laser engineering, digital recording of spectra, and computer processing of data, the method is implemented at a higher technical level and provides new prospects of diagnostics of high-velocity dense two-phase flows.

[Properties of synthesized CdS nanoparticles by reverse micelle method].

PubMed

Li, Heng-Da; Wang, Qing-Wei; Zhai, Hong-Ju; Li, Wen-Lian

2008-07-01

Micelle system with reverse phase (water/CTAB/n-hexyl alcohol/n-heptane) is a weenie liquid-globelet of surface active agent molecule which can be stably and uniformly dispersed in continuous oil medium. The micelle system with reverse phase can work as a "micro-reactor" to synthesize CdS nano-particle with excellent performance. In the present article considering the effects of W value (W= [water]/[surface agent]) of the micelle system with reverse phase, we observed that the ratio of [Cd2+] and [S2-] ions to the original concentrations of the Cd2+ and S2- ions can affect the luminescent properties of CdS nano-particle. Using regurgitant treatment process the surface of CdS nano-particle can be modified, and as a result the defect emission was reduced and even disappeared, but exciton emissions markedly increased. On the other hand, a red-shift of the exciton emission peak with the increase in the particle size was observed, indicating considerable quantum confinement effect. A maximum quantum efficiency of 11% for the synthesized CdS nano-material was achieved.

Scaling and modeling of turbulent suspension flows

NASA Technical Reports Server (NTRS)

Chen, C. P.

1989-01-01

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

Tracking and data system support for the Pioneer project. Pioneers 6-9, extended missions: 1 July 1972 - 1 July 1973, volume 12

NASA Technical Reports Server (NTRS)

Miller, R. B.

1974-01-01

The Tracking and Data System supported the deep space phases of the Pioneer 6, 7, 8, and 9 missions, with two spacecraft in an inward trajectory and two spacecraft in an outward trajectory from the earth in heliocentric orbits. During the period of this report, scientific instruments aboard each of the spacecraft continued to register information relative to interplanetary particles and fields, and radiometric data generated by the network continued to contribute to knowledge of the celestial mechanics of the solar system. In addition, to network support activity detail, network performance and special support activities are covered.

Tracking and data system support for the pioneer project. Volume 11 Pioneers 6-9. Extended missions: 1 July 1971 - 1 July 1973

NASA Technical Reports Server (NTRS)

Renzetti, N. A.; Siegmeth, A. J.

1973-01-01

The Tracking and Data System supported the deep space phases of the Pioneer 6, 7, 8, and 9 missions, with two spacecraft in an inward trajectory and two spacecraft in an outward trajectory from the earth in heliocentric orbits. Scientific instruments aboard each of the spacecraft continued to register information relative to interplanetary particles and fields, and radio metric data generated by the network continued to improve our knowledge of the celestial mechanics of the solar system. In addition to network support activity detail, network performance and special support activities are covered.

Fly ash reinforced thermoplastic vulcanizates obtained from waste tire powder.

PubMed

Sridhar, V; Xiu, Zhang Zhen; Xu, Deng; Lee, Sung Hyo; Kim, Jin Kuk; Kang, Dong Jin; Bang, Dae-Suk

2009-03-01

Novel thermoplastic composites made from two major industrial and consumer wastes, fly ash and waste tire powder, have been developed. The effect of increasing fly ash loadings on performance characteristics such as tensile strength, thermal, dynamic mechanical and magnetic properties has been investigated. The morphology of the blends shows that fly ash particles have more affinity and adhesion towards the rubbery phase when compared to the plastic phase. The fracture surface of the composites shows extensive debonding of fly ash particles. Thermal analysis of the composites shows a progressive increase in activation energy with increase in fly ash loadings. Additionally, morphological studies of the ash residue after 90% thermal degradation shows extensive changes occurring in both the polymer and filler phases. The processing ability of the thermoplastics has been carried out in a Monsanto processability testing machine as a function of shear rate and temperature. Shear thinning behavior, typical of particulate polymer systems, has been observed irrespective of the testing temperatures. Magnetic properties and percolation behavior of the composites have also been evaluated.

Encoding the structure of many-body localization with matrix product operators

NASA Astrophysics Data System (ADS)

Pekker, David; Clark, Bryan K.

2015-03-01

Anderson insulators are non-interacting disordered systems which have localized single particle eigenstates. The interacting analogue of Anderson insulators are the Many-Body Localized (MBL) phases. The natural language for representing the spectrum of the Anderson insulator is that of product states over the single-particle modes. We show that product states over Matrix Product Operators of small bond dimension is the corresponding natural language for describing the MBL phases. In this language all of the many-body eigenstates are encode by Matrix Product States (i.e. DMRG wave function) consisting of only two sets of low bond-dimension matrices per site: the Gi matrix corresponding to the local ground state on site i and the Ei matrix corresponding to the local excited state. All 2 n eigenstates can be generated from all possible combinations of these matrices.

Particle clustering within a two-phase turbulent pipe jet

NASA Astrophysics Data System (ADS)

Lau, Timothy; Nathan, Graham

2016-11-01

A comprehensive study of the influence of Stokes number on the instantaneous distributions of particles within a well-characterised, two-phase, turbulent pipe jet in a weak co-flow was performed. The experiments utilised particles with a narrow size distribution, resulting in a truly mono-disperse particle-laden jet. The jet Reynolds number, based on the pipe diameter, was in the range 10000 <= ReD <= 40000 , while the exit Stokes number was in the range 0 . 3 <= SkD <= 22 . 4 . The particle mass loading was fixed at ϕ = 0 . 4 , resulting in a flow that was in the two-way coupling regime. Instantaneous particle distributions within a two-dimensional sheet was measured using planar nephelometry while particle clusters were identified and subsequently characterised using an in-house developed technique. The results show that particle clustering is significantly influenced by the exit Stokes number. Particle clustering was found to be significant for 0 . 3 <= SkD <= 5 . 6 , with the degree of clustering increasing as SkD is decreased. The clusters, which typically appeared as filament-like structures with high aspect ratio oriented at oblique angles to the flow, were measured right from the exit plane, suggesting that they were generated inside the pipe. The authors acknowledge the financial contributions by the Australian Research Council (Grant No. DP120102961) and the Australian Renewable Energy Agency (Grant No. USO034).

Coupling of organic and inorganic aerosol systems and the effect on gas–particle partitioning in the southeastern US

PubMed Central

Pye, Havala O. T.; Zuend, Andreas; Fry, Juliane L.; Isaacman-VanWertz, Gabriel; Capps, Shannon L.; Appel, K. Wyat; Foroutan, Hosein; Xu, Lu; Ng, Nga L.; Goldstein, Allen H.

2018-01-01

Several models were used to describe the partitioning of ammonia, water, and organic compounds between the gas and particle phases for conditions in the southeastern US during summer 2013. Existing equilibrium models and frameworks were found to be sufficient, although additional improvements in terms of estimating pure-species vapor pressures are needed. Thermodynamic model predictions were consistent, to first order, with a molar ratio of ammonium to sulfate of approximately 1.6 to 1.8 (ratio of ammonium to 2× sulfate, RN/2S ≈ 0.8 to 0.9) with approximately 70% of total ammonia and ammonium (NHx) in the particle. Southeastern Aerosol Research and Characterization Network (SEARCH) gas and aerosol and Southern Oxidant and Aerosol Study (SOAS) Monitor for AeRosols and Gases in Ambient air (MARGA) aerosol measurements were consistent with these conditions. CMAQv5.2 regional chemical transport model predictions did not reflect these conditions due to a factor of 3 overestimate of the nonvolatile cations. In addition, gas-phase ammonia was overestimated in the CMAQ model leading to an even lower fraction of total ammonia in the particle. Chemical Speciation Network (CSN) and aerosol mass spectrometer (AMS) measurements indicated less ammonium per sulfate than SEARCH and MARGA measurements and were inconsistent with thermodynamic model predictions. Organic compounds were predicted to be present to some extent in the same phase as inorganic constituents, modifying their activity and resulting in a decrease in [H+]air (H+ in μgm−3 air), increase in ammonia partitioning to the gas phase, and increase in pH compared to complete organic vs. inorganic liquid–liquid phase separation. In addition, accounting for nonideal mixing modified the pH such that a fully interactive inorganic–organic system had a pH roughly 0.7 units higher than predicted using traditional methods (pH = 1.5 vs. 0.7). Particle-phase interactions of organic and inorganic compounds were found to increase partitioning towards the particle phase (vs. gas phase) for highly oxygenated (O : C≥0.6) compounds including several isoprene-derived tracers as well as levoglu-cosan but decrease particle-phase partitioning for low O: C, monoterpene-derived species.

Coupling of organic and inorganic aerosol systems and the effect on gas-particle partitioning in the southeastern US

NASA Astrophysics Data System (ADS)

Pye, Havala O. T.; Zuend, Andreas; Fry, Juliane L.; Isaacman-VanWertz, Gabriel; Capps, Shannon L.; Wyat Appel, K.; Foroutan, Hosein; Xu, Lu; Ng, Nga L.; Goldstein, Allen H.

2018-01-01

Several models were used to describe the partitioning of ammonia, water, and organic compounds between the gas and particle phases for conditions in the southeastern US during summer 2013. Existing equilibrium models and frameworks were found to be sufficient, although additional improvements in terms of estimating pure-species vapor pressures are needed. Thermodynamic model predictions were consistent, to first order, with a molar ratio of ammonium to sulfate of approximately 1.6 to 1.8 (ratio of ammonium to 2 × sulfate, RN/2S ≈ 0.8 to 0.9) with approximately 70 % of total ammonia and ammonium (NHx) in the particle. Southeastern Aerosol Research and Characterization Network (SEARCH) gas and aerosol and Southern Oxidant and Aerosol Study (SOAS) Monitor for AeRosols and Gases in Ambient air (MARGA) aerosol measurements were consistent with these conditions. CMAQv5.2 regional chemical transport model predictions did not reflect these conditions due to a factor of 3 overestimate of the nonvolatile cations. In addition, gas-phase ammonia was overestimated in the CMAQ model leading to an even lower fraction of total ammonia in the particle. Chemical Speciation Network (CSN) and aerosol mass spectrometer (AMS) measurements indicated less ammonium per sulfate than SEARCH and MARGA measurements and were inconsistent with thermodynamic model predictions. Organic compounds were predicted to be present to some extent in the same phase as inorganic constituents, modifying their activity and resulting in a decrease in [H+]air (H+ in µg m-3 air), increase in ammonia partitioning to the gas phase, and increase in pH compared to complete organic vs. inorganic liquid-liquid phase separation. In addition, accounting for nonideal mixing modified the pH such that a fully interactive inorganic-organic system had a pH roughly 0.7 units higher than predicted using traditional methods (pH = 1.5 vs. 0.7). Particle-phase interactions of organic and inorganic compounds were found to increase partitioning towards the particle phase (vs. gas phase) for highly oxygenated (O : C ≥ 0.6) compounds including several isoprene-derived tracers as well as levoglucosan but decrease particle-phase partitioning for low O : C, monoterpene-derived species.

Exploring the zone of anisotropy and broken symmetries in DNA-mediated nanoparticle crystallization.

PubMed

O'Brien, Matthew N; Girard, Martin; Lin, Hai-Xin; Millan, Jaime A; Olvera de la Cruz, Monica; Lee, Byeongdu; Mirkin, Chad A

2016-09-20

In this work, we present a joint experimental and molecular dynamics simulations effort to understand and map the crystallization behavior of polyhedral nanoparticles assembled via the interaction of DNA surface ligands. In these systems, we systematically investigated the interplay between the effects of particle core (via the particle symmetry and particle size) and ligands (via the ligand length) on crystallization behavior. This investigation revealed rich phase diagrams, previously unobserved phase transitions in polyhedral crystallization behavior, and an unexpected symmetry breaking in the ligand distribution on a particle surface. To understand these results, we introduce the concept of a zone of anisotropy, or the portion of the phase space where the anisotropy of the particle is preserved in the crystallization behavior. Through comparison of the zone of anisotropy for each particle we develop a foundational roadmap to guide future investigations.

Aqueous Colloid + Polymer Depletion System for Confocal Microscopy and Rheology

NASA Astrophysics Data System (ADS)

Park, Nayoung; Umanzor, Esmeralda J.; Conrad, Jacinta C.

2018-05-01

We developed a model depletion system with colloidal particles that were refractive index- and density-matched to 80 (w/w)% glycerol in water, and characterized the effect of interparticle interactions on the structure and dynamics of non-equilibrium phases. 2,2,2-trifluoroethyl methacrylate-co-tert-butyl methacrylate copolymer particles were synthesized following Kodger et al. (Sci. Rep. 5, 14635 (2015)). Particles were dispersed in glycerol/water solutions to generate colloidal suspensions with good control over electrostatic interactions and a moderately high background viscosity of 55 mPa-s. To probe the effects of charge screening and depletion attractions on the suspension phase behavior, we added NaCl and polyacrylamide (M_w = 186 kDa) at various concentrations to particle suspensions formulated at volume fractions of phi = 0.05 and 0.3 and imaged the suspensions using confocal microscopy. The particles were nearly hard spheres at a NaCl concentration of 20 mM, but aggregated when the concentration of NaCl was further increased. Changes in the particle structure and dynamics with increasing concentration of the depletant polyacrylamide followed the trends expected from earlier experiments on depletion-driven gelation. Additionally, we measured the viscosity and corrected first normal stress difference of suspensions formulated at phi = 0.4 with and without added polymer. The solvent viscosity was suitable for rheology measurements without the onset of instabilities such as secondary flows or edge fracture. These results validate this system as an alternative to one common model system, suspensions of poly(methyl methacrylate) particles and polystyrene depletants in organic solvents, for investigating phase behavior and flow properties in attractive colloidal suspensions.

Humidity influence on gas-particle phase partitioning of α-pinene + O3 secondary organic aerosol

NASA Astrophysics Data System (ADS)

Prisle, N. L.; Engelhart, G. J.; Bilde, M.; Donahue, N. M.

2010-01-01

Water vapor uptake to particles could potentially affect organic-aerosol mass in three ways: first, water in the organic phase could reduce organic (equilibrium) partial pressures according to Raoult's law; second, an aqueous phase could attract water soluble organics according to Henry's law; finally, deliquescence of inorganic particle cores could mix the organic and inorganic particle phases, significantly diluting the organics and again reducing organic partial pressures according to Raoult's law. We present experiments using initially dry α-pinene + ozone secondary organic aerosol (SOA) on ammonium sulfate (AS) seeds at atmospheric concentrations in a smog chamber. After SOA formation, the chamber relative humidity is increased steadily by addition of steam to near 100%. Little subsequent SOA mass growth is observed, suggesting that none of these potential effects play a strong role in this system.

Dependence of charge transfer phenomena during solid-air two-phase flow on particle disperser

NASA Astrophysics Data System (ADS)

Tanoue, Ken-ichiro; Suedomi, Yuuki; Honda, Hirotaka; Furutani, Satoshi; Nishimura, Tatsuo; Masuda, Hiroaki

2012-12-01

An experimental investigation of the tribo-electrification of particles has been conducted during solid-air two-phase turbulent flow. The current induced in a metal plate by the impact of polymethylmethacrylate (PMMA) particles in a high-speed air flow was measured for two different plate materials. The results indicated that the contact potential difference between the particles and a stainless steel plate was positive, while for a nickel plate it was negative. These results agreed with theoretical contact charge transfer even if not only the particle size but also the kind of metal plate was changed. The specific charge of the PMMA particles during solid-air two-phase flow using an ejector, a stainless steel branch pipe, and a stainless steel straight pipe was measured using a Faraday cage. Although the charge was negative in the ejector, the particles had a positive specific charge at the outlet of the branch pipe, and this positive charge increased in the straight pipe. The charge decay along the flow direction could be reproduced by the charging and relaxation theory. However, the proportional coefficients in the theory changed with the particle size and air velocity. Therefore, an unexpected charge transfer occurred between the ejector and the branch pipe, which could not be explained solely by the contact potential difference. In the ejector, an electrical current in air might have been produced by self-discharge of particles with excess charge between the nickel diffuser in the ejector and the stainless steel nozzle or the stainless steel pipe due to a reversal in the contact potential difference between the PMMA and the stainless steel. The sign of the current depended on the particle size, possibly because the position where the particles impacted depended on their size. When dual coaxial glass pipes were used as a particle disperser, the specific charge of the PMMA particles became more positive along the particle flow direction due to the contact potential difference between the PMMA and the stainless steel. Furthermore, the current in air using the dual coaxial glass pipes was less than that using the ejector.

A multilevel simulation approach to derive the slip boundary condition of the solid phase in two-fluid models

NASA Astrophysics Data System (ADS)

Feng, Zhi-Gang; Michaelides, Efstathios; Mao, Shaolin

2011-11-01

The simulation of particulate flows for industrial applications often requires the use of a two-fluid model (TFM), where the solid particles are considered as a separate continuous phase. One of the underlining uncertainties in the use of aTFM in multiphase computations comes from the boundary condition of the solid phase. The no-slip condition at a solid boundary is not a valid assumption for the solid phase. Instead, several researchers advocate a slip condition as a more appropriate boundary condition. However, the question on the selection of an exact slip length or a slip velocity coefficient is still unanswered. In the present work we propose a multilevel simulation approach to compute the slip length that is applicable to a TFM. We investigate the motion of a number of particles near a vertical solid wall, while the particles are in fluidization using a direct numerical simulation (DNS); the positions and velocities of the particles are being tracked and analyzed at each time step. It is found that the time- and vertical-space averaged values of the particle velocities converge, yielding velocity profiles that can be used to deduce the particle slip length close to a solid wall. This work was supported by a grant from the DOE-NETL (DE-NT0008064) and by a grant from NSF (HRD-0932339).

Two-Fluid Models and Interfacial Area Transport in Microgravity Condition

NASA Technical Reports Server (NTRS)

Ishii, Mamoru; Sun, Xiao-Dong; Vasavada, Shilp

2004-01-01

The objective of the present study is to develop a two-fluid model formulation with interfacial area transport equation applicable for microgravity conditions. The new model is expected to make a leapfrog improvement by furnishing the constitutive relations for the interfacial interaction terms with the interfacial area transport equation, which can dynamically model the changes of the interfacial structures. In the first year of this three-year project supported by the U.S. NASA, Office of Biological and Physics Research, the primary focus is to design and construct a ground-based, microgravity two-phase flow simulation facility, in which two immiscible fluids with close density will be used. In predicting the two-phase flow behaviors in any two-phase flow system, the interfacial transfer terms are among the most essential factors in the modeling. These interfacial transfer terms in a two-fluid model specify the rate of phase change, momentum exchange, and energy transfer at the interface between the two phases. For the two-phase flow under the microgravity condition, the stability of the fluid particle interface and the interfacial structures are quite different from those under normal gravity condition. The flow structure may not reach an equilibrium condition and the two fluids may be loosely coupled such that the inertia terms of each fluid should be considered separately by use of the two-fluid model. Previous studies indicated that, unless phase-interaction terms are accurately modeled in the two-fluid model, the complex modeling does not necessarily warrant an accurate solution.

Systems and methods for creation of conducting networks of magnetic particles through dynamic self-assembly process

DOEpatents

Snezhko, Oleksiy [Woodridge, IL; Aronson, Igor [Darien, IL; Kwok, Wai-Kwong [Downers Grove, IL

2011-01-25

Self-assembly of magnetic microparticles in AC magnetic fields. Excitation of the system by an AC magnetic field provides a variety of patterns that can be controlled by adjusting the frequency and the amplitude of the field. At low particle densities the low-frequency magnetic excitation favors cluster phase formation, while high frequency excitation favors chains and netlike structures. For denser configurations, an abrupt transition to the network phase was obtained.

Effect of interactions for one-dimensional asymmetric exclusion processes under periodic and bath-adapted coupling environment

NASA Astrophysics Data System (ADS)

Midha, Tripti; Kolomeisky, Anatoly B.; Gupta, Arvind Kumar

2018-04-01

Stimulated by the effect of the nearest neighbor interactions in vehicular traffic and motor proteins, we study a 1D driven lattice gas model, in which the nearest neighbor particle interactions are taken in accordance with the thermodynamic concepts. The non-equilibrium steady-state properties of the system are analyzed under both open and periodic boundary conditions using a combination of cluster mean-field analysis and Monte Carlo simulations. Interestingly, the fundamental diagram of current versus density shows a complex behavior with a unimodal dependence for attractions and weak repulsions that turns into the bimodal behavior for stronger repulsive interactions. Specific details of system-reservoir coupling for the open system have a strong effect on the stationary phases. We produce the steady-state phase diagrams for the bulk-adapted coupling to the reservoir using the minimum and maximum current principles. The strength and nature of interaction energy has a striking influence on the number of stationary phases. We observe that interactions lead to correlations having a strong impact on the system dynamical properties. The correlation between any two sites decays exponentially as the distance between the sites increases. Moreover, they are found to be short-range for repulsions and long-range for attractions. Our results also suggest that repulsions and attractions asymmetrically modify the dynamics of interacting particles in exclusion processes.

Method for the preparation of metal colloids in inverse micelles and product preferred by the method

DOEpatents

Wilcoxon, Jess P.

1992-01-01

A method is provided for preparing catalytic elemental metal colloidal particles (e.g. gold, palladium, silver, rhodium, iridium, nickel, iron, platinum, molybdenum) or colloidal alloy particles (silver/iridium or platinum/gold). A homogeneous inverse micelle solution of a metal salt is first formed in a metal-salt solvent comprised of a surfactant (e.g. a nonionic or cationic surfactant) and an organic solvent. The size and number of inverse micelles is controlled by the proportions of the surfactant and the solvent. Then, the metal salt is reduced (by chemical reduction or by a pulsed or continuous wave UV laser) to colloidal particles of elemental metal. After their formation, the colloidal metal particles can be stabilized by reaction with materials that permanently add surface stabilizing groups to the surface of the colloidal metal particles. The sizes of the colloidal elemental metal particles and their size distribution is determined by the size and number of the inverse micelles. A second salt can be added with further reduction to form the colloidal alloy particles. After the colloidal elemental metal particles are formed, the homogeneous solution distributes to two phases, one phase rich in colloidal elemental metal particles and the other phase rich in surfactant. The colloidal elemental metal particles from one phase can be dried to form a powder useful as a catalyst. Surfactant can be recovered and recycled from the phase rich in surfactant.

Distribution and transport of polychlorinated biphenyls and associated particulates in the Milwaukee River System, Wisconsin, 1993-95

USGS Publications Warehouse

Steuer, Jeffrey S.; Fitzgerald, Sharon A.; Hall, David W.

1999-01-01

The distribution and transport of polychlorinated biphenyl (PCB) congeners were determined at various sites on Cedar Creek and its receiving stream, the Milwaukee River. PCB congener distributions were determined in the operationally defined dissolved phase, suspended-particle phase, and surficial bed sediments (0?2 centimeters depth). At most sites, the relative abundances of PCB congeners in the suspended particles and surficial bed sediments were similar to each other, and in some cases, to known Aroclor mixtures (1242 and 1260). Dissolved PCB congener distributions were higher in the less chlorinated congeners as predicted by their lower hydrophobicity and higher solubility. Log partition coefficients for the dissolved and the particle-associated organic carbon phases ranged from 5.0 to 5.8 and 6.5 to 7.5, respectively, for SPCB?s (congener summation). Particle-associated PCB?s exhibited two patterns: (1) a general increase in spring and summer associated with algal growth and, (2) episodic increases associated with resuspension of bed sediments during storms. Total suspended solids loads in water year 1994 ranged from 8,700 tons at Pioneer Road to 15,800 tons at Estabrook Park. PCB loads decreased from Highland Road (3.7 kilograms) to Pioneer Road (1.8 kilograms) from August 1994 to August 1995, indicating PCB deposition between those sites. PCB transport at Estabrook Park was 8 to 16 kilograms during this same time period.

Numerical simulation of flow and melting characteristics of seawater-ice crystals two-phase flow in inlet straight pipe of shell and tube heat exchanger of polar ship

NASA Astrophysics Data System (ADS)

Xu, Li; Huang, Chang-Xu; Huang, Zhen-Fei; Sun, Qiang; Li, Jie

2018-05-01

The ice crystal particles are easy to enter into the seawater cooling system of polar ship together with seawater when it sails in the Arctic. They are easy to accumulate in the pipeline, causing serious blockage of the cooling pipe. In this study, the flow and melting characteristics of ice particles-seawater two-phase flow in inlet straight pipe of shell-and-tube heat exchanger were numerically simulated by using Eulerian-Eulerian two-fluid model coupled with the interphase heat and mass transfer model. The influences of inlet ice packing factor, ice crystal particle diameter, and inlet velocity on the distribution and melting characteristics of ice crystals were investigated. The degree of asymmetry of the distribution of ice crystals in the cross section decreases gradually when the IPF changes from 5 to 15%. The volume fractions of ice crystals near the top of the outlet cross section are 19.59, 19.51, and 22.24% respectively for ice packing factor of 5, 10 and 15%. When the particle diameter is 0.5 mm, the ice crystals are gradually stratified during the flow process. With particle diameters of 1.0 and 2.0 mm, the region with the highest volume fraction of ice crystals is a small circle and the contours in the cloud map are compact. The greater the inlet flow velocity, the less stratified the ice crystals and the more obvious the turbulence on the outlet cross section. The average volume fraction of ice crystals along the flow direction is firstly rapidly reduced and then stabilized after 300 mm.

Light scattering by tenuous particles - A generalization of the Rayleigh-Gans-Rocard approach

NASA Technical Reports Server (NTRS)

Acquista, C.

1976-01-01

We consider scattering by arbitrarily shaped particles that satisfy two conditions: (1) that the polarizability of the particle relative to the ambient medium be small compared to 1 and (2) that the phase shift introduced by the particle be less than 2. We solve the integro-differential equation proposed by Shifrin by using the method of successive iterations and then applying a Fourier transform. For the second iteration, results are presented that accurately describe scattering by a broad class of particles. The phase function and other elements of the scattering matrix are shown to be in excellent agreement with Mie theory for spherical scatterers.

Role of cell deformability in the two-dimensional melting of biological tissues

NASA Astrophysics Data System (ADS)

Li, Yan-Wei; Ciamarra, Massimo Pica

2018-04-01

The size and shape of a large variety of polymeric particles, including biological cells, star polymers, dendrimes, and microgels, depend on the applied stresses as the particles are extremely soft. In high-density suspensions these particles deform as stressed by their neighbors, which implies that the interparticle interaction becomes of many-body type. Investigating a two-dimensional model of cell tissue, where the single particle shear modulus is related to the cell adhesion strength, here we show that the particle deformability affects the melting scenario. On increasing the temperature, stiff particles undergo a first-order solid/liquid transition, while soft ones undergo a continuous solid/hexatic transition followed by a discontinuous hexatic/liquid transition. At zero temperature the melting transition driven by the decrease of the adhesion strength occurs through two continuous transitions as in the Kosterlitz, Thouless, Halperin, Nelson, and Young scenario. Thus, there is a range of adhesion strength values where the hexatic phase is stable at zero temperature, which suggests that the intermediate phase of the epithelial-to-mesenchymal transition could be hexatic type.

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

DOE PAGES

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen; ...

2017-10-30

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

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

Hong, Liang; Li, Linsen; Chen-Wiegart, Yuchen-Karen

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less

Two-dimensional lithium diffusion behavior and probable hybrid phase transformation kinetics in olivine lithium iron phosphate

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

Hong, Liang; Chen-Wiegart, Yu-Chen K.

2017-10-30

Olivine lithium iron phosphate is a technologically important electrode material for lithium-ion batteries and a model system for studying electrochemically driven phase transformations. Despite extensive studies, many aspects of the phase transformation and lithium transport in this material are still not well understood. Here we combine operando hard X-ray spectroscopic imaging and phase-field modeling to elucidate the delithiation dynamics of single-crystal lithium iron phosphate microrods with long-axis along the [010] direction. Lithium diffusivity is found to be two-dimensional in microsized particles containing ~3%lithium-iron anti-site defects. Our study provides direct evidence for the previously predicted surface reaction-limited phase-boundary migration mechanism andmore » the potential operation of a hybrid mode of phase growth, in which phase-boundary movement is controlled by surface reaction or lithium diffusion in different crystallographic directions. These findings uncover the rich phase-transformation behaviors in lithium iron phosphate and intercalation com-pounds in general and can help guide the design of better electrodes.« less

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

NASA Astrophysics Data System (ADS)

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

2011-10-01

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

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

NASA Astrophysics Data System (ADS)

Balakrishnan, Kaushik

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

Phase and vacancy behaviour of hard "slanted" cubes

NASA Astrophysics Data System (ADS)

van Damme, R.; van der Meer, B.; van den Broeke, J. J.; Smallenburg, F.; Filion, L.

2017-09-01

We use computer simulations to study the phase behaviour for hard, right rhombic prisms as a function of the angle of their rhombic face (the "slant" angle). More specifically, using a combination of event-driven molecular dynamics simulations, Monte Carlo simulations, and free-energy calculations, we determine and characterize the equilibrium phases formed by these particles for various slant angles and densities. Surprisingly, we find that the equilibrium crystal structure for a large range of slant angles and densities is the simple cubic crystal—despite the fact that the particles do not have cubic symmetry. Moreover, we find that the equilibrium vacancy concentration in this simple cubic phase is extremely high and depends only on the packing fraction and not the particle shape. At higher densities, a rhombic crystal appears as the equilibrium phase. We summarize the phase behaviour of this system by drawing a phase diagram in the slant angle-packing fraction plane.

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films

DOE PAGES

Breznay, Nicholas P.; Kapitulnik, Aharon

2017-09-15

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually “localize” into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field–tuned transition frommore » a true superconductor to a metallic phase with saturated resistivity. Lastly, this metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state.« less

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films

PubMed Central

Breznay, Nicholas P.; Kapitulnik, Aharon

2017-01-01

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually “localize” into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field–tuned transition from a true superconductor to a metallic phase with saturated resistivity. This metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state. PMID:28929135

Particle-hole symmetry reveals failed superconductivity in the metallic phase of two-dimensional superconducting films.

PubMed

Breznay, Nicholas P; Kapitulnik, Aharon

2017-09-01

Electrons confined to two dimensions display an unexpected diversity of behaviors as they are cooled to absolute zero. Noninteracting electrons are predicted to eventually "localize" into an insulating ground state, and it has long been supposed that electron correlations stabilize only one other phase: superconductivity. However, many two-dimensional (2D) superconducting materials have shown surprising evidence for metallic behavior, where the electrical resistivity saturates in the zero-temperature limit; the nature of this unexpected metallic state remains under intense scrutiny. We report electrical transport properties for two disordered 2D superconductors, indium oxide and tantalum nitride, and observe a magnetic field-tuned transition from a true superconductor to a metallic phase with saturated resistivity. This metallic phase is characterized by a vanishing Hall resistivity, suggesting that it retains particle-hole symmetry from the disrupted superconducting state.

Nanofluid two-phase flow and thermal physics: a new research frontier of nanotechnology and its challenges.

PubMed

Cheng, Lixin; Bandarra Filho, Enio P; Thome, John R

2008-07-01

Nanofluids are a new class of fluids engineered by dispersing nanometer-size solid particles in base fluids. As a new research frontier, nanofluid two-phase flow and thermal physics have the potential to improve heat transfer and energy efficiency in thermal management systems for many applications, such as microelectronics, power electronics, transportation, nuclear engineering, heat pipes, refrigeration, air-conditioning and heat pump systems. So far, the study of nanofluid two-phase flow and thermal physics is still in its infancy. This field of research provides many opportunities to study new frontiers but also poses great challenges. To summarize the current status of research in this newly developing interdisciplinary field and to identify the future research needs as well, this paper focuses on presenting a comprehensive review of nucleate pool boiling, flow boiling, critical heat flux, condensation and two-phase flow of nanofluids. Even for the limited studies done so far, there are some controversies. Conclusions and contradictions on the available nanofluid studies on physical properties, two-phase flow, heat transfer and critical heat flux (CHF) are presented. Based on a comprehensive analysis, it has been realized that the physical properties of nanofluids such as surface tension, liquid thermal conductivity, viscosity and density have significant effects on the nanofluid two-phase flow and heat transfer characteristics but the lack of the accurate knowledge of these physical properties has greatly limited the study in this interdisciplinary field. Therefore, effort should be made to contribute to the physical property database of nanofluids as a first priority. Secondly, in particular, research on nanofluid two-phase flow and heat transfer in microchannels should be emphasized in the future.

Collective motion of active Brownian particles with polar alignment.

PubMed

Martín-Gómez, Aitor; Levis, Demian; Díaz-Guilera, Albert; Pagonabarraga, Ignacio

2018-04-04

We present a comprehensive computational study of the collective behavior emerging from the competition between self-propulsion, excluded volume interactions and velocity-alignment in a two-dimensional model of active particles. We consider an extension of the active brownian particles model where the self-propulsion direction of the particles aligns with the one of their neighbors. We analyze the onset of collective motion (flocking) in a low-density regime (10% surface area) and show that it is mainly controlled by the strength of velocity-alignment interactions: the competition between self-propulsion and crowding effects plays a minor role in the emergence of flocking. However, above the flocking threshold, the system presents a richer pattern formation scenario than analogous models without alignment interactions (active brownian particles) or excluded volume effects (Vicsek-like models). Depending on the parameter regime, the structure of the system is characterized by either a broad distribution of finite-sized polar clusters or the presence of an amorphous, highly fluctuating, large-scale traveling structure which can take a lane-like or band-like form (and usually a hybrid structure which is halfway in between both). We establish a phase diagram that summarizes collective behavior of polar active brownian particles and propose a generic mechanism to describe the complexity of the large-scale structures observed in systems of repulsive self-propelled particles.

Ordering of two-dimensional crystals confined in strips of finite width

NASA Astrophysics Data System (ADS)

Ricci, A.; Nielaba, P.; Sengupta, S.; Binder, K.

2007-01-01

Monte Carlo simulations are used to study the effect of confinement on a crystal of point particles interacting with an inverse power law potential ∝r-12 in d=2 dimensions. This system can describe colloidal particles at the air-water interface, a model system for experimental study of two-dimensional melting. It is shown that the state of the system (a strip of width D ) depends very sensitively on the precise boundary conditions at the two “walls” providing the confinement. If one uses a corrugated boundary commensurate with the order of the bulk triangular crystalline structure, both orientational order and positional order is enhanced, and such surface-induced order persists near the boundaries also at temperatures where the system in the bulk is in its fluid state. However, using smooth repulsive boundaries as walls providing the confinement, only the orientational order is enhanced, but positional (quasi-)long range order is destroyed: The mean-square displacement of two particles n lattice parameters apart in the y direction along the walls then crosses over from the logarithmic increase (characteristic for d=2 ) to a linear increase with n (characteristic for d=1 ). The strip then exhibits a vanishing shear modulus. These results are interpreted in terms of a phenomenological harmonic theory. Also the effect of incommensurability of the strip width D with the triangular lattice structure is discussed, and a comparison with surface effects on phase transitions in simple Ising and XY models is made.

Anderson localization and Mott insulator phase in the time domain

PubMed Central

Sacha, Krzysztof

2015-01-01

Particles in space periodic potentials constitute standard models for investigation of crystalline phenomena in solid state physics. Time periodicity of periodically driven systems is a close analogue of space periodicity of solid state crystals. There is an intriguing question if solid state phenomena can be observed in the time domain. Here we show that wave-packets localized on resonant classical trajectories of periodically driven systems are ideal elements to realize Anderson localization or Mott insulator phase in the time domain. Uniform superpositions of the wave-packets form stationary states of a periodically driven particle. However, an additional perturbation that fluctuates in time results in disorder in time and Anderson localization effects emerge. Switching to many-particle systems we observe that depending on how strong particle interactions are, stationary states can be Bose-Einstein condensates or single Fock states where definite numbers of particles occupy the periodically evolving wave-packets. Our study shows that non-trivial crystal-like phenomena can be observed in the time domain. PMID:26074169

Critical point of gas-liquid type phase transition and phase equilibrium functions in developed two-component plasma model

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

Butlitsky, M. A.; Zelener, B. V.; Zelener, B. B.

A two-component plasma model, which we called a “shelf Coulomb” model has been developed in this work. A Monte Carlo study has been undertaken to calculate equations of state, pair distribution functions, internal energies, and other thermodynamics properties. A canonical NVT ensemble with periodic boundary conditions was used. The motivation behind the model is also discussed in this work. The “shelf Coulomb” model can be compared to classical two-component (electron-proton) model where charges with zero size interact via a classical Coulomb law. With important difference for interaction of opposite charges: electrons and protons interact via the Coulomb law for largemore » distances between particles, while interaction potential is cut off on small distances. The cut off distance is defined by an arbitrary ε parameter, which depends on system temperature. All the thermodynamics properties of the model depend on dimensionless parameters ε and γ = βe{sup 2}n{sup 1/3} (where β = 1/k{sub B}T, n is the particle's density, k{sub B} is the Boltzmann constant, and T is the temperature) only. In addition, it has been shown that the virial theorem works in this model. All the calculations were carried over a wide range of dimensionless ε and γ parameters in order to find the phase transition region, critical point, spinodal, and binodal lines of a model system. The system is observed to undergo a first order gas-liquid type phase transition with the critical point being in the vicinity of ε{sub crit}≈13(T{sub crit}{sup *}≈0.076),γ{sub crit}≈1.8(v{sub crit}{sup *}≈0.17),P{sub crit}{sup *}≈0.39, where specific volume v* = 1/γ{sup 3} and reduced temperature T{sup *} = ε{sup −1}.« less

Symmetry-protected topological phases of one-dimensional interacting fermions with spin-charge separation

NASA Astrophysics Data System (ADS)

Montorsi, Arianna; Dolcini, Fabrizio; Iotti, Rita C.; Rossi, Fausto

2017-06-01

The low energy behavior of a huge variety of one-dimensional interacting spinful fermionic systems exhibits spin-charge separation, described in the continuum limit by two sine-Gordon models decoupled in the charge and spin channels. Interaction is known to induce, besides the gapless Luttinger liquid phase, eight possible gapped phases, among which are the Mott, Haldane, charge-/spin-density, and bond-ordered wave insulators, and the Luther Emery liquid. Here we prove that some of these physically distinct phases have nontrivial topological properties, notably the presence of degenerate protected edge modes with fractionalized charge/spin. Moreover, we show that the eight gapped phases are in one-to-one correspondence with the symmetry-protected topological (SPT) phases classified by group cohomology theory in the presence of particle-hole symmetry P. The latter result is also exploited to characterize SPT phases by measurable nonlocal order parameters which follow the system evolution to the quantum phase transition. The implications on the appearance of exotic orders in the class of microscopic Hubbard Hamiltonians, possibly without P symmetry at higher energies, are discussed.

Geometrical Series and Phase Space in a Finite Oscillatory Motion

ERIC Educational Resources Information Center

Mareco, H. R. Olmedo

2006-01-01

This article discusses some interesting physical properties of oscillatory motion of a particle on two joined inclined planes. The geometrical series demonstrates that the particle will oscillate during a finite time. Another detail is the converging path to the origin of the phase space. Due to its simplicity, this motion may be used as a…

Toward the theory of fermionic condensation

NASA Astrophysics Data System (ADS)

Khodel, V. A.

2017-04-01

The diagrammatic technique elaborated by Belyaev for the theory of a Fermi liquid has been implemented to analyze the behavior of Fermi systems beyond the topological phase transition point, where the fermionic condensate appears. It has been shown that the inclusion of the interaction between the condensate and above-condensate particles leads to the emergence of a gap in the single-particle excitation spectrum of these particles even in the absence of Cooper pairing. Hence, the emergence of this gap in homogeneous electron systems of silicon field-effect structures leads to a metal-insulator phase transition rather than to superconductivity. It has been shown that the same interaction explains the nature of the Fermi arc structure in twodimensional electron systems of cuprates.

The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles

NASA Astrophysics Data System (ADS)

Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo

2018-04-01

Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.

Structural and phase transitions of one and two polymer mushrooms in poor solvent

NASA Astrophysics Data System (ADS)

Yang, Delian; Wang, Qiang

2014-05-01

Using the recently proposed fast lattice Monte Carlo (FLMC) simulations and the corresponding lattice self-consistent field (LSCF) calculations based on the same model system, where multiple occupancy of lattice sites is allowed [Q. Wang, Soft Matter 5, 4564 (2009); Q. Wang, Soft Matter 5, 6206 (2010)], we studied the coil-globule transition (CGT) of one-mushroom systems and the fused-separated transition (FST) of two-mushroom systems, where a polymer mushroom is formed by a group of n homopolymer chains each of N segments end-grafted at the same point onto a flat substrate and immersed in a poor solvent. With our soft potential that allows complete particle overlapping, LSCF theory neglecting the system fluctuations/correlations becomes exact in the limit of n → ∞, and FLMC results approach LSCF predictions with increasing n. Using LSCF calculations, we systematically constructed the phase diagrams of one- and two-mushroom systems. A second-order symmetric-asymmetric transition (SAT) was found in the globule state of one-mushroom systems, where the rotational symmetry around the substrate normal passing through the grafting point is broken in each individual configuration but preserved by the degeneracy of different orientations of these asymmetric configurations. Three different states were also found in two-mushroom systems: separated coils, separated globules, and fused globule. We further studied the coupling between FST in two-mushroom systems and CGT and SAT of each mushroom. Finally, direct comparisons between our simulation and theoretical results, without any parameter-fitting, unambiguously and quantitatively revealed the fluctuation/correlation effects on these phase transitions.

Quantum phases of dipolar soft-core bosons

NASA Astrophysics Data System (ADS)

Grimmer, D.; Safavi-Naini, A.; Capogrosso-Sansone, B.; Söyler, Ş. G.

2014-10-01

We study the phase diagram of a system of soft-core dipolar bosons confined to a two-dimensional optical lattice layer. We assume that dipoles are aligned perpendicular to the layer such that the dipolar interactions are purely repulsive and isotropic. We consider the full dipolar interaction and perform path-integral quantum Monte Carlo simulations using the worm algorithm. Besides a superfluid phase, we find various solid and supersolid phases. We show that, unlike what was found previously for the case of nearest-neighbor interaction, supersolid phases are stabilized by doping the solids not only with particles but with holes as well. We further study the stability of these quantum phases against thermal fluctuations. Finally, we discuss pair formation and the stability of the pair checkerboard phase formed in a bilayer geometry, and we suggest experimental conditions under which the pair checkerboard phase can be observed.

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.

Thermodynamic and Kinetic Properties of Shocks in Two-Dimensional Yukawa Systems [Thermodynamic and Kinetic Properties of Shocks in 2D Yukawa Systems

DOE PAGES

Marciante, Mathieu; Murillo, Michael Sean

2017-01-10

Particle-level simulations of shocked plasmas are carried out to examine kinetic properties not captured by hydrodynamic models. In particular, molecular dynamics simulations of 2D Yukawa plasmas with variable couplings and screening lengths are used to examine shock features unique to plasmas, including the presence of dispersive shock structures for weak shocks. A phase-space analysis reveals several kinetic properties, including anisotropic velocity distributions, non-Maxwellian tails, and the presence of fast particles ahead of the shock, even for moderately low Mach numbers. As a result, we also examine the thermodynamics (Rankine-Hugoniot relations) of recent experiments and find no anomalies in their equationsmore » of state.« less

Thermodynamic and Kinetic Properties of Shocks in Two-Dimensional Yukawa Systems [Thermodynamic and Kinetic Properties of Shocks in 2D Yukawa Systems

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

Marciante, Mathieu; Murillo, Michael Sean

Particle-level simulations of shocked plasmas are carried out to examine kinetic properties not captured by hydrodynamic models. In particular, molecular dynamics simulations of 2D Yukawa plasmas with variable couplings and screening lengths are used to examine shock features unique to plasmas, including the presence of dispersive shock structures for weak shocks. A phase-space analysis reveals several kinetic properties, including anisotropic velocity distributions, non-Maxwellian tails, and the presence of fast particles ahead of the shock, even for moderately low Mach numbers. As a result, we also examine the thermodynamics (Rankine-Hugoniot relations) of recent experiments and find no anomalies in their equationsmore » of state.« less

Simulation study on characteristics of long-range interaction in randomly asymmetric exclusion process

NASA Astrophysics Data System (ADS)

Zhao, Shi-Bo; Liu, Ming-Zhe; Yang, Lan-Ying

2015-04-01

In this paper we investigate the dynamics of an asymmetric exclusion process on a one-dimensional lattice with long-range hopping and random update via Monte Carlo simulations theoretically. Particles in the model will firstly try to hop over successive unoccupied sites with a probability q, which is different from previous exclusion process models. The probability q may represent the random access of particles. Numerical simulations for stationary particle currents, density profiles, and phase diagrams are obtained. There are three possible stationary phases: the low density (LD) phase, high density (HD) phase, and maximal current (MC) in the system, respectively. Interestingly, bulk density in the LD phase tends to zero, while the MC phase is governed by α, β, and q. The HD phase is nearly the same as the normal TASEP, determined by exit rate β. Theoretical analysis is in good agreement with simulation results. The proposed model may provide a better understanding of random interaction dynamics in complex systems. Project supported by the National Natural Science Foundation of China (Grant Nos. 41274109 and 11104022), the Fund for Sichuan Youth Science and Technology Innovation Research Team (Grant No. 2011JTD0013), and the Creative Team Program of Chengdu University of Technology.

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

Nakano, Yuki; Matsui, Tetsuo; Ishima, Takumi

We study the three-dimensional bosonic t-J model, that is, the t-J model of 'bosonic electrons' at finite temperatures. This model describes a system of an isotropic antiferromagnet with doped bosonic holes and is closely related to systems of two-component bosons in an optical lattice. The bosonic 'electron' operator B{sub x{sigma}} at the site x with a two-component spin {sigma}(=1,2) is treated as a hard-core boson operator and represented by a composite of two slave particles: a spinon described by a Schwinger boson (CP{sup 1} boson) z{sub x}{sigma} and a holon described by a hard-core-boson field {phi}{sub x} as B{sub x}{sigma}={phi}{submore » x}{sup {dagger}}z{sub x}{sigma}. By means of Monte Carlo simulations of this bosonic t-J model, we study its phase structure and the possible phenomena like appearance of antiferromagnetic long-range order, Bose-Einstein condensation, phase separation, etc. Obtained results show that the bosonic t-J model has a phase diagram that suggests some interesting implications for high-temperature superconducting materials.« less

Dynamics of two-phase interfaces and surface tensions: A density-functional theory perspective

NASA Astrophysics Data System (ADS)

Yatsyshin, Petr; Sibley, David N.; Duran-Olivencia, Miguel A.; Kalliadasis, Serafim

2016-11-01

Classical density functional theory (DFT) is a statistical mechanical framework for the description of fluids at the nanoscale, where the inhomogeneity of the fluid structure needs to be carefully accounted for. By expressing the grand free-energy of the fluid as a functional of the one-body density, DFT offers a theoretically consistent and computationally accessible way to obtain two-phase interfaces and respective interfacial tensions in a ternary solid-liquid-gas system. The dynamic version of DFT (DDFT) can be rigorously derived from the Smoluchowsky picture of the dynamics of colloidal particles in a solvent. It is generally agreed that DDFT can capture the diffusion-driven evolution of many soft-matter systems. In this context, we use DDFT to investigate the dynamic behaviour of two-phase interfaces in both equilibrium and dynamic wetting and discuss the possibility of defining a time-dependent surface tension, which still remains in debate. We acknowledge financial support from the European Research Council via Advanced Grant No. 247031 and from the Engineering and Physical Sciences Research Council of the UK via Grants No. EP/L027186 and EP/L020564.

Topological order and thermal equilibrium in polariton condensates

NASA Astrophysics Data System (ADS)

Caputo, Davide; Ballarini, Dario; Dagvadorj, Galbadrakh; Sánchez Muñoz, Carlos; de Giorgi, Milena; Dominici, Lorenzo; West, Kenneth; Pfeiffer, Loren N.; Gigli, Giuseppe; Laussy, Fabrice P.; Szymańska, Marzena H.; Sanvitto, Daniele

2018-02-01

The Berezinskii-Kosterlitz-Thouless phase transition from a disordered to a quasi-ordered state, mediated by the proliferation of topological defects in two dimensions, governs seemingly remote physical systems ranging from liquid helium, ultracold atoms and superconducting thin films to ensembles of spins. Here we observe such a transition in a short-lived gas of exciton-polaritons, bosonic light-matter particles in semiconductor microcavities. The observed quasi-ordered phase, characteristic for an equilibrium two-dimensional bosonic gas, with a decay of coherence in both spatial and temporal domains with the same algebraic exponent, is reproduced with numerical solutions of stochastic dynamics, proving that the mechanism of pairing of the topological defects (vortices) is responsible for the transition to the algebraic order. This is made possible thanks to long polariton lifetimes in high-quality samples and in a reservoir-free region. Our results show that the joint measurement of coherence both in space and time is required to characterize driven-dissipative phase transitions and enable the investigation of topological ordering in open systems.

Phase structuring in metal alloys: Ultrasound-assisted top-down approach to engineering of nanostructured catalytic materials.

PubMed

Cherepanov, Pavel V; Andreeva, Daria V

2017-03-01

High intensity ultrasound (HIUS) is a novel and efficient tool for top-down nanostructuring of multi-phase metal systems. Ultrasound-assisted structuring of the phase in metal alloys relies on two main mechanisms including interfacial red/ox reactions and temperature driven solid state phase transformations which affect surface composition and morphology of metals. Physical and chemical properties of sonication medium strongly affects the structuring pathways as well as morphology and composition of catalysts. HIUS can serve as a simple, fast, and effective approach for the tuning of structure and surface properties of metal particles, opening the new perspectives in design of robust and efficient catalysts. Copyright © 2016 Elsevier B.V. All rights reserved.

In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles

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

Zhong, Li; Liu, Yang; Han, Wei-Qiang

Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less

In Situ Observation of Single-Phase Lithium Intercalation in Sub-25-nm Nanoparticles

DOE PAGES

Zhong, Li; Liu, Yang; Han, Wei-Qiang; ...

2017-05-05

Although a non-equilibrium single-phase reaction, with the absence of nucleation and growth of a second phase, is believed to be a key factor for high-rate performance of lithium-ion batteries, it is thermodynamically unfavorable and usually proceeds in electrode materials with small particle sizes (tens of nanometers). Unfortunately, the phase evolutions inside such small particles are often shrouded by the macroscopic inhomogeneous reactions of electrodes containing millions of particles, leading to intensive debate over the size-dependent microscopic reaction mechanisms. Here, we provide a generally applicable methodology based on in-situ electron diffraction study on a multi-particle system to track the lithiation pathwaysmore » in individual nanoparticles, and unambiguously reveal that lithiation of anatase TiO 2, previously long believed to be biphasic, converts to a single-phase reaction when the particle size is below ~25 nm. Our results imply the prevalence of such a size-dependent transition in lithiation mechanism among intercalation compounds whose lithium miscibility gaps are associated with a prominent size effect, and therefore provide important guidelines for designing high-power electrodes, especially cathodes.« less

Mixing of secondary organic aerosols versus relative humidity

PubMed Central

Ye, Qing; Robinson, Ellis Shipley; Ding, Xiang; Ye, Penglin

2016-01-01

Atmospheric aerosols exert a substantial influence on climate, ecosystems, visibility, and human health. Although secondary organic aerosols (SOA) dominate fine-particle mass, they comprise myriad compounds with uncertain sources, chemistry, and interactions. SOA formation involves absorption of vapors into particles, either because gas-phase chemistry produces low-volatility or semivolatile products that partition into particles or because more-volatile organics enter particles and react to form lower-volatility products. Thus, SOA formation involves both production of low-volatility compounds and their diffusion into particles. Most chemical transport models assume a single well-mixed phase of condensing organics and an instantaneous equilibrium between bulk gas and particle phases; however, direct observations constraining diffusion of semivolatile organics into particles containing SOA are scarce. Here we perform unique mixing experiments between SOA populations including semivolatile constituents using quantitative, single-particle mass spectrometry to probe any mass-transfer limitations in particles containing SOA. We show that, for several hours, particles containing SOA from toluene oxidation resist exchange of semivolatile constituents at low relative humidity (RH) but start to lose that resistance above 20% RH. Above 40% RH, the exchange of material remains constant up to 90% RH. We also show that dry particles containing SOA from α-pinene ozonolysis do not appear to resist exchange of semivolatile compounds. Our interpretation is that in-particle diffusion is not rate-limiting to mass transfer in these systems above 40% RH. To the extent that these systems are representative of ambient SOA, we conclude that diffusion limitations are likely not common under typical ambient boundary layer conditions. PMID:27791066

Mixing of secondary organic aerosols versus relative humidity.

PubMed

Ye, Qing; Robinson, Ellis Shipley; Ding, Xiang; Ye, Penglin; Sullivan, Ryan C; Donahue, Neil M

2016-10-24

Atmospheric aerosols exert a substantial influence on climate, ecosystems, visibility, and human health. Although secondary organic aerosols (SOA) dominate fine-particle mass, they comprise myriad compounds with uncertain sources, chemistry, and interactions. SOA formation involves absorption of vapors into particles, either because gas-phase chemistry produces low-volatility or semivolatile products that partition into particles or because more-volatile organics enter particles and react to form lower-volatility products. Thus, SOA formation involves both production of low-volatility compounds and their diffusion into particles. Most chemical transport models assume a single well-mixed phase of condensing organics and an instantaneous equilibrium between bulk gas and particle phases; however, direct observations constraining diffusion of semivolatile organics into particles containing SOA are scarce. Here we perform unique mixing experiments between SOA populations including semivolatile constituents using quantitative, single-particle mass spectrometry to probe any mass-transfer limitations in particles containing SOA. We show that, for several hours, particles containing SOA from toluene oxidation resist exchange of semivolatile constituents at low relative humidity (RH) but start to lose that resistance above 20% RH. Above 40% RH, the exchange of material remains constant up to 90% RH. We also show that dry particles containing SOA from α-pinene ozonolysis do not appear to resist exchange of semivolatile compounds. Our interpretation is that in-particle diffusion is not rate-limiting to mass transfer in these systems above 40% RH. To the extent that these systems are representative of ambient SOA, we conclude that diffusion limitations are likely not common under typical ambient boundary layer conditions.