Accurate modelling of single-particle cryo-EM images quantifies the benefits expected from using Zernike phase contrast

PubMed Central

Hall, R. J.; Nogales, E.; Glaeser, R. M.

2011-01-01

The use of a Zernike-type phase plate in biological cryo-electron microscopy allows the imaging, without using defocus, of what are predominantly phase objects. It is thought that such phase-plate implementations might result in higher quality images, free from the problems of CTF correction that occur when images must be recorded at extremely high values of defocus. In single-particle cryo-electron microscopy it is hoped that these improvements in image quality will facilitate work on structures that have proved difficult to study, either because of their relatively small size or because the structures are not completely homogeneous. There is still a need, however, to quantify how much improvement can be gained by using a phase plate for single-particle cryo-electron microscopy. We present a method for quantitatively modelling the images recorded with 200 keV electrons, for single particles embedded in vitreous ice. We then investigate what difference the use of a phase-plate device could have on the processing of single-particle data. We confirm that using a phase plate results in single-particle datasets in which smaller molecules can be detected, particles can be more accurately aligned and problems of heterogeneity can be more easily addressed. PMID:21463690

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.

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

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

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.

2015-12-11

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surfacemore » layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.« less

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-12-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

PubMed Central

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-01-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments. PMID:26655832

Online differentiation of mineral phase in aerosol particles by ion formation mechanism using a LAAP-TOF single-particle mass spectrometer

NASA Astrophysics Data System (ADS)

Marsden, Nicholas A.; Flynn, Michael J.; Allan, James D.; Coe, Hugh

2018-01-01

Mineralogy of silicate mineral dust has a strong influence on climate and ecosystems due to variation in physiochemical properties that result from differences in composition and crystal structure (mineral phase). Traditional offline methods of analysing mineral phase are labour intensive and the temporal resolution of the data is much longer than many atmospheric processes. Single-particle mass spectrometry (SPMS) is an established technique for the online size-resolved measurement of particle composition by laser desorption ionisation (LDI) followed by time-of-flight mass spectrometry (TOF-MS). Although non-quantitative, the technique is able to identify the presence of silicate minerals in airborne dust particles from markers of alkali metals and silicate molecular ions in the mass spectra. However, the differentiation of mineral phase in silicate particles by traditional mass spectral peak area measurements is not possible. This is because instrument function and matrix effects in the ionisation process result in variations in instrument response that are greater than the differences in composition between common mineral phases.In this study, we introduce a novel technique that enables the differentiation of mineral phase in silicate mineral particles by ion formation mechanism measured from subtle changes in ion arrival times at the TOF-MS detector. Using a combination of peak area and peak centroid measurements, we show that the arrangement of the interstitial alkali metals in the crystal structure, an important property in silicate mineralogy, influences the ion arrival times of elemental and molecular ion species in the negative ion mass spectra. A classification scheme is presented that allowed for the differentiation of illite-smectite, kaolinite and feldspar minerals on a single-particle basis. Online analysis of mineral dust aerosol generated from clay mineral standards produced mineral fractions that are in agreement with bulk measurements reported by traditional XRD (X-ray diffraction) analysis.

Complex refractive index of Martian dust - Wavelength dependence and composition

NASA Technical Reports Server (NTRS)

Pang, K.; Ajello, J. M.

1977-01-01

The size distribution and complex refractive index of Martian dust-cloud particles observed in 1971 with the Mariner 9 UV spectrometer are determined by matching the observed single-scattering albedo and phase function with Mie-scattering calculations for size distributions of spheres. Values of phase function times single-scattering albedo are presented for 12 wavelength intervals in the range from 190 to 350 nm, and best-fit values are obtained for the absorption index. It is found that the absorption index of the dust particles increases with decreasing wavelength from 350 to about 210 nm and then drops off shortward of 210 nm, with a structural shoulder occurring in the absorption spectrum between 240 and 250 nm. A search for a candidate material that can explain the strong UV absorption yields TiO2, whose anatase polymorph has an absorption spectrum matching that of the Martian dust. The TiO2 content of the dust particles is estimated to be a few percent or less.

Mars aerosol studies with the MGS TES emission phase function observations: Optical depths, particle sizes, and ice cloud types versus latitude and solar longitude

NASA Astrophysics Data System (ADS)

Clancy, R. Todd; Wolff, Michael J.; Christensen, Philip R.

2003-09-01

Emission phase function (EPF) observations taken in 1999-2001 by Mars Global Surveyor Thermal Emission Spectrometer (MGS TES) support the broadest study of Martian aerosol properties to date. TES solar band and infrared (IR) spectral EPF sequences are analyzed to obtain first-time seasonal/latitudinal distributions of visible optical depths, particle sizes, and single scattering phase functions. This combined angular and wavelength coverage enables identification of two distinct ice cloud types over 45°S-45°N. Type 1 ice clouds exhibit small particle sizes (reff = 1-2 μm) and a distinctive backscattering increase. They are most prevalent in the southern hemisphere during aphelion, but also appear more widely distributed in season and latitude as topographic and high-altitude (>=20 km) ice hazes. Type 2 ice clouds exhibit larger particle sizes (reff = 3-4 μm), a distinct side-scattering minimum at 90-100° phase angles (characteristic of a change in particle shape relative to the type 1), and appear most prominently in the northern subtropical aphelion cloud belt. The majority of retrieved dust visible-to-IR optical depth ratios are indicative of reff = 1.5 +/- 0.1 μm, consistent with Pathfinder and Viking/Mariner 9 reanalyses. However, increased ratios (2.7 versus 1.7) appear frequently in the northern hemisphere over LS = 50-200°, indicating substantially smaller dust particles sizes (reff = 1.0 +/- 0.2 μm) at this time. In addition, larger (reff = 1.8-2.5 μm) dust particles were observed locally in the southern hemisphere during the peak of the 2001 global dust storm. Detailed spectral modeling of the TES visible band pass indicates agreement of EPF-derived dust single scattering albedos (0.92-0.94) with the spectrally resolved results from Pathfinder observations.

Elastic light scattering from single cells: orientational dynamics in optical trap.

PubMed

Watson, Dakota; Hagen, Norbert; Diver, Jonathan; Marchand, Philippe; Chachisvilis, Mirianas

2004-08-01

Light-scattering diagrams (phase functions) from single living cells and beads suspended in an optical trap were recorded with 30-ms time resolution. The intensity of the scattered light was recorded over an angular range of 0.5-179.5 degrees using an optical setup based on an elliptical mirror and rotating aperture. Experiments revealed that light-scattering diagrams from biological cells exhibit significant and complex time dependence. We have attributed this dependence to the cell's orientational dynamics within the trap. We have also used experimentally measured phase function information to calculate the time dependence of the optical radiation pressure force on the trapped particle and show how it changes depending on the orientation of the particle. Relevance of these experiments to potential improvement in the sensitivity of label-free flow cytometry is discussed.

Large deviation function for a driven underdamped particle in a periodic potential

NASA Astrophysics Data System (ADS)

Fischer, Lukas P.; Pietzonka, Patrick; Seifert, Udo

2018-02-01

Employing large deviation theory, we explore current fluctuations of underdamped Brownian motion for the paradigmatic example of a single particle in a one-dimensional periodic potential. Two different approaches to the large deviation function of the particle current are presented. First, we derive an explicit expression for the large deviation functional of the empirical phase space density, which replaces the level 2.5 functional used for overdamped dynamics. Using this approach, we obtain several bounds on the large deviation function of the particle current. We compare these to bounds for overdamped dynamics that have recently been derived, motivated by the thermodynamic uncertainty relation. Second, we provide a method to calculate the large deviation function via the cumulant generating function. We use this method to assess the tightness of the bounds in a numerical case study for a cosine potential.

Asymptotic Solutions for Optical Properties of Large Particles with Strong Absorption

NASA Technical Reports Server (NTRS)

Yang, Ping; Gao, Bo-Cai; Baum, Bryan A.; Hu, Yong X.; Wiscombe, Warren J.; Mishchenko, Michael I.; Winker, Dave M.; Nasiri, Shaima L.; Einaudi, Franco (Technical Monitor)

2000-01-01

For scattering calculations involving nonspherical particles such as ice crystals, we show that the transverse wave condition is not applicable to the refracted electromagnetic wave in the context of geometric optics when absorption is involved. Either the TM wave condition (i.e., where the magnetic field of the refracted wave is transverse with respect to the wave direction) or the TE wave condition (i.e., where the electric field is transverse with respect to the propagating direction of the wave) may be assumed for the refracted wave in an absorbing medium to locally satisfy the electromagnetic boundary condition in the ray tracing calculation. The wave mode assumed for the refracted wave affects both the reflection and refraction coefficients. As a result, a nonunique solution for these coefficients is derived from the electromagnetic boundary condition. In this study we have identified the appropriate solution for the Fresnel reflection/refraction coefficients in light scattering calculation based on the ray tracing technique. We present the 3 x 2 refraction or transmission matrix that completely accounts for the inhomogeneity of the refracted wave in an absorbing medium. Using the Fresnel coefficients for an absorbing medium, we derive an asymptotic solution in an analytical format for the scattering properties of a general polyhedral particle. Numerical results are presented for hexagonal plates and columns with both preferred and random orientations. The asymptotic theory can produce reasonable accuracy in the phase function calculations in the infrared window region (wavelengths near 10 micron) if the particle size (in diameter) is on the order of 40 micron or larger. However, since strong absorption is assumed in the computation of the single-scattering albedo in the asymptotic theory, the single scattering albedo does not change with variation of the particle size. As a result, the asymptotic theory can lead to substantial errors in the computation of single-scattering albedo for small and moderate particle sizes. However, from comparison of the asymptotic results with the FDTD solution, it is expected that a convergence between the FDTD results and the asymptotic theory results can be reached when the particle size approaches 200 micron. We show that the phase function at side-scattering and backscattering angles is insensitive to particle shape if the random orientation condition is assumed. However, if preferred orientations are assumed for particles, the phase function has a strong dependence on scattering azimuthal angle. The single-scattering albedo also shows very strong dependence on the inclination angle of incident radiation with respect to the rotating axis for the preferred particle orientations.

Shadow mechanism and the opposition effect of brightness of atmosphereless celestial bodies

NASA Astrophysics Data System (ADS)

Morozhenko, A. V.; Vidmachenko, A. P.

2013-09-01

We consider the Irvine-Yanovistkii modification of the shadow model developed by Hapke for the opposition effect of brightness. The relation between the single scattering albedo ω and the transparency coefficient of particles κ is suggested to be used in the form κ = (1 - ω) n, which allows the number of unknowns in the model to be reduced to two parameters (the packing density of particles g and ω) and the single-scattering phase function Ξ(α). The analysis of spectrophotometric measurements of the moon and Mars showed that the data on the observed opposition effect and the changes in the color index with the phase angle α well agree if the values of n = 0.25 and g = 0.4 (the moon) and 0.6 (Mars) are assumed in calculations. When being applied to asteroids of several types, this method also yielded a satisfactory agreement. For the E-type asteroids, the sets of parameters are [g = 0.6, ω = 0.6, A g = 0.21, and q = 0.83] or [g = 0.3, ω = 0.4, A g = 0.15, and q = 0.71] under the Martian single-scattering phase function; for the M-type asteroids, it is [g = 0.4, ω ≤ 0.1, A g ≤ 0.075, and q ≤ 0.42] under the lunar single-scattering phase function; for the S-type asteroids, it is [g = 0.4, ω = 0.4, A g = 0.28, and q = 0.49] under the lunar single-scattering phase function; and for the C-type asteroids, it is [g = 0.6, ω ≤ 0.1, A g ≤ 0.075, and q = 0.43] under the modified lunar single-scattering phase function. The polarization measurements fulfilled by Gehrels et al. (1964) for the bright feature on the lunar surface, Copernicus (L = -20°08', φ = +10°11'), at a phase angle α = 1.6° revealed the deviations in the position of the polarization plane from that typical for the negative branch. They were 22° and 12° in the G and I filters, respectively. At the same time, the deviation was within the error (±3° in the U filter and for the dark feature Plato (L = -10°32', φ = +51°25'), which can be caused by the coherent mechanism of the formation of the polarization peak.

Chaos and nonlinear dynamics of single-particle orbits in a magnetotaillike magnetic field

NASA Technical Reports Server (NTRS)

Chen, J.; Palmadesso, P. J.

1986-01-01

The properties of charged-particle motion in Hamiltonian dynamics are studied in a magnetotaillike magnetic field configuration. It is shown by numerical integration of the equation of motion that the system is generally nonintegrable and that the particle motion can be classified into three distinct types of orbits: bounded integrable orbits, unbounded stochastic orbits, and unbounded transient orbits. It is also shown that different regions of the phase space exhibit qualitatively different responses to external influences. The concept of 'differential memory' in single-particle distributions is proposed. Physical implications for the dynamical properties of the magnetotail plasmas and the possible generation of non-Maxwellian features in the distribution functions are discussed.

Improving Estimated Optical Constants With MSTM and DDSCAT Modeling

NASA Astrophysics Data System (ADS)

Pitman, K. M.; Wolff, M. J.

2015-12-01

We present numerical experiments to determine quantitatively the effects of mineral particle clustering on Mars spacecraft spectral signatures and to improve upon the values of refractive indices (optical constants n, k) derived from Mars dust laboratory analog spectra such as those from RELAB and MRO CRISM libraries. Whereas spectral properties for Mars analog minerals and actual Mars soil are dominated by aggregates of particles smaller than the size of martian atmospheric dust, the analytic radiative transfer (RT) solutions used to interpret planetary surfaces assume that individual, well-separated particles dominate the spectral signature. Both in RT models and in the refractive index derivation methods that include analytic RT approximations, spheres are also over-used to represent nonspherical particles. Part of the motivation is that the integrated effect over randomly oriented particles on quantities such as single scattering albedo and phase function are relatively less than for single particles. However, we have seen in previous numerical experiments that when varying the shape and size of individual grains within a cluster, the phase function changes in both magnitude and slope, thus the "relatively less" effect is more significant than one might think. Here we examine the wavelength dependence of the forward scattering parameter with multisphere T-matrix (MSTM) and discrete dipole approximation (DDSCAT) codes that compute light scattering by layers of particles on planetary surfaces to see how albedo is affected and integrate our model results into refractive index calculations to remove uncertainties in approximations and parameters that can lower the accuracy of optical constants. By correcting the single scattering albedo and phase function terms in the refractive index determinations, our data will help to improve the understanding of Mars in identifying, mapping the distributions, and quantifying abundances for these minerals and will address long-standing questions on fundamental physics in the martian surface (e.g., what is the fundamental scattering unit for closely packed dust or regolith grains?). This work was supported by NASA's Mars Fundamental Research Program and performed with the Pleiades cluster courtesy of NASA's Advanced Supercomputing Division.

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.

Triton's surface properties - A preliminary analysis from ground-based, Voyager photopolarimeter subsystem, and laboratory measurements

NASA Technical Reports Server (NTRS)

Buratti, B. J.; Lane, A. L.; Gibson, J.; Burrows, H.; Nelson, R. M.; Bliss, D.; Smythe, W.; Garkanian, V.; Wallis, B.

1991-01-01

The surface properties of Triton were investigated using data from the ground-based and Voyager photopolarimeter subsystem (PPS) observations of Triton's phase curve. The results indicate that Triton has a high single-scattering albedo (0.96 +/-0.01 at 0.75 micron) and an unusually compacted surface, possibly similar to that of Europa. Results also suggest that Triton's single-particle phase function and the macroscopically rough character of its surface are similar to those of most other icy satellites.

A map for heavy inertial particles in fluid flows

NASA Astrophysics Data System (ADS)

Vilela, Rafael D.; de Oliveira, Vitor M.

2017-06-01

We introduce a map which reproduces qualitatively many fundamental properties of the dynamics of heavy particles in fluid flows. These include a uniform rate of decrease of volume in phase space, a slow-manifold effective dynamics when the single parameter s (analogous of the Stokes number) approaches zero, the possibility of fold caustics in the "velocity field", and a minimum, as a function of s, of the Lyapunov (Kaplan-Yorke) dimension of the attractor where particles accumulate.

Application of an extended random-phase approximation to giant resonances in light-, medium-, and heavy-mass nuclei

NASA Astrophysics Data System (ADS)

Tselyaev, V.; Lyutorovich, N.; Speth, J.; Krewald, S.; Reinhard, P.-G.

2016-09-01

We present results of the time blocking approximation (TBA) for giant resonances in light-, medium-, and heavy-mass nuclei. The TBA is an extension of the widely used random-phase approximation (RPA) adding complex configurations by coupling to phonon excitations. A new method for handling the single-particle continuum is developed and applied in the present calculations. We investigate in detail the dependence of the numerical results on the size of the single-particle space and the number of phonons as well as on nuclear matter properties. Our approach is self-consistent, based on an energy-density functional of Skyrme type where we used seven different parameter sets. The numerical results are compared with experimental data.

Differential memory in the trilinear model magnetotail

NASA Technical Reports Server (NTRS)

Chen, James; Mitchell, Horage G.; Palmadesso, Peter J.

1990-01-01

The previously proposed concept of 'differential memory' is quantitatively demonstrated using an idealized analytical model of particle dynamics in the magnetotail geometry. In this model (the 'trilinear' tail model) the magnetotail is divided into three regions. The particle orbits are solved exactly in each region, thus reducing the orbit integration to an analytical mapping. It is shown that the trilinear model reproduces the essential phase space features of the earlier model (Chen and Palmadesso, 1986), possessing well-defined entry and exit regions, and stochastic, integrable (regular), and transient orbits, occupying disjoint phase space regions. Different regions have widely separated characteristic time scales corresponding to different types of particle motion. Using the analytical model, the evolution of single-particle distribution functions is calculated.

A new look at photometry of the Moon

USGS Publications Warehouse

Goguen, J.D.; Stone, T.C.; Kieffer, H.H.; Buratti, B.J.

2010-01-01

We use ROLO photometry (Kieffer, H.H., Stone, T.C. [2005]. Astron. J. 129, 2887-2901) to characterize the before and after full Moon radiance variation for a typical highlands site and a typical mare site. Focusing on the phase angle range 45??. ) to calculate the scattering matrix and solve the radiative transfer equation for I/. F. The mean single scattering albedo is ??=0.808, the asymmetry parameter is ???cos. ?????=0.77 and the phase function is very strongly peaked in both the forward and backward scattering directions. The fit to the observations for the highland site is excellent and multiply scattered photons contribute 80% of I/. F. We conclude that either model, roughness or multiple scattering, can match the observations, but that the strongly anisotropic phase functions of realistic particles require rigorous calculation of many orders of scattering or spurious photometric roughness estimates are guaranteed. Our multiple scattering calculation is the first to combine: (1) a regolith model matched to the measured particle size distribution and index of refraction of the lunar soil, (2) a rigorous calculation of the particle phase function and solution of the radiative transfer equation, and (3) application to lunar photometry with absolute radiance calibration. ?? 2010 Elsevier Inc.

Computation of Phase Equilibria, State Diagrams and Gas/Particle Partitioning of Mixed Organic-Inorganic Aerosols

NASA Astrophysics Data System (ADS)

Zuend, A.; Marcolli, C.; Peter, T.

2009-04-01

The chemical composition of organic-inorganic aerosols is linked to several processes and specific topics in the field of atmospheric aerosol science. Photochemical oxidation of organics in the gas phase lowers the volatility of semi-volatile compounds and contributes to the particulate matter by gas/particle partitioning. Heterogeneous chemistry and changes in the ambient relative humidity influence the aerosol composition as well. Molecular interactions between condensed phase species show typically non-ideal thermodynamic behavior. Liquid-liquid phase separations into a mainly polar, aqueous and a less polar, organic phase may considerably influence the gas/particle partitioning of semi-volatile organics and inorganics (Erdakos and Pankow, 2004; Chang and Pankow, 2006). Moreover, the phases present in the aerosol particles feed back on the heterogeneous, multi-phase chemistry, influence the scattering and absorption of radiation and affect the CCN ability of the particles. Non-ideal thermodynamic behavior in mixtures is usually described by an expression for the excess Gibbs energy, enabling the calculation of activity coefficients. We use the group-contribution model AIOMFAC (Zuend et al., 2008) to calculate activity coefficients, chemical potentials and the total Gibbs energy of mixed organic-inorganic systems. This thermodynamic model was combined with a robust global optimization module to compute potential liquid-liquid (LLE) and vapor-liquid-liquid equilibria (VLLE) as a function of particle composition at room temperature. And related to that, the gas/particle partitioning of semi-volatile components. Furthermore, we compute the thermodynamic stability (spinodal limits) of single-phase solutions, which provides information on the process type and kinetics of a phase separation. References Chang, E. I. and Pankow, J. F.: Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water - Part 2: Consideration of phase separation effects by an XUNIFAC model, Atmos. Environ., 40, 6422-6436, 2006. Erdakos, G. B. and Pankow, J. F.: Gas/particle partitioning of neutral and ionizing compounds to single- and multi-phase aerosol particles. 2. Phase separation in liquid particulate matter containing both polar and low-polarity organic compounds, Atmos. Environ., 38, 1005-1013, 2004. Zuend, A., Marcolli, C., Luo, B. P., and Peter, T.: A thermodynamic model of mixed organic-inorganic aerosols to predict activity coefficients, Atmos. Chem. Phys., 8, 4559-4593, 2008.

Methods for forming particles

DOEpatents

Fox, Robert V.; Zhang, Fengyan; Rodriguez, Rene G.; Pak, Joshua J.; Sun, Chivin

2016-06-21

Single source precursors or pre-copolymers of single source precursors are subjected to microwave radiation to form particles of a I-III-VI.sub.2 material. Such particles may be formed in a wurtzite phase and may be converted to a chalcopyrite phase by, for example, exposure to heat. The particles in the wurtzite phase may have a substantially hexagonal shape that enables stacking into ordered layers. The particles in the wurtzite phase may be mixed with particles in the chalcopyrite phase (i.e., chalcopyrite nanoparticles) that may fill voids within the ordered layers of the particles in the wurtzite phase thus produce films with good coverage. In some embodiments, the methods are used to form layers of semiconductor materials comprising a I-III-VI.sub.2 material. Devices such as, for example, thin-film solar cells may be fabricated using such methods.

Computational and Theoretical Investigations of Strongly Correlated Fermions in Optical Lattices

DTIC Science & Technology

2013-08-29

and two-particle spectral functions across the disorder - driven superconductor - insulator transition". 22. Invited speaker, \\Fermions in Optical...energy gaps across the disorder - driven superconductor - insulator transition", October 7, 2010, Harvard. 27. Seminar on \\Probing Quantum Phases of...Perimeter Institute, November 14, 2011. 37. Seminar on \\Single and two-particle energy gaps across the disorder - driven superconductor - insulator transition

On representation of mechanical behavior and stereological measures of microstructure

NASA Technical Reports Server (NTRS)

Onat, E. T.; Wright, S. I.

1991-01-01

Macroscopic homogeneity of a heterogeneous body is defined from various points of view. The applicability of the principle of Delesse to a single macroscopically homogeneous body is discussed. It is then seen that a function derived from a consideration of the area fraction of a phase can serve as a measure of clustering of particles of that phase.

Phase transformation mechanism in lithium manganese nickel oxide revealed by single-crystal hard X-ray microscopy

DOE PAGES

Kuppan, Saravanan; Xu, Yahong; Liu, Yijin; ...

2017-02-01

Understanding the reaction pathway and kinetics of solid-state phase transformation is critical in designing advanced electrode materials with better performance and stability. Despite the first-order phase transition with a large lattice mismatch between the involved phases, spinel LiMn 1.5Ni 0.5O 4 is capable of fast rate even at large particle size, presenting an enigma yet to be understood. The present study uses advanced two-dimensional and three-dimensional nano-tomography on a series of well-formed LixMn 1.5Ni 0.5O 4 (0 ≤ x ≤ 1) crystals to visualize the mesoscale phase distribution, as a function of Li content at the sub-particle level. Inhomogeneity alongmore » with the coexistence of Li-rich and Li-poor phases are broadly observed on partially delithiated crystals, providing direct evidence for a concurrent nucleation and growth process instead of a shrinking-core or a particle-by-particle process. As a result, superior kinetics of (100) facets at the vertices of truncated octahedral particles promote preferential delithiation, whereas the observation of strain-induced cracking suggests mechanical degradation in the material.« less

Re-suspension Process In Turbulent Particle-fluid Mixture Boundary Layers

NASA Astrophysics Data System (ADS)

Zwinger, T.; Kluwick, A.

Many theoretical applications of geophysical flows, such as sediment transport (e.g. Jenkins &Hanes, 1998) and aeolian transport of particles (e.g. Hopwood et al., 1995) utilize concepts for describing the near wall velocity profiles of particle suspensions originally arising from classical single phase theories. This approach is supported by experiments indicating the existence of a logarithmic fluid velocity profile similar to single phase flows also in case of high Reynolds number wall bounded particle sus- pension flows with low particle volume fractions (Nishimura &Hunt, 2000). Since the concept of a logarithmic near wall profile follows from classic asymptotic the- ory of high Reynolds number wall bounded flows the question arises to what extent this theory can be modified to account for particles being suspended in the ambient fluid. To this end, the asymptotic theory developed by Mellor (1972) is applied to the Favré-averaged equations for the carrier fluid as well as the dispersed phase derived on the basis of a volume averaged dispersed two-phase theory (Gray &Lee, 1977). Numerical solutions for profiles of main stream velocities and particle volume frac- tion in the fully turbulent region of the boundary layer for different turbulent Schmidt numbers are computed applying a Finite Difference box scheme. In particular, atten- tion is focused on the turbulent re-suspension process of particles from dense granular flow adjacent to the bounding surface into the suspension. From these results boundary conditions in form of wall functions for velocities as well as the volume fraction of the particles can be derived and the validity of analogy laws between turbulent mass and momentum transfer at the bounding surface can be proved from an asymptotic point of view. The application of these concepts in the field of snow avalanche simulation (Zwinger, 2000) is discussed.

Coil planet centrifugation as a means for small particle separation

NASA Technical Reports Server (NTRS)

Herrmann, F. T.

1983-01-01

The coil planet centrifuge uses a centrifugal force field to provide separation of particles based on differences in sedimentation rates by flow through a rotating coiled tube. Three main separations are considered: (1) single phase fresh sheep and human erythrocytes, (2) single phase fixed heep and human erythrocytes, and (3) electrophoretically enhanced single phase fresh sheep and human erythrocytes.

Information storage and retrieval in a single levitating colloidal particle

NASA Astrophysics Data System (ADS)

Myers, Christopher J.; Celebrano, Michele; Krishnan, Madhavi

2015-10-01

The binary switch is a basic component of digital information. From phase-change alloys to nanomechanical beams, molecules and atoms, new strategies for controlled bistability hold great interest for emerging technologies. We present a generic methodology for precise and parallel spatiotemporal control of nanometre-scale matter in a fluid, and demonstrate the ability to attain digital functionalities such as switching, gating and data storage in a single colloid, with further implications for signal amplification and logic operations. This fluid-phase bit can be arrayed at high densities, manipulated by either electrical or optical fields, supports low-energy, high-speed operation and marks a first step toward ‘colloidal information’. The principle generalizes to any system where spatial perturbation of a particle elicits a differential response amenable to readout.

Information storage and retrieval in a single levitating colloidal particle.

PubMed

Myers, Christopher J; Celebrano, Michele; Krishnan, Madhavi

2015-10-01

The binary switch is a basic component of digital information. From phase-change alloys to nanomechanical beams, molecules and atoms, new strategies for controlled bistability hold great interest for emerging technologies. We present a generic methodology for precise and parallel spatiotemporal control of nanometre-scale matter in a fluid, and demonstrate the ability to attain digital functionalities such as switching, gating and data storage in a single colloid, with further implications for signal amplification and logic operations. This fluid-phase bit can be arrayed at high densities, manipulated by either electrical or optical fields, supports low-energy, high-speed operation and marks a first step toward 'colloidal information'. The principle generalizes to any system where spatial perturbation of a particle elicits a differential response amenable to readout.

Shock-Induced phase transition of single crystal copper

NASA Astrophysics Data System (ADS)

Neogi, Anupam; Mitra, Nilanjan

2017-05-01

We have carried out a series of multi-million atoms non-equilibrium molecular dynamics simulations to investigate the effect of crystal orientation over the shock induced plasticity and phase transformation in single crystal copper. Crystallographic orientation of [100], [110] and [111] has been studied for various intensity of shock ranging from 1.0 km/s to 3.0 km/s. During shock wave propagation along <100> and <110>, a FCC-to-BCC phase transformation has been observed to occur behind the shock front at higher intensity of shock. Nucleated body centered phase is identified through common neighbor analysis, polyhedral matching template method, radial distribution function and also from the energetic of the particles.

Single particle analysis based on Zernike phase contrast transmission electron microscopy.

PubMed

Danev, Radostin; Nagayama, Kuniaki

2008-02-01

We present the first application of Zernike phase-contrast transmission electron microscopy to single-particle 3D reconstruction of a protein, using GroEL chaperonin as the test specimen. We evaluated the performance of the technique by comparing 3D models derived from Zernike phase contrast imaging, with models from conventional underfocus phase contrast imaging. The same resolution, about 12A, was achieved by both imaging methods. The reconstruction based on Zernike phase contrast data required about 30% fewer particles. The advantages and prospects of each technique are discussed.

First correlated measurements of the shape and light scattering properties of cloud particles using the new Particle Habit Imaging and Polar Scattering (PHIPS) probe

NASA Astrophysics Data System (ADS)

Abdelmonem, A.; Schnaiter, M.; Amsler, P.; Hesse, E.; Meyer, J.; Leisner, T.

2011-10-01

Studying the radiative impact of cirrus clouds requires knowledge of the relationship between their microphysics and the single scattering properties of cloud particles. Usually, this relationship is obtained by modeling the optical scattering properties from in situ measurements of ice crystal size distributions. The measured size distribution and the assumed particle shape might be erroneous in case of non-spherical ice particles. We present here a novel optical sensor (the Particle Habit Imaging and Polar Scattering probe, PHIPS) designed to measure simultaneously the 3-D morphology and the corresponding optical and microphysical parameters of individual cloud particles. Clouds containing particles ranging from a few micrometers to about 800 μm diameter in size can be characterized systematically with an optical resolution power of 2 μm and polar scattering resolution of 1° for forward scattering directions (from 1° to 10°) and 8° for side and backscattering directions (from 18° to 170°). The maximum acquisition rates for scattering phase functions and images are 262 KHz and 10 Hz, respectively. Some preliminary results collected in two ice cloud campaigns conducted in the AIDA cloud simulation chamber are presented. PHIPS showed reliability in operation and produced size distributions and images comparable to those given by other certified cloud particles instruments. A 3-D model of a hexagonal ice plate is constructed and the corresponding scattering phase function is compared to that modeled using the Ray Tracing with Diffraction on Facets (RTDF) program. PHIPS is a highly promising novel airborne optical sensor for studying the radiative impact of cirrus clouds and correlating the particle habit-scattering properties which will serve as a reference for other single, or multi-independent, measurement instruments.

Multistep synthesis on SU-8: combining microfabrication and solid-phase chemistry on a single material.

PubMed

Cavalli, Gabriel; Banu, Shahanara; Ranasinghe, Rohan T; Broder, Graham R; Martins, Hugo F P; Neylon, Cameron; Morgan, Hywel; Bradley, Mark; Roach, Peter L

2007-01-01

SU-8 is an epoxy-novolac resin and a well-established negative photoresist for microfabrication and microengineering. The photopolymerized resist is an extremely highly crosslinked polymer showing outstanding chemical and physical robustness with residual surface epoxy groups amenable for chemical functionalization. In this paper we describe, for the first time, the preparation and surface modification of SU-8 particles shaped as microbars, the attachment of appropriate linkers, and the successful application of these particles to multistep solid-phase synthesis leading to oligonucleotides and peptides attached in an unambiguous manner to the support surface.

Aging fingerprints in combustion particles

NASA Astrophysics Data System (ADS)

Zelenay, V.; Mooser, R.; Tritscher, T.; Křepelová, A.; Heringa, M. F.; Chirico, R.; Prévôt, A. S. H.; Weingartner, E.; Baltensperger, U.; Dommen, J.; Watts, B.; Raabe, J.; Huthwelker, T.; Ammann, M.

2011-05-01

Soot particles can significantly influence the Earth's climate by absorbing and scattering solar radiation as well as by acting as cloud condensation nuclei. However, despite their environmental (as well as economic and political) importance, the way these properties are affected by atmospheric processing is still a subject of discussion. In this work, soot particles emitted from two different cars, a EURO 2 transporter, a EURO 3 passenger vehicle, and a wood stove were investigated on a single-particle basis. The emitted exhaust, including the particulate and the gas phase, was processed in a smog chamber with artificial solar radiation. Single particle specimens of both unprocessed and aged soot were characterized using x-ray absorption spectroscopy and scanning electron microscopy. Comparison of the spectra from the unprocessed and aged soot particles revealed changes in the carbon functional group content, such as that of carboxylic carbon, which can be ascribed to both the condensation of secondary organic compounds on the soot particles and oxidation of primary soot particles upon photochemical aging. Changes in the morphology and size of the single soot particles were also observed upon aging. Furthermore, we show that the soot particles take up water in humid environments and that their water uptake capacity increases with photochemical aging.

Melting of stripe phases and its signature in the single-particle spectral function

NASA Astrophysics Data System (ADS)

Raczkowski, Marcin; Assaad, Fakher F.

2010-12-01

Motivated by the recent experimental data [J. Fink, E. Schierle, E. Weschke, J. Geck, D. Hawthorn, V. Soltwisch, H. Wadati, H.-H. Wu, H. A. Dürr, N. Wizent, B. Büchner, and G. A. Sawatzky, Phys. Rev. B 79, 100502 (2009)10.1103/PhysRevB.79.100502] indicating the existence of a pure stripe charge order over unprecedently wide temperature range in La1.8-xEu0.2SrxCuO4 , we investigate the temperature-induced melting of the metallic stripe phase. In spite of taking into account local dynamic correlations within a real-space dynamical mean-field theory of the Hubbard model, we observe a mean-field-like melting of the stripe order irrespective of the choice of the next-nearest-neighbor hopping. The temperature dependence of the single-particle spectral function shows the stripe induced formation of a flat band around the antinodal points accompanied by the opening a gap in the nodal direction.

Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase

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

Donatelli, Jeffrey J.; Sethian, James A.; Zwart, Peter H.

Free-electron lasers now have the ability to collect X-ray diffraction patterns from individual molecules; however, each sample is delivered at unknown orientation and may be in one of several conformational states, each with a different molecular structure. Hit rates are often low, typically around 0.1%, limiting the number of useful images that can be collected. Determining accurate structural information requires classifying and orienting each image, accurately assembling them into a 3D diffraction intensity function, and determining missing phase information. Additionally, single particles typically scatter very few photons, leading to high image noise levels. We develop a multitiered iterative phasing algorithmmore » to reconstruct structural information from singleparticle diffraction data by simultaneously determining the states, orientations, intensities, phases, and underlying structure in a single iterative procedure. We leverage real-space constraints on the structure to help guide optimization and reconstruct underlying structure from very few images with excellent global convergence properties. We show that this approach can determine structural resolution beyond what is suggested by standard Shannon sampling arguments for ideal images and is also robust to noise.« less

Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase

DOE PAGES

Donatelli, Jeffrey J.; Sethian, James A.; Zwart, Peter H.

2017-06-26

Free-electron lasers now have the ability to collect X-ray diffraction patterns from individual molecules; however, each sample is delivered at unknown orientation and may be in one of several conformational states, each with a different molecular structure. Hit rates are often low, typically around 0.1%, limiting the number of useful images that can be collected. Determining accurate structural information requires classifying and orienting each image, accurately assembling them into a 3D diffraction intensity function, and determining missing phase information. Additionally, single particles typically scatter very few photons, leading to high image noise levels. We develop a multitiered iterative phasing algorithmmore » to reconstruct structural information from singleparticle diffraction data by simultaneously determining the states, orientations, intensities, phases, and underlying structure in a single iterative procedure. We leverage real-space constraints on the structure to help guide optimization and reconstruct underlying structure from very few images with excellent global convergence properties. We show that this approach can determine structural resolution beyond what is suggested by standard Shannon sampling arguments for ideal images and is also robust to noise.« less

Fabrication of single phase p-CuInSe2 nanowire arrays by electrodeposited into anodic alumina templates

NASA Astrophysics Data System (ADS)

Cheng, Yu-Song; Lang, Hao-Jan; Houng, Mau-Phon

2015-10-01

Single-phase CuInSe2 nanowire (NW) arrays were prepared at various pH values in a heated electrolyte by using pulse electrodeposition techniques and an anodized aluminum oxide template. X-ray diffraction showed that the CuInSe2 NW nucleation mechanism received H+ constraints when the NWs were deposited at pH 1.7 with a (112) orientation and annealed at 550 °C. The CuInSe2 NW band gap was determined to be approximately 1 eV through optical measurements. Transmission electron microscopy showed that at the pH value of 1.7, small particles of the single-phase CuInSe2 NWs aligned along the crystallographic direction are nucleated to form large particles. Scanning electron microscopy revealed that the NW diameter and the length were 80 nm and 2.3 μm, respectively. From Mott-Schottky and Ohmic contact plots, the CuInSe2 NWs were found to be p-type semiconductors, and their work function was estimated to be approximately 4.69 eV.

Study of the phase transformation of single particles of Ga2O3 by UV-Raman spectroscopy and high-resolution TEM.

PubMed

Wang, Xiang; Xu, Qian; Fan, Fengtao; Wang, Xiuli; Li, Mingrun; Feng, Zhaochi; Li, Can

2013-09-01

By taking advantage of UV-Raman spectroscopy and high-resolution TEM (HRTEM), combined with the focused ion beam (FIB) technique, the transformation from GaOOH into α-Ga2O3 and then into β-Ga2O3 was followed. We found that the stepwise transformations took place from the surface region before developing into the bulk of single particles without particle agglomeration and growth. During the transformation from GaOOH into α-Ga2O3, the elimination of water vapor through the dehydroxylation of GaOOH resulted in the formation of micropores in the single particles, whilst maintaining their particle size. For the phase transformation from α-Ga2O3 into β-Ga2O3, the nucleation of β-Ga2O3 was found to occur at the surface defects and this process could be retarded by occupying these defects with a small amount of La2O3. By finely controlling the process of the phase transformation, the β-Ga2O3 domains gradually developed from the surface into the bulk of the single particles without particle agglomeration. Therefore, the surface structure of the α-Ga2O3 single particles can be easily tuned and a particle with an α@β core-shell phase structure has been obtained. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Modeling Optical Properties of Mineral Aerosol Particles by Using Nonsymmetric Hexahedra

NASA Technical Reports Server (NTRS)

Bi, Lei; Yang, Ping; Kattawar, George W.; Kahn, Ralph

2010-01-01

We explore the use of nonsymmetric geometries to simulate the single-scattering properties of airborne dust particles with complicated morphologies. Specifically, the shapes of irregular dust particles are assumed to be nonsymmetric hexahedra defined by using the Monte Carlo method. A combination of the discrete dipole approximation method and an improved geometric optics method is employed to compute the single-scattering properties of dust particles for size parameters ranging from 0.5 to 3000. The primary optical effect of eliminating the geometric symmetry of regular hexahedra is to smooth the scattering features in the phase function and to decrease the backscatter. The optical properties of the nonsymmetric hexahedra are used to mimic the laboratory measurements. It is demonstrated that a relatively close agreement can be achieved by using only one shape of nonsymmetric hexahedra. The agreement between the theoretical results and their measurement counterparts can be further improved by using a mixture of nonsymmetric hexahedra. It is also shown that the hexahedron model is much more appropriate than the "equivalent sphere" model for simulating the optical properties of dust particles, particularly, in the case of the elements of the phase matrix that associated with the polarization state of scattered light.

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

Liquid-liquid phase separation in atmospheric aerosol particles: dependence on organic functionalities and mixture complexity

NASA Astrophysics Data System (ADS)

Song, M.; Marcolli, C.; Krieger, U. K.; Zuend, A.; Peter, T.

2012-04-01

In the troposphere, aerosol particles undergo phase transitions such as deliquescence and efflorescence during humidity cycles (Marcolli and Krieger, 2006). In addition, interactions between organic and inorganic compounds lead to liquid-liquid phase separation (LLPS) (Ciobanu et al., 2009). Recent studies on a limited number of model systems have shown that oxygen-to-carbon ratios (O:C) of the organic aerosol fraction might be a good predictor for LLPS in mixed organic/ammonium sulfate (AS) particles (Bertram et al., 2011; Song et al., 2011). However, in order to corroborate this hypothesis experiments with an organic fraction that consists of a higher number of components with different O:C ratios and functional groups are needed. In order to determine the influence of O:C ratio, the specific organic functionalities and the mixture complexity on LLPS, we subjected organic/AS particles deposited on a hydrophobically coated substrate to relative humidity (RH) cycles and observed phase changes using optical microscopy and micro-Raman spectroscopy. To determine the influence of mixture complexity, we mixed together up to 10 organic compounds. We also prepared mixtures that were rich in different types of functional groups like polyols, aromatics and dicarboxylic acids which were identified from field measurements. We screened for a miscibility gap by varying the organic-to-inorganic ratio from 2:1 to 1:6. AS in the investigated single particles effloresced at 27 - 50 %RH and deliquesced at 72 - 79 %RH during humidity cycles. The occurrence of LLPS is determined to a high degree by the O:C of the organics: there was no LLPS for mixtures with O:C > 0.8 and there was always LLPS for mixtures with O:C < 0.57. In the range in between, we observed a dependence on the specific functional groups: a high share of aromatic functionalities shifts the range of O:C for which LLPS occurs to lower values. A correlation was also found for the onset RH of LLPS as a function of O:C. We did not find any dependence of LLPS on the complexity of the mixture. Overall, the RH range of coexistence of two liquid phases depends in first place on the O:C ratio of the particles and in second place also on the specific organic functionalities.

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.

Phase-factor-dependent symmetries and quantum phases in a three-level cavity QED system.

PubMed

Fan, Jingtao; Yu, Lixian; Chen, Gang; Jia, Suotang

2016-05-03

Unlike conventional two-level particles, three-level particles may support some unitary-invariant phase factors when they interact coherently with a single-mode quantized light field. To gain a better understanding of light-matter interaction, it is thus necessary to explore the phase-factor-dependent physics in such a system. In this report, we consider the collective interaction between degenerate V-type three-level particles and a single-mode quantized light field, whose different components are labeled by different phase factors. We mainly establish an important relation between the phase factors and the symmetry or symmetry-broken physics. Specifically, we find that the phase factors affect dramatically the system symmetry. When these symmetries are breaking separately, rich quantum phases emerge. Finally, we propose a possible scheme to experimentally probe the predicted physics of our model. Our work provides a way to explore phase-factor-induced nontrivial physics by introducing additional particle levels.

Parameterization of single-scattering properties of snow

NASA Astrophysics Data System (ADS)

Räisänen, P.; Kokhanovsky, A.; Guyot, G.; Jourdan, O.; Nousiainen, T.

2015-02-01

Snow consists of non-spherical grains of various shapes and sizes. Still, in many radiative transfer applications, single-scattering properties of snow have been based on the assumption of spherical grains. More recently, second-generation Koch fractals have been employed. While they produce a relatively flat phase function typical of deformed non-spherical particles, this is still a rather ad-hoc choice. Here, angular scattering measurements for blowing snow conducted during the CLimate IMpacts of Short-Lived pollutants In the Polar region (CLIMSLIP) campaign at Ny Ålesund, Svalbard, are used to construct a reference phase function for snow. Based on this phase function, an optimized habit combination (OHC) consisting of severely rough (SR) droxtals, aggregates of SR plates and strongly distorted Koch fractals is selected. The single-scattering properties of snow are then computed for the OHC as a function of wavelength λ and snow grain volume-to-projected area equivalent radius rvp. Parameterization equations are developed for λ = 0.199-2.7 μm and rvp = 10-2000 μm, which express the single-scattering co-albedo β, the asymmetry parameter g and the phase function P11 as functions of the size parameter and the real and imaginary parts of the refractive index. The parameterizations are analytic and simple to use in radiative transfer models. Compared to the reference values computed for the OHC, the accuracy of the parameterization is very high for β and g. This is also true for the phase function parameterization, except for strongly absorbing cases (β > 0.3). Finally, we consider snow albedo and reflected radiances for the suggested snow optics parameterization, making comparisons to spheres and distorted Koch fractals.

Parameterization of single-scattering properties of snow

NASA Astrophysics Data System (ADS)

Räisänen, P.; Kokhanovsky, A.; Guyot, G.; Jourdan, O.; Nousiainen, T.

2015-06-01

Snow consists of non-spherical grains of various shapes and sizes. Still, in many radiative transfer applications, single-scattering properties of snow have been based on the assumption of spherical grains. More recently, second-generation Koch fractals have been employed. While they produce a relatively flat phase function typical of deformed non-spherical particles, this is still a rather ad hoc choice. Here, angular scattering measurements for blowing snow conducted during the CLimate IMpacts of Short-Lived pollutants In the Polar region (CLIMSLIP) campaign at Ny Ålesund, Svalbard, are used to construct a reference phase function for snow. Based on this phase function, an optimized habit combination (OHC) consisting of severely rough (SR) droxtals, aggregates of SR plates and strongly distorted Koch fractals is selected. The single-scattering properties of snow are then computed for the OHC as a function of wavelength λ and snow grain volume-to-projected area equivalent radius rvp. Parameterization equations are developed for λ = 0.199-2.7 μm and rvp = 10-2000 μm, which express the single-scattering co-albedo β, the asymmetry parameter g and the phase function P11 as functions of the size parameter and the real and imaginary parts of the refractive index. The parameterizations are analytic and simple to use in radiative transfer models. Compared to the reference values computed for the OHC, the accuracy of the parameterization is very high for β and g. This is also true for the phase function parameterization, except for strongly absorbing cases (β > 0.3). Finally, we consider snow albedo and reflected radiances for the suggested snow optics parameterization, making comparisons to spheres and distorted Koch fractals.

Light scattering by randomly oriented cubes and parallelepipeds. [for interpretation of observed data from planetary atmospheres

NASA Technical Reports Server (NTRS)

Liou, K. N.; Cai, Q.; Pollack, J. B.; Cuzzi, J. N.

1983-01-01

In this paper, the geometric ray tracing theory for the scattering of light by hexagonal cylinders to cubes and parallelepipeds has been modified. Effects of the real and imaginary parts of the refractive index and aspect ratio of the particle on the scattering phase function and the degree of linear polarization are investigated. Causes of the physical features in the scattering polarization patterns are identified in terms of the scattering contribution due to geometric reflections and refractions. The single-scattering phase function and polarization data presented in this paper should be of some use for the interpretation of observed scattering and polarization data from planetary atmospheres and for the physical understanding of the transfer of radiation in an atmosphere containing nonspherical particles.

Heterogeneous reactivity of sea spray particles during the CalNex field campaign: Insight from single particle measurements and correlations with gas phase measurements

NASA Astrophysics Data System (ADS)

Gaston, C. J.; Riedel, T. P.; Thornton, J. A.; Wagner, N.; Brown, S. S.; Quinn, P.; Bates, T. S.; Prather, K. A.

2011-12-01

Sea spray particles are ubiquitous in marine environments. Heterogeneous reactions between sea spray particles and gas phase pollutants, such as HNO3(g), and N2O5(g), alter particle composition by displacing particulate phase halogens in sea spray and releasing these halogen species into the gas phase; these halogen-containing gas phase species play a significant role in tropospheric ozone production. Measurements of both gas phase and particle phase species on board the R/V Atlantis during the CalNEX 2010 field campaign provided an opportunity to examine the impact of heterogeneous reactivity of marine aerosols along the California coast. During the cruise, coastal measurements were made near the Santa Monica and Port of Los Angeles regions to monitor the chemical processing of marine aerosols. Sea spray particles were analyzed since these particles were the major chloride-containing particles detected. Real-time single particle measurements made using an aerosol time-of-flight mass spectrometer (ATOFMS) revealed the nocturnal processing of sea spray particles through the loss of particulate chloride and a simultaneous gain in particulate nitrate. Gas phase measurements are consistent with the particle phase observations: As N2O5(g) levels rose overnight, the production of ClNO2(g) coincided with the decrease in particulate chloride. These observations provide unique insight into heterogeneous reactivity from both a gas and particle phase perspective. Results from these measurements can be used to better constrain the rate of heterogeneous reactions on sea spray particles.

Direct counterfactual communication via quantum Zeno effect

NASA Astrophysics Data System (ADS)

Cao, Yuan; Li, Yu-Huai; Cao, Zhu; Yin, Juan; Chen, Yu-Ao; Yin, Hua-Lei; Chen, Teng-Yun; Ma, Xiongfeng; Peng, Cheng-Zhi; Pan, Jian-Wei

2017-05-01

Intuition from our everyday lives gives rise to the belief that information exchanged between remote parties is carried by physical particles. Surprisingly, in a recent theoretical study [Salih H, Li ZH, Al-Amri M, Zubairy MS (2013) Phys Rev Lett 110:170502], quantum mechanics was found to allow for communication, even without the actual transmission of physical particles. From the viewpoint of communication, this mystery stems from a (nonintuitive) fundamental concept in quantum mechanics—wave-particle duality. All particles can be described fully by wave functions. To determine whether light appears in a channel, one refers to the amplitude of its wave function. However, in counterfactual communication, information is carried by the phase part of the wave function. Using a single-photon source, we experimentally demonstrate the counterfactual communication and successfully transfer a monochrome bitmap from one location to another by using a nested version of the quantum Zeno effect.

Direct counterfactual communication via quantum Zeno effect.

PubMed

Cao, Yuan; Li, Yu-Huai; Cao, Zhu; Yin, Juan; Chen, Yu-Ao; Yin, Hua-Lei; Chen, Teng-Yun; Ma, Xiongfeng; Peng, Cheng-Zhi; Pan, Jian-Wei

2017-05-09

Intuition from our everyday lives gives rise to the belief that information exchanged between remote parties is carried by physical particles. Surprisingly, in a recent theoretical study [Salih H, Li ZH, Al-Amri M, Zubairy MS (2013) Phys Rev Lett 110:170502], quantum mechanics was found to allow for communication, even without the actual transmission of physical particles. From the viewpoint of communication, this mystery stems from a (nonintuitive) fundamental concept in quantum mechanics-wave-particle duality. All particles can be described fully by wave functions. To determine whether light appears in a channel, one refers to the amplitude of its wave function. However, in counterfactual communication, information is carried by the phase part of the wave function. Using a single-photon source, we experimentally demonstrate the counterfactual communication and successfully transfer a monochrome bitmap from one location to another by using a nested version of the quantum Zeno effect.

Direct counterfactual communication via quantum Zeno effect

PubMed Central

Cao, Yuan; Li, Yu-Huai; Cao, Zhu; Yin, Juan; Chen, Yu-Ao; Yin, Hua-Lei; Chen, Teng-Yun; Ma, Xiongfeng; Peng, Cheng-Zhi; Pan, Jian-Wei

2017-01-01

Intuition from our everyday lives gives rise to the belief that information exchanged between remote parties is carried by physical particles. Surprisingly, in a recent theoretical study [Salih H, Li ZH, Al-Amri M, Zubairy MS (2013) Phys Rev Lett 110:170502], quantum mechanics was found to allow for communication, even without the actual transmission of physical particles. From the viewpoint of communication, this mystery stems from a (nonintuitive) fundamental concept in quantum mechanics—wave-particle duality. All particles can be described fully by wave functions. To determine whether light appears in a channel, one refers to the amplitude of its wave function. However, in counterfactual communication, information is carried by the phase part of the wave function. Using a single-photon source, we experimentally demonstrate the counterfactual communication and successfully transfer a monochrome bitmap from one location to another by using a nested version of the quantum Zeno effect. PMID:28442568

Particle-laden weakly swirling free jets: Measurements and predictions. Ph.D. Thesis - Pennsylvania State Univ.

NASA Technical Reports Server (NTRS)

Bulzan, Daniel L.

1988-01-01

A theoretical and experimental investigation of particle-laden, weakly swirling, turbulent free jets was conducted. Glass particles, having a Sauter mean diameter of 39 microns, with a standard deviation of 15 microns, were used. A single loading ratio (the mass flow rate of particles per unit mass flow rate of air) of 0.2 was used in the experiments. Measurements are reported for three swirl numbers, ranging from 0 to 0.33. The measurements included mean and fluctuating velocities of both phases, and particle mass flux distributions. Measurements were also completed for single-phase non-swirling and swirling jets, as baselines. Measurements were compared with predictions from three types of multiphase flow analysis, as follows: (1) locally homogeneous flow (LHF) where slip between the phases was neglected; (2) deterministic separated flow (DSF), where slip was considered but effects of turbulence/particle interactions were neglected; and (3) stochastic separated flow (SSF), where effects of both interphase slip and turbulence/particle interactions were considered using random sampling for turbulence properties in conjunction with random-walk computations for particle motion. Single-phase weakly swirling jets were considered first. Predictions using a standard k-epsilon turbulence model, as well as two versions modified to account for effects of streamline curvature, were compared with measurements. Predictions using a streamline curvature modification based on the flux Richardson number gave better agreement with measurements for the single-phase swirling jets than the standard k-epsilon model. For the particle-laden jets, the LHF and DSF models did not provide very satisfactory predictions. The LHF model generally overestimated the rate of decay of particle mean axial and angular velocities with streamwise distance, and predicted particle mass fluxes also showed poor agreement with measurements, due to the assumption of no-slip between phases. The DSF model also performed quite poorly for predictions of particle mass flux because turbulent dispersion of the particles was neglected. The SSF model, which accounts for both particle inertia and turbulent dispersion of the particles, yielded reasonably good predictions throughout the flow field for the particle-laden jets.

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.

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

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.

Orientation Dependence of Functional Properties in Heterophase Single Crystals of the Ti36.5Ni51.0Hf12.5 and Ti48.5Ni51.5 Alloys

NASA Astrophysics Data System (ADS)

Panchenko, E. Yu.; Chumlyakov, Yu. I.; Surikov, N. Yu.; Tagiltsev, A. I.; Vetoshkina, N. G.; Osipovich, K. S.; Maier, H.; Sehitoglu, H.

2016-03-01

The features of orientation dependence of stress-induced thermoelastic B2-( R)- B19'-martensitic transformations in single crystals of the Ti48.5Ni51.5 and Ni51.0Ti36.5Hf12.5 (at.%) alloys, which contain disperse particles of the Ti3Ni4 and H-phase, respectively, are revealed along with those of their shape-memory effects (SME) and superelasticity (SE). It is experimentally demonstrated that irrespective of the crystal structure of disperse particles measuring more than 100 nm, for their volume fraction f > 16% there is a weaker orientation dependence of the reversible strain in the cases of manifestation of SME and SE. In the orientations of Class I, wherein martensitic detwinning introduces a considerable contribution into transformation strain, the values of SME |ɛ SME | and SE |ɛ SE | decrease by over a factor of two compared to the theoretical lattice strain value |ɛ tr0 | for a B2- B19'-transformation and the experimental values of reversible strain for quenched TiNi crystals. In the orientations of Class 2, wherein detwinning of the martensite is suppressed as is the case in quenched single-phase single crystals, the reversible strain is maintained close to its theoretical value |ɛ tr0 |. Micromechanical models of interaction between the martensite and the disperse particles are proposed, which account for the weaker orientation dependence of |ɛ SME | and |ɛ SE | due to suppression of detwinning of the B19'-martensite crystals by the particles and a transition from a single-variant evolution of the stress-induced martensitic transformations to a multiple-variant evolution of transformations in the cases of increased size of the particles and their larger volume fractions.

Method for forming solar cell materials from particulars

DOEpatents

Eberspacher, Chris; Pauls, Karen Lea

2001-01-01

Materials in bulk and film forms are prepared from fine particulate precursors such as single-phase, mixed-metal oxides; multi-phase, mixed-metal particles comprising a metal oxide; multinary metal particles; mixtures of such particles with other particles; and particulate materials intercalated with other materials.

Nanocellulose Fragmentation Mechanisms and Inversion of Chirality from the Single Particle to the Cholesteric Phase.

PubMed

Nyström, Gustav; Arcari, Mario; Adamcik, Jozef; Usov, Ivan; Mezzenga, Raffaele

2018-05-22

Understanding how nanostructure and nanomechanics influence physical material properties on the micro- and macroscale is an essential goal in soft condensed matter research. Mechanisms governing fragmentation and chirality inversion of filamentous colloids are of specific interest because of their critical role in load-bearing and self-organizing functionalities of soft nanomaterials. Here we provide a fundamental insight into the self-organization across several length scales of nanocellulose, an important biocolloid system with wide-ranging applications as structural, insulating, and functional material. Through a combined microscopic and statistical analysis of nanocellulose fibrils at the single particle level, we show how mechanically and chemically induced fragmentations proceed in this system. Moreover, by studying the bottom-up self-assembly of fragmented carboxylated cellulose nanofibrils into cholesteric liquid crystals, we show via direct microscopic observations that the chirality is inverted from right-handed at the nanofibril level to left-handed at the level of the liquid crystal phase. These results improve our fundamental understanding of nanocellulose and provide an important rationale for its application in colloidal systems, liquid crystals, and nanomaterials.

From the Weyl quantization of a particle on the circle to number–phase Wigner functions

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

Przanowski, Maciej, E-mail: maciej.przanowski@p.lodz.pl; Brzykcy, Przemysław, E-mail: 800289@edu.p.lodz.pl; Tosiek, Jaromir, E-mail: jaromir.tosiek@p.lodz.pl

2014-12-15

A generalized Weyl quantization formalism for a particle on the circle is shown to supply an effective method for defining the number–phase Wigner function in quantum optics. A Wigner function for the state ϱ{sup ^} and the kernel K for a particle on the circle is defined and its properties are analysed. Then it is shown how this Wigner function can be easily modified to give the number–phase Wigner function in quantum optics. Some examples of such number–phase Wigner functions are considered.

Fabrication of single phase p-CuInSe{sub 2} nanowire arrays by electrodeposited into anodic alumina templates

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

Cheng, Yu-Song; Lang, Hao-Jan; Houng, Mau-Phon, E-mail: mphoung@eembox.ncku.edu.tw

2015-10-19

Single-phase CuInSe{sub 2} nanowire (NW) arrays were prepared at various pH values in a heated electrolyte by using pulse electrodeposition techniques and an anodized aluminum oxide template. X-ray diffraction showed that the CuInSe{sub 2} NW nucleation mechanism received H{sup +} constraints when the NWs were deposited at pH 1.7 with a (112) orientation and annealed at 550 °C. The CuInSe{sub 2} NW band gap was determined to be approximately 1 eV through optical measurements. Transmission electron microscopy showed that at the pH value of 1.7, small particles of the single-phase CuInSe{sub 2} NWs aligned along the crystallographic direction are nucleated to formmore » large particles. Scanning electron microscopy revealed that the NW diameter and the length were 80 nm and 2.3 μm, respectively. From Mott–Schottky and Ohmic contact plots, the CuInSe{sub 2} NWs were found to be p-type semiconductors, and their work function was estimated to be approximately 4.69 eV.« less

First correlated measurements of the shape and scattering properties of cloud particles using the new Particle Habit Imaging and Polar Scattering (PHIPS) probe

NASA Astrophysics Data System (ADS)

Abdelmonem, A.; Schnaiter, M.; Amsler, P.; Hesse, E.; Meyer, J.; Leisner, T.

2011-05-01

Studying the radiative impact of cirrus clouds requires the knowledge of the link between their microphysics and the single scattering properties of the cloud particles. Usually, this link is created by modeling the optical scattering properties from in situ measurements of ice crystal size distributions. The measured size distribution and the assumed particle shape might be erroneous in case of non-spherical ice particles. We present here a novel optical sensor (the Particle Habit Imaging and Polar Scattering probe, PHIPS) designed to measure the 3-D morphology and the corresponding optical and microphysical parameters of individual cloud particles, simultaneously. Clouds containing particles ranging in size from a few micrometers to about 800 μm diameter can be systematically characterized with an optical resolution power of 2 μm and polar scattering resolution of 1° for forward scattering directions (from 1° to 10°) and 8° for side and backscattering directions (from 18° to 170°). The maximum acquisition rates for scattering phase functions and images are 262 KHz and 10 Hz, respectively. Some preliminary results collected in two ice cloud campaigns which were conducted in the AIDA cloud simulation chamber are presented. PHIPS showed reliability in operation and produced comparable size distributions and images to those given by other certified cloud particles instruments. A 3-D model of a hexagonal ice plate is constructed and the corresponding scattering phase function is compared to that modeled using the Ray Tracing with Diffraction on Facets (RTDF) program. PHIPS is candidate to be a novel air borne optical sensor for studying the radiative impact of cirrus clouds and correlating the particle habit-scattering properties which will serve as a reference for other single, or multi-independent, measurements instruments.

Light Scattering by Gaussian Particles: A Solution with Finite-Difference Time Domain Technique

NASA Technical Reports Server (NTRS)

Sun, W.; Nousiainen, T.; Fu, Q.; Loeb, N. G.; Videen, G.; Muinonen, K.

2003-01-01

The understanding of single-scattering properties of complex ice crystals has significance in atmospheric radiative transfer and remote-sensing applications. In this work, light scattering by irregularly shaped Gaussian ice crystals is studied with the finite-difference time-domain (FDTD) technique. For given sample particle shapes and size parameters in the resonance region, the scattering phase matrices and asymmetry factors are calculated. It is found that the deformation of the particle surface can significantly smooth the scattering phase functions and slightly reduce the asymmetry factors. The polarization properties of irregular ice crystals are also significantly different from those of spherical cloud particles. These FDTD results could provide a reference for approximate light-scattering models developed for irregular particle shapes and can have potential applications in developing a much simpler practical light scattering model for ice clouds angular-distribution models and for remote sensing of ice clouds and aerosols using polarized light. (copyright) 2003 Elsevier Science Ltd. All rights reserved.

Single-Particle Properties of a Strongly Interacting Bose-Fermi Mixture Above the BEC Phase Transition Temperature

NASA Astrophysics Data System (ADS)

Kharga, D.; Inotani, D.; Hanai, R.; Ohashi, Y.

2017-06-01

We theoretically investigate the normal state properties of a Bose-Fermi mixture with a strong attractive interaction between Fermi and Bose atoms. We extend the ordinary T-matrix approximation (TMA) with respect to Bose-Fermi pairing fluctuations, to include the Hugenholtz-Pines' relation for all Bose Green's functions appearing in TMA self-energy diagrams. This extension is shown to be essentially important to correctly describe the physical properties of the Bose-Fermi mixture, especially near the Bose-Einstein condensation instability. Using this improved TMA, we clarify how the formation of composite fermions affects Bose and Fermi single-particle excitation spectra, over the entire interaction strength.

Martian airfall dust on smooth, inclined surfaces as observed on the Phoenix Mars Lander telltale mirror

NASA Astrophysics Data System (ADS)

Moores, John E.; Ha, Taesung; Lemmon, Mark T.; Gunnlaugsson, Haraldur Páll

2015-10-01

The telltale mirror, a smooth inclined surface raised over 1 m above the deck of the Phoenix Mars Lander, was observed by the Surface Stereo Imager (SSI) several times per sol during the Phoenix Mars Lander mission. These observations were combined with a radiative transfer model to determine the thickness of dust on the wind telltale mirror as a function of time. 239 telltale sequences were analyzed and dustiness was determined on a diurnal and seasonal basis. The thickness of accumulated dust did not follow any particular diurnal or seasonal trend. The dust thickness on the mirror over the mission was 0.82±0.39 μm, which suggests a similar thickness to the modal scattering particle diameter. This suggests that inclining a surface beyond the angle of repose and polishing it to remove surface imperfections is an effective way to mitigate the accumulation of dust to less than a micron over a wide range of meteorological conditions and could be beneficial for surfaces which can tolerate some dust but not thick accumulations, such as solar panels. However, such a surface will not remain completely dust free through this action alone and mechanical or electrical clearing must be employed to remove adhered dust if a pristine surface is required. The single-scattering phase function of the dust on the mirror was consistent with the single-scattering phase function of martian aerosol dust at 450 nm, suggesting that this result is inconsistent with models of the atmosphere which require vertically or horizontally separated components or broad size distributions to explain the scattering behavior of these aerosols in the blue. The single-scattering behavior of the dust on the mirror is also consistent with Hapke modeling of spherical particles. The presence of a monolayer of particles would tend to support the spherical conclusion: such particles would be most strongly adhered electrostatically.

Perturbation theory of a superconducting 0 - π impurity quantum phase transition.

PubMed

Žonda, M; Pokorný, V; Janiš, V; Novotný, T

2015-03-06

A single-level quantum dot with Coulomb repulsion attached to two superconducting leads is studied via the perturbation expansion in the interaction strength. We use the Nambu formalism and the standard many-body diagrammatic representation of the impurity Green functions to formulate the Matsubara self-consistent perturbation expansion. We show that at zero temperature second order of the expansion in its spin-symmetric version yields a nearly perfect agreement with the numerically exact calculations for the position of the 0 - π phase boundary at which the Andreev bound states reach the Fermi energy as well as for the values of single-particle quantities in the 0-phase. We present results for phase diagrams, level occupation, induced local superconducting gap, Josephson current, and energy of the Andreev bound states with the precision surpassing any (semi)analytical approaches employed thus far.

Measurements of the evaporation and hygroscopic response of single fine-mode aerosol particles using a Bessel beam optical trap.

PubMed

Cotterell, Michael I; Mason, Bernard J; Carruthers, Antonia E; Walker, Jim S; Orr-Ewing, Andrew J; Reid, Jonathan P

2014-02-07

A single horizontally-propagating zeroth order Bessel laser beam with a counter-propagating gas flow was used to confine single fine-mode aerosol particles over extended periods of time, during which process measurements were performed. Particle sizes were measured by the analysis of the angular variation of light scattered at 532 nm by a particle in the Bessel beam, using either a probe beam at 405 nm or 633 nm. The vapour pressures of glycerol and 1,2,6-hexanetriol particles were determined to be 7.5 ± 2.6 mPa and 0.20 ± 0.02 mPa respectively. The lower volatility of hexanetriol allowed better definition of the trapping environment relative humidity profile over the measurement time period, thus higher precision measurements were obtained compared to those for glycerol. The size evolution of a hexanetriol particle, as well as its refractive index at wavelengths 532 nm and 405 nm, were determined by modelling its position along the Bessel beam propagation length while collecting phase functions with the 405 nm probe beam. Measurements of the hygroscopic growth of sodium chloride and ammonium sulfate have been performed on particles as small as 350 nm in radius, with growth curves well described by widely used equilibrium state models. These are the smallest particles for which single-particle hygroscopicity has been measured and represent the first measurements of hygroscopicity on fine mode and near-accumulation mode aerosols, the size regimes bearing the most atmospheric relevance in terms of loading, light extinction and scattering. Finally, the technique is contrasted with other single particle and ensemble methods, and limitations are assessed.

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.

Optical modeling of volcanic ash particles using ellipsoids

NASA Astrophysics Data System (ADS)

Merikallio, Sini; Muñoz, Olga; Sundström, Anu-Maija; Virtanen, Timo H.; Horttanainen, Matti; de Leeuw, Gerrit; Nousiainen, Timo

2015-05-01

The single-scattering properties of volcanic ash particles are modeled here by using ellipsoidal shapes. Ellipsoids are expected to improve the accuracy of the retrieval of aerosol properties using remote sensing techniques, which are currently often based on oversimplified assumptions of spherical ash particles. Measurements of the single-scattering optical properties of ash particles from several volcanoes across the globe, including previously unpublished measurements from the Eyjafjallajökull and Puyehue volcanoes, are used to assess the performance of the ellipsoidal particle models. These comparisons between the measurements and the ellipsoidal particle model include consideration of the whole scattering matrix, as well as sensitivity studies on the point of view of the Advanced Along Track Scanning Radiometer (AATSR) instrument. AATSR, which flew on the ENVISAT satellite, offers two viewing directions but no information on polarization, so usually only the phase function is relevant for interpreting its measurements. As expected, ensembles of ellipsoids are able to reproduce the observed scattering matrix more faithfully than spheres. Performance of ellipsoid ensembles depends on the distribution of particle shapes, which we tried to optimize. No single specific shape distribution could be found that would perform superiorly in all situations, but all of the best-fit ellipsoidal distributions, as well as the additionally tested equiprobable distribution, improved greatly over the performance of spheres. We conclude that an equiprobable shape distribution of ellipsoidal model particles is a relatively good, yet enticingly simple, approach for modeling volcanic ash single-scattering optical properties.

Experimental investigation of nearly monodispersed ternary Mn_{0.5}Zn_{0.5}Fe_{2}O_{4} magnetic fluid

NASA Astrophysics Data System (ADS)

Parekh, K.; Upadhyay, R. V.; Mehta, R. V.; Aswal, V. K.

2008-03-01

The experimental investigations of a nearly monodispersed magnetic fluid, containing a ternary Mn_{0.5}Zn_{0.5}Fe_{2}O_{4} (MZ5) magnetic fluid, are carried out using XRD, TEM, Small Angle Neutron Scattering (SANS) and a SQUID magnetometer. The XRD and TEM measurements give the particle size to be 7.5 and 8.4 nm respectively, and confirms the single phase cubic spinel structure. The size distribution retrieved from TEM is found to be very narrow (<10{%}). Room temperature magnetic measurement fits with the Langevin's function modified for the particle size distribution as well as for the particle-particle interaction parameter. M(H)-measurements as a function of field for different temperatures show that the system is superparamagnetic at room temperature and develops coercivity at 5 K. Figs 4, Refs 12.

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

Modeling Gas-Particle Partitioning of SOA: Effects of Aerosol Physical State and RH

NASA Astrophysics Data System (ADS)

Zuend, A.; Seinfeld, J.

2011-12-01

Aged tropospheric aerosol particles contain mixtures of inorganic salts, acids, water, and a large variety of organic compounds. In liquid aerosol particles non-ideal mixing of all species determines whether the condensed phase undergoes liquid-liquid phase separation or whether it is stable in a single mixed phase, and whether it contains solid salts in equilibrium with their saturated solution. The extended thermodynamic model AIOMFAC is able to predict such phase states by representing the variety of organic components using functional groups within a group-contribution concept. The number and composition of different condensed phases impacts the diversity of reaction media for multiphase chemistry and the gas-particle partitioning of semivolatile species. Recent studies show that under certain conditions biogenic and other organic-rich particles can be present in a highly viscous, semisolid or amorphous solid physical state, with consequences regarding reaction kinetics and mass transfer limitations. We present results of new gas-particle partitioning computations for aerosol chamber data using a model based on AIOMFAC activity coefficients and state-of-the-art vapor pressure estimation methods. Different environmental conditions in terms of temperature, relative humidity (RH), salt content, amount of precursor VOCs, and physical state of the particles are considered. We show how modifications of absorptive and adsorptive gas-particle mass transfer affects the total aerosol mass in the calculations and how the results of these modeling approaches compare to data of aerosol chamber experiments, such as alpha-pinene oxidation SOA. For a condensed phase in a mixed liquid state containing ammonium sulfate, the model predicts liquid-liquid phase separation up to high RH in case of, on average, moderately hydrophilic organic compounds, such as first generation oxidation products of alpha-pinene. The computations also reveal that treating liquid phases as ideal mixtures substantially overestimates the SOA mass, especially at high relative humidity.

Determination of the Cd-bearing phases in municipal solid waste and biomass single fly ash particles using SR-microXRF spectroscopy.

PubMed

Camerani, Maria Caterina; Somogyi, Andrea; Vekemans, Bart; Ansell, Stuart; Simionovici, Alexandre S; Steenari, Britt-Marie; Panas, Itai

2007-09-01

By using an excitation energy of 27.0 keV, synchrotron radiation-induced micro-X-ray fluorescence (SR-microXRF) is employed to extract information regarding the composition and distribution of Cd-bearing phases in municipal solid waste (MSW) and biomass fly ashes. Significance of observation is based on statistics of totally more than 100 individual MSW and biomass fly ash particles from a fluidized bed combustion (FBC) plant. Cd concentrations in the parts-per-million range are determined. In general, although previous leaching studies have indicated Cd to be predominant in the smaller-size ash particles, in the present study Cd is more evenly distributed throughout all the particle sizes. For MSW fly ashes, results indicate the presence of Cd mainly as CdBr2 hot-spots, whereas for biomass fly ashes, which exhibit lower CdX2 concentration, a thin Cd layer on/in the particles is reported. For both ashes, Ca-containing matrixes are found to be the main Cd-bearing phases. Support for this observation is found from independent first-principles periodic density functional theory calculations. The observations are condensed into a schematic mechanism for Cd adsorption on the fly ash particles.

Phase-space analysis of the Schwinger effect in inhomogeneous electromagnetic fields

NASA Astrophysics Data System (ADS)

Kohlfürst, Christian

2018-05-01

Schwinger pair production in spatially and temporally inhomogeneous electric and magnetic fields is studied. The focus is on the particle phase-space distribution within a high-intensity few-cycle pulse. Accurate numerical solutions of a quantum kinetic theory (DHW formalism) are presented in momentum space and, with the aid of coarse-graining techniques, in a mixed spatial-momentum representation. Additionally, signatures of the carrier-envelope phase as well as spin-field interactions are discussed on the basis of a trajectory-based model taking into account instantaneous pair production and relativistic single-particle dynamics. Although our simple semi-classical single-particle model cannot describe every aspect of the particle production process (quantum interferences), essential features such as spin-field interactions are captured.

Raman Spectroscopy and Microphysics of Single PSC Precursor Particles Suspended in a Quadrupole Trap

NASA Astrophysics Data System (ADS)

Sonnenfroh, D. M.; Hunter, A. J.; Rawlins, W. T.

2001-12-01

Polar stratospheric clouds (PSCs) consist primarily of solid nitric acid trihydrate (NAT) particles, which are thought to nucleate via HNO3 uptake on background sulfuric acid particles at temperatures below 195 K. The mechanism for this process is uncertain, and depends on whether the sulfuric acid particles are solid or liquid at these temperatures. Previous results from laboratory and field measurements are mixed; our previous single-particle laboratory experiments showed that binary H2SO4/H2O particles at stratospheric compositions are essentially metastable in the liquid phase when cooled to PSC temperatures. Currently, we are investigating the detailed microphysics of binary (H2SO4/H2O) and ternary (HNO3/H2SO4/H2O) single particles suspended in an electrodynamic levitator, using optical elastic scattering and Raman spectroscopy to observe changes in phase and composition. Single-particle Raman spectra for supercooled binary particles exhibit spectral distributions which alter markedly with decreasing temperature down to 190 K. The variations signify increasing dissociation of HSO4(-) to SO4(-2) with decreasing temperature, consistent with measurements for bulk solutions. Upon gradual warming of supercooled liquid binary particles, some of them freeze briefly in a narrow "window" of the phase diagram, near 210 K and 60 weight per cent H2SO4. We will discuss the Raman spectroscopy and microphysical behavior of the liquid and frozen particles for both the binary and ternary systems. This research was supported by the NASA Atmospheric Effects of Aviation Program.

PHIPS-HALO: the airborne Particle Habit Imaging and Polar Scattering probe - Part 1: Design and operation

NASA Astrophysics Data System (ADS)

Abdelmonem, Ahmed; Järvinen, Emma; Duft, Denis; Hirst, Edwin; Vogt, Steffen; Leisner, Thomas; Schnaiter, Martin

2016-07-01

The number and shape of ice crystals present in mixed-phase and ice clouds influence the radiation properties, precipitation occurrence and lifetime of these clouds. Since clouds play a major role in the climate system, influencing the energy budget by scattering sunlight and absorbing heat radiation from the earth, it is necessary to investigate the optical and microphysical properties of cloud particles particularly in situ. The relationship between the microphysics and the single scattering properties of cloud particles is usually obtained by modelling the optical scattering properties from in situ measurements of ice crystal size distributions. The measured size distribution and the assumed particle shape might be erroneous in case of non-spherical ice particles. There is a demand to obtain both information correspondently and simultaneously for individual cloud particles in their natural environment. For evaluating the average scattering phase function as a function of ice particle habit and crystal complexity, in situ measurements are required. To this end we have developed a novel airborne optical sensor (PHIPS-HALO) to measure the optical properties and the corresponding microphysical parameters of individual cloud particles simultaneously. PHIPS-HALO has been tested in the AIDA cloud simulation chamber and deployed in mountain stations as well as research aircraft (HALO and Polar 6). It is a successive version of the laboratory prototype instrument PHIPS-AIDA. In this paper we present the detailed design of PHIPS-HALO, including the detection mechanism, optical design, mechanical construction and aerodynamic characterization.

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

Ionization energies and electron affinities from a random-phase-approximation many-body Green's-function method including exchange interactions

NASA Astrophysics Data System (ADS)

Heßelmann, Andreas

2017-06-01

A many-body Green's-function method employing an infinite order summation of ring and exchange-ring contributions to the self-energy is presented. The individual correlation and relaxation contributions to the quasiparticle energies are calculated using an iterative scheme which utilizes density fitting of the particle-hole, particle-particle and hole-hole densities. It is shown that the ionization energies and electron affinities of this approach agree better with highly accurate coupled-cluster singles and doubles with perturbative triples energy difference results than those obtained with second-order Green's-function approaches. An analysis of the correlation and relaxation terms of the self-energy for the direct- and exchange-random-phase-approximation (RPA) Green's-function methods shows that the inclusion of exchange interactions leads to a reduction of the two contributions in magnitude. These differences, however, strongly cancel each other when summing the individual terms to the quasiparticle energies. Due to this, the direct- and exchange-RPA methods perform similarly for the description of ionization energies (IPs) and electron affinities (EAs). The coupled-cluster reference IPs and EAs, if corrected to the adiabatic energy differences between the neutral and charged molecules, were shown to be in very good agreement with experimental measurements.

A Lab Based Method for Exoplanet Cloud and Aerosol Characterization

NASA Astrophysics Data System (ADS)

Johnson, A. V.; Schneiderman, T. M.; Bauer, A. J. R.; Cziczo, D. J.

2017-12-01

The atmospheres of some smaller, cooler exoplanets, like GJ 1214b, lack strong spectral features. This may suggest the presence of a high, optically thick cloud layer and poses great challenges for atmospheric characterization, but there is hope. The study of extraterrestrial atmospheres with terrestrial based techniques has proven useful for understanding the cloud-laden atmospheres of our solar system. Here we build on this by leveraging laboratory-based, terrestrial cloud particle instrumentation to better understand the microphysical and radiative properties of proposed exoplanet cloud and aerosol particles. The work to be presented focuses on the scattering properties of single particles, that may be representative of those suspended in exoplanet atmospheres, levitated in an Electrodynamic Balance (EDB). I will discuss how we leverage terrestrial based cloud microphysics for exoplanet applications, the instruments for single and ensemble particle studies used in this work, our investigation of ammonium nitrate (NH4NO3) scattering across temperature dependent crystalline phase changes, and the steps we are taking toward the collection of scattering phase functions and polarization of scattered light for exoplanet cloud analogs. Through this and future studies we hope to better understand how upper level cloud and/or aerosol particles in exoplanet atmospheres interact with incoming radiation from their host stars and what atmospheric information may still be obtainable through remote observations when no spectral features are observed.

PHIPS-HALO: the airborne particle habit imaging and polar scattering probe - Part 2: Characterization and first results

NASA Astrophysics Data System (ADS)

Schnaiter, Martin; Järvinen, Emma; Abdelmonem, Ahmed; Leisner, Thomas

2018-01-01

The novel aircraft optical cloud probe PHIPS-HALO has been developed to establish clarity regarding the fundamental link between the microphysical properties of single atmospheric ice particles and their appropriated angular light scattering function. After final improvements were implemented in the polar nephelometer part and the acquisition software of PHIPS-HALO, the instrument was comprehensively characterized in the laboratory and was deployed in two aircraft missions targeting cirrus and Arctic mixed-phase clouds. This work demonstrates the proper function of the instrument under aircraft conditions and highlights the uniqueness, quality, and limitations of the data that can be expected from PHIPS-HALO in cloud-related aircraft missions.

Excitation energies from particle-particle random phase approximation with accurate optimized effective potentials

NASA Astrophysics Data System (ADS)

Jin, Ye; Yang, Yang; Zhang, Du; Peng, Degao; Yang, Weitao

2017-10-01

The optimized effective potential (OEP) that gives accurate Kohn-Sham (KS) orbitals and orbital energies can be obtained from a given reference electron density. These OEP-KS orbitals and orbital energies are used here for calculating electronic excited states with the particle-particle random phase approximation (pp-RPA). Our calculations allow the examination of pp-RPA excitation energies with the exact KS density functional theory (DFT). Various input densities are investigated. Specifically, the excitation energies using the OEP with the electron densities from the coupled-cluster singles and doubles method display the lowest mean absolute error from the reference data for the low-lying excited states. This study probes into the theoretical limit of the pp-RPA excitation energies with the exact KS-DFT orbitals and orbital energies. We believe that higher-order correlation contributions beyond the pp-RPA bare Coulomb kernel are needed in order to achieve even higher accuracy in excitation energy calculations.

Microfluidic Controlled Conformal Coating of Particles

NASA Astrophysics Data System (ADS)

Tsai, Scott; Wexler, Jason; Wan, Jiandi; Stone, Howard

2011-11-01

Coating flows are an important class of fluid mechanics problems. Typically a substrate is coated with a moving continuous film, but it is also possible to consider coating of discrete objects. In particular, in applications involving coating of particles that are useful in drug delivery, the coatings act as drug-carrying vehicles, while in cell therapy a thin polymeric coating is required to protect the cells from the host's immune system. Although many functional capabilities have been developed for lab-on-a-chip devices, a technique for coating has not been demonstrated. We present a microfluidic platform developed to coat micron-size spheres with a thin aqueous layer by magnetically pulling the particles from the aqueous phase to the non-aqueous phase in a co-flow. Coating thickness can be adjusted by the average fluid speed and the number of beads encapsulated inside a single coat is tuned by the ratio of magnetic to interfacial forces acting on the beads.

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

The 27-28 October 1986 FIRE IFO Cirrus case study: Comparison of radiative transfer theory with observations by satellite and aircraft

NASA Technical Reports Server (NTRS)

Wielicki, Bruce A.; Suttles, J. T.; Heymsfield, Andrew J.; Welch, Ronald M.; Spinhirne, James D.; Wu, Man-Li C.; Starr, David OC.; Parker, Lindsay; Arduini, Robert F.

1989-01-01

Observations of cirrus and altocumulus clouds during the First International Satellite Cloud Climatology Project Regional Experiment (FIRE) are compared to theoretical models of cloud radiative properties. Three tests are performed. First, LANDSAT radiances are used to compare the relationship between nadir reflectance ot 0.83 micron and beam emittance at 11.5 microns with that predicted for model calculations using spherical and nonspherical phase functions. Good agreement is found between observations and theory when water droplets dominate. Poor agreement is found when ice particles dominate, especially using scattering phase functions for spherical particles. Even when compared to a laboratory measured ice particle phase function, the observations show increased side scattered radiation relative to the theoretical calculations. Second, the anisotropy of conservatively scattered radiation is examined using simultaneous multiple angle views of the cirrus from LANDSAT and ER-2 aircraft radiometers. Observed anisotropy gives good agreement with theoretical calculations using the laboratory measured ice particle phase function and poor agreement with a spherical particle phase function. Third, Landsat radiances at 0.83, 1.65, and 2.21 microns are used to infer particle phase and particle size. For water droplets, good agreement is found with King Air FSSP particle probe measurements in the cloud. For ice particles, the LANDSAT radiance observations predict an effective radius of 60 microns versus aircraft observations of about 200 microns. It is suggested that this descrepancy may be explained by uncertainty in the imaginary index of ice and by inadequate measurements of small ice particles by microphysical probes.

Magnetic, hyperthermic and structural properties of zn substituted CaFe2O4 powders

NASA Astrophysics Data System (ADS)

Kheradmand, Abbas; Vahidi, Omid; Masoudpanah, S. M.

2018-03-01

In the present study, we have synthesized single phase Ca1 - x Zn x Fe2O4 powders by hydrothermal method. The cation distribution between the tetrahedral and octahedral sites in the spinel structure and the magnetic properties as a function of the zinc substitution have been investigated by X-ray diffraction (XRD), infrared spectroscopy and vibrating sample magnetometer methods. The obtained XRD pattern indicated that the synthesized particles had single phase cubic spinel structure with no impurity. The magnetic measurements showed that the saturation magnetization increased from 83 to 98 emu/g with the addition of zinc due to the decrease of inversity. The particle size observed by electron microscopy decreased from 1.38 to 0.97 µm with the increase of zinc addition. The Ca0.7Zn0.3Fe2O4 powders exhibited appropriate heating capability for hyperthermia applications with the maximum AC heating temperature of 20 °C and specific loss power of 9.29 W/g.

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.

Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes

PubMed Central

Patil-Sen, Yogita; Sadeghpour, Amin; Rappolt, Michael; Kulkarni, Chandrashekhar V.

2016-01-01

We present a facile method to prepare nanostructured lipid particles stabilized by carbon nanotubes (CNTs). Single-walled (pristine) and multi-walled (functionalized) CNTs are used as stabilizers to produce Pickering type oil-in-water (O/W) emulsions. Lipids namely, Dimodan U and Phytantriol are used as emulsifiers, which in excess water self-assemble into the bicontinuous cubic Pn3m phase. This highly viscous phase is fragmented into smaller particles using a probe ultrasonicator in presence of conventional surfactant stabilizers or CNTs as done here. Initially, the CNTs (powder form) are dispersed in water followed by further ultrasonication with the molten lipid to form the final emulsion. During this process the CNTs get coated with lipid molecules, which in turn are presumed to surround the lipid droplets to form a particulate emulsion that is stable for months. The average size of CNT-stabilized nanostructured lipid particles is in the submicron range, which compares well with the particles stabilized using conventional surfactants. Small angle X-ray scattering data confirms the retention of the original Pn3m cubic phase in the CNT-stabilized lipid dispersions as compared to the pure lipid phase (bulk state). Blue shift and lowering of the intensities in characteristic G and G' bands of CNTs observed in Raman spectroscopy characterize the interaction between CNT surface and lipid molecules. These results suggest that the interactions between the CNTs and lipids are responsible for their mutual stabilization in aqueous solutions. As the concentrations of CNTs employed for stabilization are very low and lipid molecules are able to functionalize the CNTs, the toxicity of CNTs is expected to be insignificant while their biocompatibility is greatly enhanced. Hence the present approach finds a great potential in various biomedical applications, for instance, for developing hybrid nanocarrier systems for the delivery of multiple functional molecules as in combination therapy or polytherapy. PMID:26967650

Facile Preparation of Internally Self-assembled Lipid Particles Stabilized by Carbon Nanotubes.

PubMed

Patil-Sen, Yogita; Sadeghpour, Amin; Rappolt, Michael; Kulkarni, Chandrashekhar V

2016-02-19

We present a facile method to prepare nanostructured lipid particles stabilized by carbon nanotubes (CNTs). Single-walled (pristine) and multi-walled (functionalized) CNTs are used as stabilizers to produce Pickering type oil-in-water (O/W) emulsions. Lipids namely, Dimodan U and Phytantriol are used as emulsifiers, which in excess water self-assemble into the bicontinuous cubic Pn3m phase. This highly viscous phase is fragmented into smaller particles using a probe ultrasonicator in presence of conventional surfactant stabilizers or CNTs as done here. Initially, the CNTs (powder form) are dispersed in water followed by further ultrasonication with the molten lipid to form the final emulsion. During this process the CNTs get coated with lipid molecules, which in turn are presumed to surround the lipid droplets to form a particulate emulsion that is stable for months. The average size of CNT-stabilized nanostructured lipid particles is in the submicron range, which compares well with the particles stabilized using conventional surfactants. Small angle X-ray scattering data confirms the retention of the original Pn3m cubic phase in the CNT-stabilized lipid dispersions as compared to the pure lipid phase (bulk state). Blue shift and lowering of the intensities in characteristic G and G' bands of CNTs observed in Raman spectroscopy characterize the interaction between CNT surface and lipid molecules. These results suggest that the interactions between the CNTs and lipids are responsible for their mutual stabilization in aqueous solutions. As the concentrations of CNTs employed for stabilization are very low and lipid molecules are able to functionalize the CNTs, the toxicity of CNTs is expected to be insignificant while their biocompatibility is greatly enhanced. Hence the present approach finds a great potential in various biomedical applications, for instance, for developing hybrid nanocarrier systems for the delivery of multiple functional molecules as in combination therapy or polytherapy.

Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

NASA Astrophysics Data System (ADS)

Orkoulas, Gerassimos; Panagiotopoulos, Athanassios Z.

1994-07-01

In this work, we investigate the liquid-vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We compute the chemical potential for the restricted primitive model as a function of temperature and density from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve is in agreement with recent results of Caillol obtained on the four-dimensional hypersphere and our own earlier Gibbs ensemble simulations with single-ion transfers, with the exception of the critical temperature, which is lower in the current calculations. Our best estimates for the critical parameters are T*c=0.053, ρ*c=0.025. We conclude with possible future applications of the biased techniques developed here for phase equilibrium calculations for ionic fluids.

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.

Constraining martian atmospheric dust particle size distributions from MER Navcam observations.

NASA Astrophysics Data System (ADS)

Soderblom, J. M.; Smith, M. D.

2017-12-01

Atmospheric dust plays an important role in atmospheric dynamics by absorbing energy and influencing the thermal structure of the atmosphere [1]. The efficiency by which dust absorbs energy depends on its size and single-scattering albedo. Characterizing these properties and their variability is, thus, important in modeling atmospheric circulation. Near-sun observations of the martian sky from Viking Lander, Mars Pathfinder, and MER Pancam images have been used to characterize the atmospheric scattering phase function. The forward-scattering peak the atmospheric phase function is primarily controlled by the size of aerosol particles and is less sensitive to atmospheric opacity or particle shape and single-scattering albedo [2]. These observations, however, have been limited to scattering angles >5°. We use the MER Navcams, which experience little-to-no debilitating internal instrumental scattered light during near-Sun imaging, enabling measurements of the brightness of the martian sky down to very small scattering angles [3], making them more sensitive to aerosol particle size. Additionally, the Navcams band-pass wavelength is similar to the dust effective particle size, further increasing this sensitivity. These data sample a wide range of atmospheric conditions, including variations in the atmospheric dust loading across the entire martian year, as well as more rapid variations during the onset and dissipation of a global-scale dust storm. General circulation models (GCMs) predict a size-dependence for the transport of dust during dust storms that would result in both spatial (on regional-to-global scales) and temporal (days-to-months) variations in the dust size distribution [4]. The absolute calibration of these data, however, is limited. The instrument temperature measurement is limited to a single thermocouple on the Opportunity left Navcam CCD, and observations of the calibration target by Navcam are infrequent. We discuss ways to mitigate these uncertainties and provide improved recovery of dust particle size distributions from these data. [1] Gierasch and Goody, 1972, J. Atmos. Sci., 29, 400-402. [2] Hansen and Travis, 1974, Space Sci. Rev., 16, 527-610. [3] Soderblom et al., 2008; JGR E06S19. [4] Murphy et al., 1993, JGR 98(E2), 3197-3220.

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

Effect of heterogeneity and shape on optical properties of urban dust based on three-dimensional modeling of individual particles

NASA Astrophysics Data System (ADS)

Conny, Joseph M.; Ortiz-Montalvo, Diana L.

2017-09-01

We show the effect of composition heterogeneity and shape on the optical properties of urban dust particles based on the three-dimensional spatial and optical modeling of individual particles. Using scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDX) and focused ion beam (FIB) tomography, spatial models of particles collected in Los Angeles and Seattle accounted for surface features, inclusions, and voids, as well as overall composition and shape. Using voxel data from the spatial models and the discrete dipole approximation method, we report extinction efficiency, asymmetry parameter, and single-scattering albedo (SSA). Test models of the particles involved (1) the particle's actual morphology as a single homogeneous phase and (2) simple geometric shapes (spheres, cubes, and tetrahedra) depicting composition homogeneity or heterogeneity (with multiple spheres). Test models were compared with a reference model, which included the particle's actual morphology and heterogeneity based on SEM/EDX and FIB tomography. Results show particle shape to be a more important factor for determining extinction efficiency than accounting for individual phases in a particle, regardless of whether absorption or scattering dominated. In addition to homogeneous models with the particles' actual morphology, tetrahedral geometric models provided better extinction accuracy than spherical or cubic models. For iron-containing heterogeneous particles, the asymmetry parameter and SSA varied with the composition of the iron-containing phase, even if the phase was <10% of the particle volume. For particles containing loosely held phases with widely varying refractive indexes (i.e., exhibiting "severe" heterogeneity), only models that account for heterogeneity may sufficiently determine SSA.

Single-particle energies and density of states in density functional theory

NASA Astrophysics Data System (ADS)

van Aggelen, H.; Chan, G. K.-L.

2015-07-01

Time-dependent density functional theory (TD-DFT) is commonly used as the foundation to obtain neutral excited states and transition weights in DFT, but does not allow direct access to density of states and single-particle energies, i.e. ionisation energies and electron affinities. Here we show that by extending TD-DFT to a superfluid formulation, which involves operators that break particle-number symmetry, we can obtain the density of states and single-particle energies from the poles of an appropriate superfluid response function. The standard Kohn- Sham eigenvalues emerge as the adiabatic limit of the superfluid response under the assumption that the exchange- correlation functional has no dependence on the superfluid density. The Kohn- Sham eigenvalues can thus be interpreted as approximations to the ionisation energies and electron affinities. Beyond this approximation, the formalism provides an incentive for creating a new class of density functionals specifically targeted at accurate single-particle eigenvalues and bandgaps.

Particle-laden swirling free jets: Measurements and predictions

NASA Technical Reports Server (NTRS)

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

1987-01-01

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

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.

Pairing of one-dimensional Bose-Fermi mixtures with unequal masses

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

Rizzi, Matteo; Max Planck Institut fuer QuantenOptik, Hans Kopfermann Strasse 1, D-85748 Garching; Imambekov, Adilet

We have considered one-dimensional Bose-Fermi mixture with equal densities and unequal masses using numerical density matrix renormalization group. For the mass ratio of K-Rb mixture and attraction between bosons and fermions, we determined the phase diagram. For weak boson-boson interactions, there is a direct transition between two-component Luttinger liquid and collapsed phases as the boson-fermion attraction is increased. For strong enough boson-boson interactions, we find an intermediate 'paired' phase, which is a single-component Luttinger liquid of composite particles. We investigated correlation functions of such a 'paired' phase, studied the stability of 'paired' phase to density imbalance, and discussed various experimentalmore » techniques which can be used to detect it.« less

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.

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.

Growth of copper-zinc and copper-magnesium particles by gas-evaporation technique

NASA Astrophysics Data System (ADS)

Ohno, T.

1984-12-01

Fine particles of Cu-Zn and Cu-Mg systems of diameter less than 500 nm were prepared by evaporating the constituent metals simultaneously from two evaporation sources in an atmosphere of argon of 10 to 30 Torr. The composition, crystal structure and habit of the alloy particles were investigated by electron microscopy. The composition of the alloy particles varied depending on the growth zone of metal smoke and almost all phases known in Cu-Zn or Cu-Mg system were found at the same time. The particles with single phase showed generally well-defined crystal habits characteristic of their crystal structures. For the particles with two phases, a fixed lattice relation between the two phases was generally recognized. The formation process of the alloy particles is discussed through these observations.

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.

Single scattering from nonspherical Chebyshev particles: A compendium of calculations

NASA Technical Reports Server (NTRS)

Wiscombe, W. J.; Mugnai, A.

1986-01-01

A large set of exact calculations of the scattering from a class of nonspherical particles known as Chebyshev particles' has been performed. Phase function and degree of polarization in random orientation, and parallel and perpendicular intensities in fixed orientations, are plotted for a variety of particles shapes and sizes. The intention is to furnish a data base against which both experimental data, and the predictions of approximate methods, can be tested. The calculations are performed with the widely-used Extended Boundary Condition Method. An extensive discussion of this method is given, including much material that is not easily available elsewhere (especially the analysis of its convergence properties). An extensive review is also given of all extant methods for nonspherical scattering calculations, as well as of the available pool of experimental data.

Laboratory Studies of the Optical Properties and Condensation Processes of Cosmic Dust Particles

NASA Technical Reports Server (NTRS)

Abbas, Mian M.; Craven, Paul D.; Spann, James F.; Tankosic, Dragana; Six, N. Frank (Technical Monitor)

2002-01-01

A laboratory facility for levitating single isolated dust particles in an electrodynamics balance has been developing at NASA/Marshall Space Flight Center for conducting a variety of experimental, of astrophysical interest. The objective of this research is to employ this innovative experimental technique for studies of the physical and optical properties of the analogs of cosmic grains of 0.2-10 micron size in a chamber with controlled pressure/temperatures simulating astrophysical environments. In particular, we will carry out three classes of experiments to investigate the microphysics of the analogs of interstellar and interplanetary dust grains. (1) Charge characteristics of micron size single dust grains to determine the photoelectric efficiencies, yields, and equilibrium potentials when exposed to UV radiation. These measurements will provide the much-needed photoelectric emission data relating to individual particles as opposed to that for the bulk materials available so far. (2) Infrared optical properties of dust particles obtained by irradiating the particles with radiation from tunable infrared diode lasers and measuring the scattered radiation. Specifically, the complex refractive indices, the extinction coefficients, the scattering phase functions, and the polarization properties of single dust grains of interest in interstellar environments, in the 1-25 micron spectral region will be determined. (3) Condensation experiments to investigate the deposition of volatile gases on colder nucleated particles in dense interstellar clouds and lower planetary atmospheres. The increase in the mass or m/q ratio due to condensation on the particle will be monitored as a function of the dust particle temperature and the partial pressure of the injected volatile gas. The measured data wild permit determination of the sticking efficiencies of volatile gases of astrophysical interest. Preliminary results based on photoelectric emission experiments on 0.2-6.6 micron size silica particles exposed to UV radiation in the 120-200 nm spectral region will be presented.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes

NASA Astrophysics Data System (ADS)

O'Brien, S. A.; Harvey, A.; Griffin, A.; Donnelly, T.; Mulcahy, D.; Coleman, J. N.; Donegan, J. F.; McCloskey, D.

2017-11-01

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter—the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Light scattering and random lasing in aqueous suspensions of hexagonal boron nitride nanoflakes.

PubMed

O'Brien, S A; Harvey, A; Griffin, A; Donnelly, T; Mulcahy, D; Coleman, J N; Donegan, J F; McCloskey, D

2017-11-24

Liquid phase exfoliation allows large scale production of 2D materials in solution. The particles are highly anisotropic and strongly scatter light. While spherical particles can be accurately and precisely described by a single parameter-the radius, 2D nanoflakes, however, cannot be so easily described. We investigate light scattering in aqueous solutions of 2D hexagonal boron nitride nanoflakes in the single and multiple scattering regimes. In the single scattering regime, the anisotropic 2D materials show a much stronger depolarization of light when compared to spherical particles of similar size. In the multiple scattering regime, the scattering as a function of optical path for hexagonal boron nitride nanoflakes of a given lateral length was found to be qualitatively equivalent to scattering from spheres with the same diameter. We also report the presence of random lasing in high concentration suspensions of aqueous h-BN mixed with Rhodamine B dye. The h-BN works as a scattering agent and Rhodamine B as a gain medium for the process. We observed random lasing at 587 nm with a threshold energy of 0.8 mJ.

Intercomparison study and optical asphericity measurements of small ice particles in the CERN CLOUD experiment

NASA Astrophysics Data System (ADS)

Nichman, Leonid; Järvinen, Emma; Dorsey, James; Connolly, Paul; Duplissy, Jonathan; Fuchs, Claudia; Ignatius, Karoliina; Sengupta, Kamalika; Stratmann, Frank; Möhler, Ottmar; Schnaiter, Martin; Gallagher, Martin

2017-09-01

Optical probes are frequently used for the detection of microphysical cloud particle properties such as liquid and ice phase, size and morphology. These properties can eventually influence the angular light scattering properties of cirrus clouds as well as the growth and accretion mechanisms of single cloud particles. In this study we compare four commonly used optical probes to examine their response to small cloud particles of different phase and asphericity. Cloud simulation experiments were conducted at the Cosmics Leaving OUtdoor Droplets (CLOUD) chamber at European Organisation for Nuclear Research (CERN). The chamber was operated in a series of multi-step adiabatic expansions to produce growth and sublimation of ice particles at super- and subsaturated ice conditions and for initial temperatures of -30, -40 and -50 °C. The experiments were performed for ice cloud formation via homogeneous ice nucleation. We report the optical observations of small ice particles in deep convection and in situ cirrus simulations. Ice crystal asphericity deduced from measurements of spatially resolved single particle light scattering patterns by the Particle Phase Discriminator mark 2 (PPD-2K, Karlsruhe edition) were compared with Cloud and Aerosol Spectrometer with Polarisation (CASPOL) measurements and image roundness captured by the 3View Cloud Particle Imager (3V-CPI). Averaged path light scattering properties of the simulated ice clouds were measured using the Scattering Intensity Measurements for the Optical detectioN of icE (SIMONE) and single particle scattering properties were measured by the CASPOL. We show the ambiguity of several optical measurements in ice fraction determination of homogeneously frozen ice in the case where sublimating quasi-spherical ice particles are present. Moreover, most of the instruments have difficulties of producing reliable ice fraction if small aspherical ice particles are present, and all of the instruments cannot separate perfectly spherical ice particles from supercooled droplets. Correlation analysis of bulk averaged path depolarisation measurements and single particle measurements of these clouds showed higher R2 values at high concentrations and small diameters, but these results require further confirmation. We find that none of these instruments were able to determine unambiguously the phase of the small particles. These results have implications for the interpretation of atmospheric measurements and parametrisations for modelling, particularly for low particle number concentration clouds.

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.

Continuously phase-modulated standing surface acoustic waves for separation of particles and cells in microfluidic channels containing multiple pressure nodes

NASA Astrophysics Data System (ADS)

Lee, Junseok; Rhyou, Chanryeol; Kang, Byungjun; Lee, Hyungsuk

2017-04-01

This paper describes continuously phase-modulated standing surface acoustic waves (CPM-SSAW) and its application for particle separation in multiple pressure nodes. A linear change of phase in CPM-SSAW applies a force to particles whose magnitude depends on their size and contrast factors. During continuous phase modulation, we demonstrate that particles with a target dimension are translated in the direction of moving pressure nodes, whereas smaller particles show oscillatory movements. The rate of phase modulation is optimized for separation of target particles from the relationship between mean particle velocity and period of oscillation. The developed technique is applied to separate particles of a target dimension from the particle mixture. Furthermore, we also demonstrate human keratinocyte cells can be separated in the cell and bead mixture. The separation technique is incorporated with a microfluidic channel spanning multiple pressure nodes, which is advantageous over separation in a single pressure node in terms of throughput.

Magnetic Assisted Colloidal Pattern Formation

NASA Astrophysics Data System (ADS)

Yang, Ye

Pattern formation is a mysterious phenomenon occurring at all scales in nature. The beauty of the resulting structures and myriad of resulting properties occurring in naturally forming patterns have attracted great interest from scientists and engineers. One of the most convenient experimental models for studying pattern formation are colloidal particle suspensions, which can be used both to explore condensed matter phenomena and as a powerful fabrication technique for forming advanced materials. In my thesis, I have focused on the study of colloidal patterns, which can be conveniently tracked in an optical microscope yet can also be thermally equilibrated on experimentally relevant time scales, allowing for ground states and transitions between them to be studied with optical tracking algorithms. In particular, I have focused on systems that spontaneously organize due to particle-surface and particle-particle interactions, paying close attention to systems that can be dynamically adjusted with an externally applied magnetic or acoustic field. In the early stages of my doctoral studies, I developed a magnetic field manipulation technique to quantify the adhesion force between particles and surfaces. This manipulation technique is based on the magnetic dipolar interactions between colloidal particles and their "image dipoles" that appear within planar substrate. Since the particles interact with their own images, this system enables massively parallel surface force measurements (>100 measurements) in a single experiment, and allows statistical properties of particle-surface adhesion energies to be extracted as a function of loading rate. With this approach, I was able to probe sub-picoNewton surface interactions between colloidal particles and several substrates at the lowest force loading rates ever achieved. In the later stages of my doctoral studies, I focused on studying patterns formed from particle-particle interaction, which serve as an experimental model of phase transitions in condensed matter systems that can be tracked with single particle resolution. Compared with other research on colloidal crystal formation, my research has focused on multi-component colloidal systems of magnetic and non-magnetic colloids immersed in a ferrofluid. Initially, I studied the types of patterns that form as a function of the concentrations of the different particles and ferrofluid, and I discovered a wide variety of chains, rings and crystals forming in bi-component and tri-component systems. Based on these results, I narrowed my focus to one specific crystal structure (checkerboard lattice) as a model of phase transformations in alloy. Liquid/solid phase transitions were studied by slowly adjusting the magnetic field strength, which serves to control particle-particle interactions in a manner similar to controlling the physical temperature of the fluid. These studies were used to determine the optimal conditions for forming large single crystal structures, and paved the way for my later work on solid/solid phase transitions when the angle of the external field was shifted away from the normal direction. The magnetostriction coefficient of these crystals was measured in low tilt angle of the applied field. At high tilt angles, I observed a variety of martensitic transformations, which followed different pathways depending on the crystal direction relative to the in-plane field. In the last part of my doctoral studies, I investigated colloidal patterns formed in a superimposed acoustic and magnetic field. In this approach, the magnetic field mimics "temperature", while the acoustic field mimics "pressure". The ability to simultaneously tune both temperature and pressure allows for more efficient exploration of phase space. With this technique I demonstrated a large class of particle structures ranging from discrete molecule-like clusters to well ordered crystal phases. Additionally, I demonstrated a crosslinking strategy based on photoacids, which stabilized the structures after the external field was removed. This approach has potential applications in the fabrication of advanced materials. My thesis is arranged as follows. In Chapter 1, I present a brief background of general pattern formation and why I chose to investigate patterns formed in colloidal systems. I also provide a brief review of field-assisted manipulation techniques in order to motivate why I selected magnetic and acoustic field to study colloidal patterns. In chapter 2, I present the theoretical background of magnetic manipulation, which is the main technique used in my research. In this chapter, I will introduce the basic knowledge on magnetic materials and theories behind magnetic manipulation. The underlining thermodynamic mechanisms and theoretical/computational approaches in colloidal pattern formation are also briefly reviewed. In Chapter 3, I focus on using these concepts to study adhesion forces between particle and surfaces. In Chapter 4, I focus on exploring the ground states of colloidal patterns formed from the anti-ferromagnetic interactions of mixtures of particles, as a function of the particle volume fractions. In Chapter 5, I discuss my research on phase transformations of the well-ordered checkerboard phase formed from the equimolar mixture of magnetic and non-magnetic beads in ferrofluid, and I focus mainly on phase transformations in a slowly varying magnetic field. In Chapter 6, I discuss my work on the superimposed magnetic and acoustic field to study patterns formed from monocomponent colloidal suspensions under vertical confinement. Finally, I conclude my thesis in Chapter 7 and discuss future directions and open questions that can be explored in magnetic field directed self-organization in colloidal systems.

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.

206Pb+n resonances for E=600-900 keV: Neutron strength functions

NASA Astrophysics Data System (ADS)

Horen, D. J.; Harvey, J. A.; Hill, N. W.

1981-11-01

Data from high resolution neutron transmission and differential scattering measurements performed on 206Pb have been analyzed for E=600-900 keV. Resonance parameters (i.e., E, l, J, and Γn) have been deduced for many of the 161 resonances observed. Strength functions and potential phase shifts for s-, p-, and d-wave neutrons for En-0-900 keV are compared with optical model calculations. It is found that the phase contributed by the external R function as well as the integrated neutron strength functions can be reproduced for the s and d waves with a well depth of V0=50.4 MeV for the real potential and WD=6.0 MeV for an imaginary surface potential. Somewhat smaller values (V0=48.7 MeV and WD=2.0 MeV) are required to reproduce the p-wave data. These values of the real potential are also found to give the experimentally observed binding energies for the 4s12, 3d32, and 3d52 single particle levels (V0=50.4 MeV), and the 3p12 single particle level (V0=48.7 MeV). Nuclear level densities for s and d waves are found to be well represented by a constant temperature model. However, the model under estimates the number of p-wave resonances. NUCLEAR REACTIONS 206Pb(n), (n,n), E=600-900 keV; measured σT(E), σ(E,θ). 207Pb deduced resonance parameters, Jπ, Γn, neutron strength functions, optical model parameters for l=0,1,2.

Laminar, turbulent, and inertial shear-thickening regimes in channel flow of neutrally buoyant particle suspensions.

PubMed

Lashgari, Iman; Picano, Francesco; Breugem, Wim-Paul; Brandt, Luca

2014-12-19

The aim of this Letter is to characterize the flow regimes of suspensions of finite-size rigid particles in a viscous fluid at finite inertia. We explore the system behavior as a function of the particle volume fraction and the Reynolds number (the ratio of flow and particle inertia to viscous forces). Unlike single-phase flows, where a clear distinction exists between the laminar and the turbulent states, three different regimes can be identified in the presence of a particulate phase, with smooth transitions between them. At low volume fractions, the flow becomes turbulent when increasing the Reynolds number, transitioning from the laminar regime dominated by viscous forces to the turbulent regime characterized by enhanced momentum transport by turbulent eddies. At larger volume fractions, we identify a new regime characterized by an even larger increase of the wall friction. The wall friction increases with the Reynolds number (inertial effects) while the turbulent transport is weakly affected, as in a state of intense inertial shear thickening. This state may prevent the transition to a fully turbulent regime at arbitrary high speed of the flow.

Hapke modeling of Rhea surface properties through Cassini-VIMS spectra

USGS Publications Warehouse

Ciarniello, M.; Capaccioni, F.; Filacchione, G.; Clark, R.N.; Cruikshank, D.P.; Cerroni, P.; Coradini, A.; Brown, R.H.; Buratti, B.J.; Tosi, F.; Stephan, K.

2011-01-01

The surface properties of the icy bodies in the saturnian system have been investigated by means of the Cassini-VIMS (Visual Infrared Mapping Spectrometer) hyperspectral imager which operates in the 0.35-5.1. ??m wavelength range. In particular, we have analyzed 111 full disk hyperspectral images of Rhea ranging in solar phase between 0.08?? and 109.8??. These data have been previously analyzed by Filacchione et al. (Filacchione, G. et al. [2007]. Icarus 186, 259-290; Filacchione, G. et al. [2010]. Icarus 206, 507-523) to study, adopting various "spectral indicators" (such as spectral slopes, band depth, and continuum level), the relations among various saturnian satellites. As a further step we proceed in this paper to a quantitative evaluation of the physical parameters determining the spectrophotometric properties of Rhea's surface. To do this we have applied Hapke (Hapke, B. [1993]. Theory of Reflectance and Emittance Spectroscopy, Topics in Remote Sensing: 3 Springer, Berlin) IMSA model (Isotropic Multiple Scattering Approximation) which allow us to model the phase function at VIS-IR (visible-infrared) wavelengths as well as the spectra taking into account various types of mixtures of surface materials. Thanks to this method we have been able to constrain the size of water ice particles covering the surface, the amount of organic contaminants, the large scale surface roughness and the opposition effect surge. From our analysis it appears that wavelength dependent parameters, e.g. opposition surge width (h) and single-particle phase function parameters (b,. v), are strongly correlated to the estimated single-scattering albedo of particles. For Rhea the best fit solution is obtained by assuming: (1) an intraparticle mixture of crystalline water ice and a small amount (0.4%) of Triton tholin; (2) a monodisperse grain size distribution having a particle diameter am= 38. ??m; and (3) a surface roughness parameter value of 33??. The study of phase function shows that both shadow hiding and coherent backscattering contribute to the opposition surge. This study represents the first attempt, in the case of Rhea, to join the spectral and the photometric analysis. The surface model we derived gives a good quantitative description of both spectrum and phase curve of the satellite. The same approach and model, with appropriate modifications, shall be applied to VIMS data of the other icy satellites of Saturn, in order to reveal similarities and differences in the surface characteristics to understand how these bodies interact with their environment. ?? 2011 Elsevier Inc.

Laser pyrolysis fabrication of ferromagnetic gamma'-Fe4N and FeC nanoparticles

NASA Technical Reports Server (NTRS)

Grimes, C. A.; Qian, D.; Dickey, E. C.; Allen, J. L.; Eklund, P. C.

2000-01-01

Using the laser pyrolysis method, single phase gamma'-Fe4N nanoparticles were prepared by a two step method involving preparation of nanoscale iron oxide and a subsequent gas-solid nitridation reaction. Single phase Fe3C and Fe7C3 could be prepared by laser pyrolysis from Fe(CO)5 and 3C2H4 directly. Characterization techniques such as XRD, TEM and vibrating sample magnetometer were used to measure phase structure, particle size and magnetic properties of these nanoscale nitride and carbide particles. c2000 American Journal of Physics.

Using the Image Analysis Method for Describing Soil Detachment by a Single Water Drop Impact

PubMed Central

Ryżak, Magdalena; Bieganowski, Andrzej

2012-01-01

The aim of the present work was to develop a method based on image analysis for describing soil detachment caused by the impact of a single water drop. The method consisted of recording tracks made by splashed particles on blotting paper under an optical microscope. The analysis facilitated division of the recorded particle tracks on the paper into drops, “comets” and single particles. Additionally, the following relationships were determined: (i) the distances of splash; (ii) the surface areas of splash tracks into relation to distance; (iii) the surface areas of the solid phase transported over a given distance; and (iv) the ratio of the solid phase to the splash track area in relation to distance. Furthermore, the proposed method allowed estimation of the weight of soil transported by a single water drop splash in relation to the distance of the water drop impact. It was concluded that the method of image analysis of splashed particles facilitated analysing the results at very low water drop energy and generated by single water drops.

High-power laser radiation in atmospheric aerosols: Nonlinear optics of aerodispersed media

NASA Astrophysics Data System (ADS)

Zuev, V. E.; Zemlianov, A. A.; Kopytin, Iu. D.; Kuzikovskii, A. V.

The bulk of this book contains the results of investigations carried out at the Institute of Atmospheric Optics, Siberian Branch, USSR Academy of Science with the participation of the authors. The microphysical and optical characteristics of atmospheric aerosols are considered, taking into account light scattering by a single aerosol particle, light scattering by a system of particles, the scattering phase matrix, light scattering by clouds and fogs, light scattering by hazes, and scattering phase functions of polydispersed aerosols. Other topics studies are related to low-energy (subexplosive) effects of radiation on individual particles, the formation of clear zones in clouds and fogs due to the vaporization of droplets under regular regimes, self-action of a wave beam in a water aerosol under conditions of regular droplet vaporization, laser beam propagation through an explosively evaporating water-droplet aerosol, the propagation of high-power laser radiation through hazes, the ionization and optical breakdown in aerosol media, and laser monitoring of a turbid atmosphere using nonlinear effects.

Relativistic distribution function for particles with spin at local thermodynamical equilibrium

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

Becattini, F., E-mail: becattini@fi.infn.it; INFN Sezione di Firenze, Florence; Universität Frankfurt, Frankfurt am Main

2013-11-15

We present an extension of relativistic single-particle distribution function for weakly interacting particles at local thermodynamical equilibrium including spin degrees of freedom, for massive spin 1/2 particles. We infer, on the basis of the global equilibrium case, that at local thermodynamical equilibrium particles acquire a net polarization proportional to the vorticity of the inverse temperature four-vector field. The obtained formula for polarization also implies that a steady gradient of temperature entails a polarization orthogonal to particle momentum. The single-particle distribution function in momentum space extends the so-called Cooper–Frye formula to particles with spin 1/2 and allows us to predict theirmore » polarization in relativistic heavy ion collisions at the freeze-out. -- Highlights: •Single-particle distribution function in local thermodynamical equilibrium with spin. •Polarization of spin 1/2 particles in a fluid at local thermodynamical equilibrium. •Prediction of a new effect: a steady gradient of temperature induces a polarization. •Application to the calculation of polarization in relativistic heavy ion collisions.« less

Hadronic expansion dynamics in central Pb+Pb collisions at 158 GeV per nucleon

DOE PAGES

Appelshäuser, H.

1998-03-24

Two-particle correlation functions of negative hadrons over wide phase space, and transverse mass spectra of negative hadrons and deuterons near mid-rapidity have been measured in central Pb+Pb collisions at 158 GeV per nucleon by the NA49 experiment at the CERN SPS. A novel Coulomb correction procedure for the negative two-particle correlations is employed making use of the measured oppositely charged particle correlation. Within an expanding source scenario these results are used to extract the dynamic characteristics of the hadronic source, resolving the ambiguities between the temperature and transverse expansion velocity of the source, that are unavoidable when single and twomore » particle spectra are analysed separately. Lastly, the source shape, the total duration of the source expansion, the duration of particle emission, the freeze-out temperature and the longitudinal and transverse expansion velocities are deduced.« less

One-dimensional energetic particle quasilinear diffusion for realistic TAE instabilities

NASA Astrophysics Data System (ADS)

Duarte, Vinicius; Ghantous, Katy; Berk, Herbert; Gorelenkov, Nikolai

2014-10-01

Owing to the proximity of the characteristic phase (Alfvén) velocity and typical energetic particle (EP) superthermal velocities, toroidicity-induced Alfvén eigenmodes (TAEs) can be resonantly destabilized endangering the plasma performance. Thus, it is of ultimate importance to understand the deleterious effects on the confinement resulting from fast ion driven instabilities expected in fusion-grade plasmas. We propose to study the interaction of EPs and TAEs using a line broadened quasilinear model, which captures the interaction in both regimes of isolated and overlapping modes. The resonance particles diffuse in the phase space where the problem essentially reduces to one dimension with constant kinetic energy and the diffusion mainly along the canonical toroidal angular momentum. Mode structure and wave particle resonances are computed by the NOVA code and are used in a quasilinear diffusion code that is being written to study the evolution of the distribution function, under the assumption that they can be considered virtually unalterable during the diffusion. A new scheme for the resonant particle diffusion is being proposed that builds on the 1-D nature of the diffusion from a single mode, which leads to a momentum conserving difference scheme even when there is mode overlap.

Dynamic fracture behavior of single and contacting Poly(methyl methacrylate) particles

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

Parab, Niranjan D.; Guo, Zherui; Hudspeth, Matthew C.

Fracture behaviors of single, two, and multiple contacting spherical Poly (methyl methacrylate) (PMMA) particles were recorded using high speed synchrotron X-ray phase contrast imaging. A miniaturized Kolsky bar setup was used to apply dynamic compressive loading on the PMMA particles. In both single and two particle experiments, cracking initiated near the center of the particles and propagated towards the contacts. The crack bifurcated near the contact points for single particle experiments, thus forming conical fragments. The crack bifurcation and subsequent conical fragment formation was observed only at the particle-particle contact for two particle experiments. The particles were observed to fracturemore » in hemispherical fragments normal to the contact plane in the multiparticle experiments. The observed failure mechanisms strongly suggest that the maximum tensile stress near the center of the particle is the critical parameter governing fracture of the particles. Moreover, the compressive stress under the contact areas led to the bifurcation and subsequent conical fragment formation.« less

Dynamic fracture behavior of single and contacting Poly(methyl methacrylate) particles

DOE PAGES

Parab, Niranjan D.; Guo, Zherui; Hudspeth, Matthew C.; ...

2017-09-19

Fracture behaviors of single, two, and multiple contacting spherical Poly (methyl methacrylate) (PMMA) particles were recorded using high speed synchrotron X-ray phase contrast imaging. A miniaturized Kolsky bar setup was used to apply dynamic compressive loading on the PMMA particles. In both single and two particle experiments, cracking initiated near the center of the particles and propagated towards the contacts. The crack bifurcated near the contact points for single particle experiments, thus forming conical fragments. The crack bifurcation and subsequent conical fragment formation was observed only at the particle-particle contact for two particle experiments. The particles were observed to fracturemore » in hemispherical fragments normal to the contact plane in the multiparticle experiments. The observed failure mechanisms strongly suggest that the maximum tensile stress near the center of the particle is the critical parameter governing fracture of the particles. Moreover, the compressive stress under the contact areas led to the bifurcation and subsequent conical fragment formation.« less

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.

Fluctuation-exchange study of antiferromagnetism in disordered electron-doped cuprate superconductors.

PubMed

Yan, Xin-Zhong; Ting, C S

2006-08-11

On the basis of the Hubbard model, we extend the fluctuation-exchange (FLEX) approach to investigating the properties of the antiferromagnetic (AF) phase in electron-doped cuprate superconductors. Furthermore, by incorporating the effect of scatterings due to the disordered dopant atoms into the FLEX formalism, our numerical results show that the antiferromagnetic transition temperature, the onset temperature of pseudogap due to spin fluctuations, the spectral density of the single particle near the Fermi surface, and the staggered magnetization in the AF phase as a function of electron doping can consistently account for the experimental measurements.

Direct observation of phase-sensitive Hong-Ou-Mandel interference

NASA Astrophysics Data System (ADS)

Marek, Petr; Zapletal, Petr; Filip, Radim; Hashimoto, Yosuke; Toyama, Takeshi; Yoshikawa, Jun-ichi; Makino, Kenzo; Furusawa, Akira

2017-09-01

The quality of individual photons and their ability to interfere are traditionally tested by measuring the Hong-Ou-Mandel photon bunching effect. However, this phase-insensitive measurement only tests the particle aspect of the quantum interference, leaving out the phase-sensitive aspects relevant for continuous-variable processing. To overcome these limitations we formulate a witness capable of recognizing both the indistinguishability of the single photons and their quality with regard to their continuous-variable utilization. We exploit the conditional nonclassical squeezing and show that it can reveal both the particle and the wave aspects of the quantum interference in a single set of direct measurements. We experimentally test the witness by applying it to a pair of independent single photons retrieved on demand.

Fluorescence-correlation spectroscopy study of molecular transport within reversed-phase chromatographic particles compared to planar model surfaces.

PubMed

Cooper, Justin; Harris, Joel M

2014-12-02

Reversed-phase liquid chromatography (RPLC) is a widely used technique for molecular separations. Stationary-phase materials for RPLC generally consist of porous silica-gel particles functionalized with n-alkane ligands. Understanding motions of molecules within the interior of these particles is important for developing efficient chromatographic materials and separations. To characterize these dynamics, time-resolved spectroscopic methods (photobleach recovery, fluorescence correlation, single-molecule imaging) have been adapted to measure molecular diffusion rates, typically at n-alkane-modified planar silica surfaces, which serve as models of chromatographic interfaces. A question arising from these studies is how dynamics of molecules on a planar surface relate to motions of molecules within the interior of a porous chromatographic particle. In this paper, imaging-fluorescence-correlation spectroscopy is used to measure diffusion rates of a fluorescent probe molecule 1,1'-dioctadecyl-3,3,3'3'-tetramethylindocarbocyanine perchlorate (DiI) within authentic RPLC porous silica particles and compared with its diffusion at a planar C18-modified surface. The results show that surface diffusion on the planar C18 substrate is much faster than the diffusion rate of the probe molecule through a chromatographic particle. Surface diffusion within porous particles, however, is governed by molecular trajectories along the tortuous contours of the interior surface of the particles. By accounting for the greater surface area that a molecule must explore to diffuse macroscopic distances through the particle, the molecular-scale diffusion rates on the two surfaces can be compared, and they are virtually identical. These results provide support for the relevance of surface-diffusion measurements made on planar model surfaces to the dynamic behavior of molecules on the internal surfaces of porous chromatographic particles.

Phase transitions in a system of hard Y-shaped particles on the triangular lattice

NASA Astrophysics Data System (ADS)

Mandal, Dipanjan; Nath, Trisha; Rajesh, R.

2018-03-01

We study the different phases and the phase transitions in a system of Y-shaped particles, examples of which include immunoglobulin-G and trinaphthylene molecules, on a triangular lattice interacting exclusively through excluded volume interactions. Each particle consists of a central site and three of its six nearest neighbors chosen alternately, such that there are two types of particles which are mirror images of each other. We study the equilibrium properties of the system using grand canonical Monte Carlo simulations that implement an algorithm with cluster moves that is able to equilibrate the system at densities close to full packing. We show that, with increasing density, the system undergoes two entropy-driven phase transitions with two broken-symmetry phases. At low densities, the system is in a disordered phase. As intermediate phases, there is a solidlike sublattice phase in which one type of particle is preferred over the other and the particles preferentially occupy one of four sublattices, thus breaking both particle symmetry as well as translational invariance. At even higher densities, the phase is a columnar phase, where the particle symmetry is restored, and the particles preferentially occupy even or odd rows along one of the three directions. This phase has translational order in only one direction, and breaks rotational invariance. From finite-size scaling, we demonstrate that both the transitions are first order in nature. We also show that the simpler system with only one type of particle undergoes a single discontinuous phase transition from a disordered phase to a solidlike sublattice phase with an increasing density of particles.

Two-Point Microrheology of Phase-Separated Domains in Lipid Bilayers

PubMed Central

Hormel, Tristan T.; Reyer, Matthew A.; Parthasarathy, Raghuveer

2015-01-01

Though the importance of membrane fluidity for cellular function has been well established for decades, methods for measuring lipid bilayer viscosity remain challenging to devise and implement. Recently, approaches based on characterizing the Brownian dynamics of individual tracers such as colloidal particles or lipid domains have provided insights into bilayer viscosity. For fluids in general, however, methods based on single-particle trajectories provide a limited view of hydrodynamic response. The technique of two-point microrheology, in which correlations between the Brownian dynamics of pairs of tracers report on the properties of the intervening medium, characterizes viscosity at length-scales that are larger than that of individual tracers and has less sensitivity to tracer-induced distortions, but has never been applied to lipid membranes. We present, to our knowledge, the first two-point microrheological study of lipid bilayers, examining the correlated motion of domains in phase-separated lipid vesicles and comparing one- and two-point results. We measure two-point correlation functions in excellent agreement with the forms predicted by two-dimensional hydrodynamic models, analysis of which reveals a viscosity intermediate between those of the two lipid phases, indicative of global fluid properties rather than the viscosity of the local neighborhood of the tracer. PMID:26287625

Special Features of the Structure of Single-Crystal Refractory Nickel Alloy Under Directed Crystallization

NASA Astrophysics Data System (ADS)

Bondarenko, Yu. A.; Echin, A. B.; Surova, V. A.; Kolodyazhnyi, M. Yu.

2017-05-01

The effect of the conditions of directed crystallization (the temperature gradient and the crystallization rate) on the dendrite spacing, on the size of the particles of the hardening γ'-phase in the arms and arm spaces of the dendrites, on the volume fraction and size of the pores, on the size of the particles of the eutectic γ/γ'-phase, and on the features of dendritic segregation in a single-crystal castable refractory alloy is studied.

Nickel ferrite aerogels with monodisperse nanoscale building blocks--the importance of processing temperature and atmosphere.

PubMed

Pettigrew, Katherine A; Long, Jeffrey W; Carpenter, Everett E; Baker, Colin C; Lytle, Justin C; Chervin, Christopher N; Logan, Michael S; Stroud, Rhonda M; Rolison, Debra R

2008-04-01

Using two-step (air/argon) thermal processing, sol-gel-derived nickel-iron oxide aerogels are transformed into monodisperse, networked nanocrystalline magnetic oxides of NiFe(2)O(4) with particle diameters that can be ripened with increasing temperature under argon to 4.6, 6.4, and 8.8 nm. Processing in air alone yields poorly crystalline materials; heating in argon alone leads to single phase, but diversiform, polydisperse NiFe(2)O(4), which hampers interpretation of the magnetic properties of the nanoarchitectures. The two-step method yields an improved model system to study magnetic effects as a function of size on the nanoscale while maintaining the particles within the size regime of single domain magnets, as networked building blocks, not agglomerates, and without stabilizing ligands capping the surface.

Real-Time Measurements of Gas/Particle Partitioning of Semivolatile Organic Compounds into Different Probe Particles in a Teflon Chamber

NASA Astrophysics Data System (ADS)

Liu, X.; Day, D. A.; Ziemann, P. J.; Krechmer, J. E.; Jimenez, J. L.

2017-12-01

The partitioning of semivolatile organic compounds (SVOCs) into and out of particles plays an essential role in secondary organic aerosol (SOA) formation and evolution. Most atmospheric models treat the gas/particle partitioning as an equilibrium between bulk gas and particle phases, despite potential kinetic limitations and differences in thermodynamics as a function of SOA and pre-existing OA composition. This study directly measures the partitioning of oxidized compounds in a Teflon chamber in the presence of single component seeds of different phases and polarities, including oleic acid, squalane, dioctyl sebacate, pentaethylene glycol, dry/wet ammonium sulfate, and dry/wet sucrose. The oxidized compounds are generated by a fast OH oxidation of a series of alkanols under high nitric oxide conditions. The observed SOA mass enhancements are highest with oleic acid, and lowest with wet ammonium sulfate and sucrose. A chemical ionization mass spectrometer (CIMS) was used to measure the decay of gas-phase organic nitrates, which reflects uptake by particles and chamber walls. We observed clear changes in equilibrium timescales with varying seed concentrations and in equilibrium gas-phase concentrations across different seeds. In general, the gas evolution can be reproduced by a kinetic box model that considers partitioning and evaporation with particles and chamber walls, except for the wet sucrose system. The accommodation coefficient and saturation mass concentration of each species in the presence of each seed are derived using the model. The changes in particle size distributions and composition monitored by a scanning mobility particle sizer (SMPS) and a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) are investigated to probe the SOA formation mechanism. Based on these results, the applicability of partitioning theory to these systems and the relevant quantitative parameters, including the dependencies on seed particle composition, will be discussed.

Mars Aerosol Studies with the MGS TES Emission Phase Function Observations: Opacities, Particle Sizes, and Ice Cloud Types

NASA Astrophysics Data System (ADS)

Wolff, M. J.; Clancy, R. T.; Pitman, K. M.; Christensen, P. R.; Whitney, B. A.

2001-11-01

A full Mars year (1999-2001) of emission phase function (EPF) observations from Mars Global Surveyor (MGS) Thermal Emission Spectrometer (TES) provide the most complete study of Mars dust and ice aerosol properties to date. TES visible (solar band average) and infrared spectral EPF sequences are analyzed self-consistently with detailed multiple scattering radiative transfer codes. As a consequence of the combined angular and wavelength coverage, we are able to define two distinct ice cloud types at 45\\arcdeg S-45\\arcdeg N latitudes on Mars. Type I ice clouds exhibit small particle sizes (1-2 \\micron\\ radii), as well as a broad, deep minimum in side-scattering that are potentially indicative of aligned ice grains. Type I ice aerosols are most prevalent in the southern hemisphere during Mars aphelion, but also appear more widely distributed in season and latitude as topographic and high altitude (>20 km) ice hazes. Type II ice clouds exhibit larger particle sizes (3-5 \\micron) and a much narrower side-scattering minimum, indicative of poorer grain alignment or a change in particle shape relative to the type I ice clouds. Type II ice clouds appear most prominently in the northern subtropical aphelion cloud belt, where relatively low altitudes water vapor saturation (10 km) coincide with strong advective transport. Retrieved dust particle radii of 1.5-1.8 \\micron\\ are consistent with Pathfinder and recent Viking/Mariner 9 reanalyses. Our analyses also find EPF-derived dust single scattering albedos (ssa) in agreement with those from Pathfinder. Spatial and seasonal changes in the dust ssa (0.92-0.95, solar band average) and phase functions suggest possible dust property variations, but may also be a consequence of variable high altitude ice hazes. The annual variations of both dust and ice clouds at 45S-45N latitudes are predominately orbital rather than seasonal in character and have shown remarkable repeatability during the portions of two Mars years observed by MGS.

Impact of nanostructuring on the magnetic and magnetocaloric properties of microscale phase-separated La 5/8–yPr yCa 3/8MnO₃ manganites

DOE PAGES

Bingham, N. S.; Lampen, P.; Phan, M. H.; ...

2012-08-16

Bulk manganites of the form La 5/8–yPr yCa 3/8MnO₃ (LPCMO) exhibit a complex phase diagram due to coexisting charge-ordered antiferromagnetic (CO/AFM), charge-disordered paramagnetic (PM), and ferromagnetic (FM) phases. Because phase separation in LPCMO occurs on the microscale, reducing particle size to below this characteristic length is expected to have a strong impact on the magnetic properties of the system. Through a comparative study of the magnetic and magnetocaloric properties of single-crystalline (bulk) and nanocrystalline LPCMO (y=3/8) we show that the AFM, CO, and FM transitions seen in the single crystal can also be observed in the large particle sizes (400more » and 150 nm), while only a single PM to FM transition is found for the small particles (55 nm). Magnetic and magnetocaloric measurements reveal that decreasing particle size affects the balance of competing phases in LPCMO and narrows the range of fields over which PM, FM, and CO phases coexist. The FM volume fraction increases with size reduction, until CO is suppressed below some critical size, ~100 nm. With size reduction, the saturation magnetization and field sensitivity first increase as long-range CO is inhibited, then decrease as surface effects become increasingly important. The trend that the FM phase is stabilized on the nanoscale is contrasted with the stabilization of the charge-disordered PM phase occurring on the microscale, demonstrating that in terms of the characteristic phase separation length, a few microns and several hundred nanometers represent very different regimes in LPCMO.« less

Single-Particle Tracking of Human Immunodeficiency Virus Type 1 Productive Entry into Human Primary Macrophages.

PubMed

Li, Qin; Li, Wei; Yin, Wen; Guo, Jia; Zhang, Zhi-Ping; Zeng, Dejun; Zhang, Xiaowei; Wu, Yuntao; Zhang, Xian-En; Cui, Zongqiang

2017-04-25

Macrophages are one of the major targets of human immunodeficiency virus (HIV-1), but the viral entry pathway remains poorly understood in these cells. Noninvasive virus labeling and single-virus tracking are effective tools for studying virus entry. Here, we constructed a quantum dot (QD)-encapsulated infectious HIV-1 particle to track viral entry at a single-particle level in live human primary macrophages. QDs were encapsulated in HIV-1 virions by incorporating viral accessory protein Vpr-conjugated QDs during virus assembly. With the HIV-1 particles encapsulating QDs, we monitored the early phase of viral infection in real time and observed that, during infection, HIV-1 was endocytosed in a clathrin-mediated manner; the particles were translocated into Rab5A-positive endosomes, and the core was released into the cytoplasm by viral envelope-mediated endosomal fusion. Drug inhibition assays verified that endosome fusion contributes to HIV-1 productive infection in primary macrophages. Additionally, we observed that a dynamic actin cytoskeleton is critical for HIV-1 entry and intracellular migration in primary macrophages. HIV-1 dynamics and infection could be blocked by multiple different actin inhibitors. Our study revealed a productive entry pathway in macrophages that requires both endosomal function and actin dynamics, which may assist in the development of inhibitors to block the HIV entry in macrophages.

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

Topics in Diffusion Limited Reaction Processes

NASA Astrophysics Data System (ADS)

Lin, Jian-Cheng

We study, both theoretically and numerically, the macroscopic particle concentration in a class of simple diffusion-limited reactions: one species coagulation A + A to A, reversible coagulation A + A rightleftharpoons A, A + A to A with particle input, A + A rightleftharpoons A with particle input, single species annihilation A + A to inert, and two species annihilation A + B to inert. The main interest is in the asymptotic behavior of the particle concentration. We review the standard mean-field theory, mass-reaction kinetics and the associated nonlinear rate and diffusion-reaction equations. Theoretically we study the concentration using several closure schemes for truncating the infinite hierarchy of the kinetic equations for the joint density functions. Our goal is to evaluate the quality of some nonsystematic approximations by comparison with exact solutions. It is found that these approximations are very good at capturing the asymptotic behavior of the particle concentrations in the irreversible reactions, while they fail to predict the far-from-equilibrium dynamic phase transition in the one dimensional reversible coagulation reaction predicted by exact results. Numerically we use Monte Carlo simulation to study concentrations in the single species reversible coagulation process. In one dimension the numerical results are in excellent agreement with the exact analytic results. In two dimensions, our simulation data in the transient states suggest an interesting scaling for the deviation of the concentration from its equilibrium value, delta C(t) ~ exp( -beta(C_0)t^{alpha(C_0) }), where alpha(C_0) and beta(C_0) are functions of the initial concentration C_0. However, it seems unlikely to be able to answer the question of the existence of a dynamic phase transition in two dimensions by Monte Carlo simulation within a reasonable CPU time due to the long persistence of the transient states. In an appendix we solve exactly an annihilation-related percolation problem.

Laboratory Studies of the Optical Properties and Condensation Processes of Cosmic Dust Grains

NASA Technical Reports Server (NTRS)

Abbas, M. M.; Craven, P. D.; Spann, J. F.; Tankosic, D.; LeClair, A.; West, E.; Sheldon, R.; Witherow, W. K.; Gallagher, D. L.; Adrian, M. L.

2002-01-01

A laboratory facility for conducting a variety of experiments on single isolated dust particles of astrophysical interest levitated in an electrodynamics balance has been developed at NASA/Marshall Space Flight Center. The objective of the research is to employ this experimental technique for studies of the physical and optical properties of individual cosmic dust grains of 0.1-100 micron size in controlled pressure/temperatures environments simulating astrophysical conditions. The physical and optical properties of the analogs of interstellar and interplanetary dust grains of known composition and size distribution will be investigated by this facility. In particular, we will carry out three classes of experiments to study the micro-physics of cosmic dust grains. (1) Charge characteristics of micron size single dust grains to determine the photoelectric efficiencies, yields, and equilibrium potentials when exposed to UV radiation. (2) Infrared optical properties of dust particles (extinction coefficients and scattering phase functions) in the 1-30 micron region using infrared diode lasers and measuring the scattered radiation. (3) Condensation experiments to investigate the condensation of volatile gases on colder nucleated particles in dense interstellar clouds and lower planetary atmospheres. The condensation experiments will involve levitated nucleus dust grains of known composition and initial mass (or m/q ratio), cooled to a temperature and pressure (or scaled pressure) simulating the astrophysical conditions, and injection of a volatile gas at a higher temperature from a controlled port. The increase in the mass due to condensation on the particle will be monitored as a function of the dust particle temperature and the partial pressure of the injected volatile gas. The measured data will permit determination of the sticking coefficients of volatile gases and growth rates of dust particles of astrophysical interest. Some preliminary results based on measurements of photoelectric emission and radiation pressure on single isolated 0.2 to 6.6 micron size silica particles exposed to UV radiation at 120-200 nm and green laser light at 532 nm are presented.

A new single-particle basis for nuclear many-body calculations

NASA Astrophysics Data System (ADS)

Puddu, G.

2017-10-01

Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon-nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon-nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

NASA Astrophysics Data System (ADS)

Minier, Jean-Pierre; Chibbaro, Sergio; Pope, Stephen B.

2014-11-01

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangian stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.

Guidelines for the formulation of Lagrangian stochastic models for particle simulations of single-phase and dispersed two-phase turbulent flows

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

Minier, Jean-Pierre, E-mail: Jean-Pierre.Minier@edf.fr; Chibbaro, Sergio; Pope, Stephen B.

In this paper, we establish a set of criteria which are applied to discuss various formulations under which Lagrangian stochastic models can be found. These models are used for the simulation of fluid particles in single-phase turbulence as well as for the fluid seen by discrete particles in dispersed turbulent two-phase flows. The purpose of the present work is to provide guidelines, useful for experts and non-experts alike, which are shown to be helpful to clarify issues related to the form of Lagrangian stochastic models. A central issue is to put forward reliable requirements which must be met by Lagrangianmore » stochastic models and a new element brought by the present analysis is to address the single- and two-phase flow situations from a unified point of view. For that purpose, we consider first the single-phase flow case and check whether models are fully consistent with the structure of the Reynolds-stress models. In the two-phase flow situation, coming up with clear-cut criteria is more difficult and the present choice is to require that the single-phase situation be well-retrieved in the fluid-limit case, elementary predictive abilities be respected and that some simple statistical features of homogeneous fluid turbulence be correctly reproduced. This analysis does not address the question of the relative predictive capacities of different models but concentrates on their formulation since advantages and disadvantages of different formulations are not always clear. Indeed, hidden in the changes from one structure to another are some possible pitfalls which can lead to flaws in the construction of practical models and to physically unsound numerical calculations. A first interest of the present approach is illustrated by considering some models proposed in the literature and by showing that these criteria help to assess whether these Lagrangian stochastic models can be regarded as acceptable descriptions. A second interest is to indicate how future developments can be safely built, which is also relevant for stochastic subgrid models for particle-laden flows in the context of Large Eddy Simulations.« less

Particle Scattering in the Resonance Regime: Full-Wave Solution for Axisymmetric Particles with Large Aspect Ratios

NASA Technical Reports Server (NTRS)

Zuffada, Cinzia; Crisp, David

1997-01-01

Reliable descriptions of the optical properties of clouds and aerosols are essential for studies of radiative transfer in planetary atmospheres. The scattering algorithms provide accurate estimates of these properties for spherical particles with a wide range of sizes and refractive indices, but these methods are not valid for non-spherical particles (e.g., ice crystals, mineral dust, and smoke). Even though a host of methods exist for deriving the optical properties of nonspherical particles that are very small or very large compared with the wavelength, only a few methods are valid in the resonance regime, where the particle dimensions are comparable with the wavelength. Most such methods are not ideal for particles with sharp edges or large axial ratios. We explore the utility of an integral equation approach for deriving the single-scattering optical properties of axisymmetric particles with large axial ratios. The accuracy of this technique is shown for spheres of increasing size parameters and an ensemble of randomly oriented prolate spheroids of size parameter equal to 10.079368. In this last case our results are compared with published results obtained with the T-matrix approach. Next we derive cross sections, single-scattering albedos, and phase functions for cylinders, disks, and spheroids of ice with dimensions extending from the Rayleigh to the geometric optics regime. Compared with those for a standard surface integral equation method, the storage requirement and the computer time needed by this method are reduced, thus making it attractive for generating databases to be used in multiple-scattering calculations. Our results show that water ice disks and cylinders are more strongly absorbing than equivalent volume spheres at most infrared wavelengths. The geometry of these particles also affects the angular dependence of the scattering. Disks and columns with maximum linear dimensions larger than the wavelength scatter much more radiation in the forward and backward directions and much less radiation at intermediate phase angles than equivalent volume spheres.

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.

DOE SBIR Phase-1 Report on Hybrid CPU-GPU Parallel Development of the Eulerian-Lagrangian Barracuda Multiphase Program

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

Dr. Dale M. Snider

2011-02-28

This report gives the result from the Phase-1 work on demonstrating greater than 10x speedup of the Barracuda computer program using parallel methods and GPU processors (General-Purpose Graphics Processing Unit or Graphics Processing Unit). Phase-1 demonstrated a 12x speedup on a typical Barracuda function using the GPU processor. The problem test case used about 5 million particles and 250,000 Eulerian grid cells. The relative speedup, compared to a single CPU, increases with increased number of particles giving greater than 12x speedup. Phase-1 work provided a path for reformatting data structure modifications to give good parallel performance while keeping a friendlymore » environment for new physics development and code maintenance. The implementation of data structure changes will be in Phase-2. Phase-1 laid the ground work for the complete parallelization of Barracuda in Phase-2, with the caveat that implemented computer practices for parallel programming done in Phase-1 gives immediate speedup in the current Barracuda serial running code. The Phase-1 tasks were completed successfully laying the frame work for Phase-2. The detailed results of Phase-1 are within this document. In general, the speedup of one function would be expected to be higher than the speedup of the entire code because of I/O functions and communication between the algorithms. However, because one of the most difficult Barracuda algorithms was parallelized in Phase-1 and because advanced parallelization methods and proposed parallelization optimization techniques identified in Phase-1 will be used in Phase-2, an overall Barracuda code speedup (relative to a single CPU) is expected to be greater than 10x. This means that a job which takes 30 days to complete will be done in 3 days. Tasks completed in Phase-1 are: Task 1: Profile the entire Barracuda code and select which subroutines are to be parallelized (See Section Choosing a Function to Accelerate) Task 2: Select a GPU consultant company and jointly parallelize subroutines (CPFD chose the small business EMPhotonics for the Phase-1 the technical partner. See Section Technical Objective and Approach) Task 3: Integrate parallel subroutines into Barracuda (See Section Results from Phase-1 and its subsections) Task 4: Testing, refinement, and optimization of parallel methodology (See Section Results from Phase-1 and Section Result Comparison Program) Task 5: Integrate Phase-1 parallel subroutines into Barracuda and release (See Section Results from Phase-1 and its subsections) Task 6: Roadmap of Phase-2 (See Section Plan for Phase-2) With the completion of Phase 1 we have the base understanding to completely parallelize Barracuda. An overview of the work to move Barracuda to a parallelized code is given in Plan for Phase-2.« less

Application of two-component phase Doppler interferometry to the measurement of particle size, mass flux, and velocities in two-phase flows

NASA Technical Reports Server (NTRS)

Mcdonell, V. G.; Samuelsen, G. S.

1989-01-01

Two-component phase Doppler interferometry is described, along with its application for the spatially-resolved measurements of particle size, velocity, and mass flux as well as continuous phase velocity. This technique measures single particle events at a point in the flow; droplet size is deduced from the spatial phase shift of the Doppler signal. Particle size influence and discrimination of continuous and discrete phases are among issues covered. Applications are presented for four cases: an example of the discrimination of two sizes of glass beads in a jet flow; a demonstration of the discrimination of phases in a spray field; an assessment of atomizer symmetry with respect to fuel distribution; and a characterization of a droplet field in a reacting spray. It is noted that the above technique is especially powerful in delineating droplet interactions in the swirling, complex flows typical of realistic systems.

Morphologically and size uniform monodisperse particles and their shape-directed self-assembly

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

Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen

2017-09-12

Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Alsomore » disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.« less

Morphologically and size uniform monodisperse particles and their shape-directed self-assembly

DOEpatents

Collins, Joshua E.; Bell, Howard Y.; Ye, Xingchen; Murray, Christopher Bruce

2015-11-17

Monodisperse particles having: a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology are disclosed. Due to their uniform size and shape, the monodisperse particles self assemble into superlattices. The particles may be luminescent particles such as down-converting phosphor particles and up-converting phosphors. The monodisperse particles of the invention have a rare earth-containing lattice which in one embodiment may be an yttrium-containing lattice or in another may be a lanthanide-containing lattice. The monodisperse particles may have different optical properties based on their composition, their size, and/or their morphology (or shape). Also disclosed is a combination of at least two types of monodisperse particles, where each type is a plurality of monodisperse particles having a single pure crystalline phase of a rare earth-containing lattice, a uniform three-dimensional size, and a uniform polyhedral morphology; and where the types of monodisperse particles differ from one another by composition, by size, or by morphology. In a preferred embodiment, the types of monodisperse particles have the same composition but different morphologies. Methods of making and methods of using the monodisperse particles are disclosed.

High-lying single-particle modes, chaos, correlational entropy, and doubling phase transition

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

Stoyanov, Chavdar; Zelevinsky, Vladimir

Highly excited single-particle states in nuclei are coupled with the excitations of a more complex character, first of all with collective phononlike modes of the core. In the framework of the quasiparticle-phonon model, we consider the structure of resulting complex configurations, using the 1k{sub 17/2} orbital in {sup 209}Pb as an example. Although, on the level of one- and two-phonon admixtures, the fully chaotic Gaussian orthogonal ensemble regime is not reached, the eigenstates of the model carry a significant degree of complexity that can be quantified with the aid of correlational invariant entropy. With artificially enhanced particle-core coupling, the systemmore » undergoes the doubling phase transition with the quasiparticle strength concentrated in two repelling peaks. This phase transition is clearly detected by correlational entropy.« less

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

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.

Single-particle and collective excitations in quantum wires made up of vertically stacked quantum dots: zero magnetic field.

PubMed

Kushwaha, Manvir S

2011-09-28

We report on the theoretical investigation of the elementary electronic excitations in a quantum wire made up of vertically stacked self-assembled InAs/GaAs quantum dots. The length scales (of a few nanometers) involved in the experimental setups prompt us to consider an infinitely periodic system of two-dimensionally confined (InAs) quantum dot layers separated by GaAs spacers. The resultant quantum wire is characterized by a two-dimensional harmonic confining potential in the x-y plane and a periodic (Kronig-Penney) potential along the z (or the growth) direction within the tight-binding approximation. Since the wells and barriers are formed from two different materials, we employ the Bastard's boundary conditions in order to determine the eigenfunctions along the z direction. These wave functions are then used to generate the Wannier functions, which, in turn, constitute the legitimate Bloch functions that govern the electron dynamics along the direction of periodicity. Thus, the Bloch functions and the Hermite functions together characterize the whole system. We then make use of the Bohm-Pines' (full) random-phase approximation in order to derive a general nonlocal, dynamic dielectric function. Thus, developed theoretical framework is then specified to work within a (lowest miniband and) two-subband model that enables us to scrutinize the single-particle as well as collective responses of the system. We compute and discuss the behavior of the eigenfunctions, band-widths, density of states, Fermi energy, single-particle and collective excitations, and finally size up the importance of studying the inverse dielectric function in relation with the quantum transport phenomena. It is remarkable to notice how the variation in the barrier- and well-widths can allow us to tailor the excitation spectrum in the desired energy range. Given the advantage of the vertically stacked quantum dots over the planar ones and the foreseen applications in the single-electron devices and in the quantum computation, it is quite interesting and important to explore the electronic, optical, and transport phenomena in such systems. © 2011 American Institute of Physics

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.

Single particle nonlocality, geometric phases and time-dependent boundary conditions

NASA Astrophysics Data System (ADS)

Matzkin, A.

2018-03-01

We investigate the issue of single particle nonlocality in a quantum system subjected to time-dependent boundary conditions. We discuss earlier claims according to which the quantum state of a particle remaining localized at the center of an infinite well with moving walls would be specifically modified by the change in boundary conditions due to the wall’s motion. We first prove that the evolution of an initially localized Gaussian state is not affected nonlocally by a linearly moving wall: as long as the quantum state has negligible amplitude near the wall, the boundary motion has no effect. This result is further extended to related confined time-dependent oscillators in which the boundary’s motion is known to give rise to geometric phases: for a Gaussian state remaining localized far from the boundaries, the effect of the geometric phases is washed out and the particle dynamics shows no traces of a nonlocal influence that would be induced by the moving boundaries.

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.

Carbon attrition during the circulating fluidized bed combustion of a packaging-derived fuel

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

Mastellone, M.L.; Arena, U.

1999-05-01

Cylindrical pellets of a market-available packaging-derived fuel, obtained from a mono-material collection of polyethylene terephthalate (PET) bottles, were batchwise fed to a laboratory scale circulating fluidized bed (CFB) combustor. The apparatus, whose riser was 41 mm ID and 4 m high, was operated under both inert and oxidizing conditions to establish the relative importance of purely mechanical attrition and combustion-assisted attrition in generating carbon fines. Silica sand particles of two size distributions were used as inert materials. For each run, carbon load and carbon particle size distribution in the riser and rates of attrited carbon fines escaping the combustor weremore » determined as a function of time. A parallel investigation was carried out with a bubbling fluidized bed (BFB) combustor to point out peculiarities of attrition in CFB combustors. After devolatilization, PET pellets generated fragile aggregates of char and sand, which easily crumbled, leading to single particles, partially covered by a carbon-rich layer. The injected fixed carbon was therefore present in the bed in three phases: an A-phase, made of aggregates of sand and char, an S-phase, made of individual carbon-covered sand particles and an F-phase, made of carbon fines, abraded by the surfaces of the A- and S-phases. The effects of the size of inert material on the different forms under which fixed carbon was present in the bed and on the rate of escape of attrited carbon fines from the combustor were investigated. Features of carbon attrition in CFB and BFB combustors are discussed.« less

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

DOE PAGES

Ku, S.; Hager, R.; Chang, C. S.; ...

2016-04-01

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. In conclusion, the numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

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

Ku, S.; Hager, R.; Chang, C. S.

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. In conclusion, the numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less

A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

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

Ku, S., E-mail: sku@pppl.gov; Hager, R.; Chang, C.S.

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles providemore » scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.« less

Defense Small Business Innovation Research Program (SBIR). Abstracts of Phase II Awards. 1985.

DTIC Science & Technology

1985-01-01

SILICIDES : NEW SILICON COMPATIBLE ELECTRO-OPTIC MATERIALS TOPIC: 3 OFFICE: DARPA THE GOAL OF THIS WORK IS TO OBTAIN SINGLE CRYSTAL FILMS OF SEMI...CONSTITUENTS. CON- STITUENTS WITH IONIZATION POTENTIALS COMPARABLE TO THE WORK FUNCTION A ARE EVOLVED AS POSITIVE IONS (USUALLY SODIUM ATOMIC IONS FROM... SODIUM COMPOUND IMPURITIES). ARRIVAL OF A PARTICLE AT THE SURFACE CAUSES A BURST OF MANY IONS WHICH ARE DRAWN TO A NEARBY ION COLLECTOR ELECT- RODE

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.

Parameterization of single-scattering properties of snow

NASA Astrophysics Data System (ADS)

Räisänen, Petri; Kokhanovsky, Alexander; Guyot, Gwennole; Jourdan, Olivier; Nousiainen, Timo

2015-04-01

Snow consists of non-spherical ice grains of various shapes and sizes, which are surrounded by air and sometimes covered by films of liquid water. Still, in many studies, homogeneous spherical snow grains have been assumed in radiative transfer calculations, due to the convenience of using Mie theory. More recently, second-generation Koch fractals have been employed. While they produce a relatively flat scattering phase function typical of deformed non-spherical particles, this is still a rather ad-hoc choice. Here, angular scattering measurements for blowing snow conducted during the CLimate IMpacts of Short-Lived pollutants In the Polar region (CLIMSLIP) campaign at Ny Ålesund, Svalbard, are used to construct a reference phase function for snow. Based on this phase function, an optimized habit combination (OHC) consisting of severely rough (SR) droxtals, aggregates of SR plates and strongly distorted Koch fractals is selected. The single-scattering properties of snow are then computed for the OHC as a function of wavelength λ and snow grain volume-to-projected area equivalent radius rvp. Parameterization equations are developed for λ=0.199-2.7 μm and rvp = 10-2000 μm, which express the single-scattering co-albedo β, the asymmetry parameter g and the phase function as functions of the size parameter and the real and imaginary parts of the refractive index. Compared to the reference values computed for the OHC, the accuracy of the parameterization is very high for β and g. This is also true for the phase function parameterization, except for strongly absorbing cases (β > 0.3). Finally, we consider snow albedo and reflected radiances for the suggested snow optics parameterization, making comparisons with spheres and distorted Koch fractals. Further evaluation and validation of the proposed approach against (e.g.) bidirectional reflectance and polarization measurements for snow is planned. At any rate, it seems safe to assume that the OHC selected here provides a substantially better basis for representing the single-scattering properties of snow than spheres do. Moreover, the parameterizations developed here are analytic and simple to use, and they can also be applied to the treatment of dirty snow following (e.g.) the approach of Kokhanovsky (The Cryosphere, 7, 1325-1331, doi:10.5194/tc-7-1325-2013, 2013). This should make them an attractive option for use in radiative transfer applications involving snow.

Determination of mixing state and sources of wintertime organic aerosol in Paris using single particle mass spectrometry

NASA Astrophysics Data System (ADS)

Healy, R. M.; Sciare, J.; Poulain, L.; Wiedensohler, A.; Jeong, C.; McGuire, M.; Evans, G. J.; McGillicuddy, E.; O'Connor, I. P.; Sodeau, J. R.; Wenger, J.

2012-12-01

The size-resolved chemical composition of single particles at an urban background site in Paris, France, was determined using an Aerosol Time-Of-Flight Mass Spectrometer (ATOFMS) as part of the MEGAPOLI winter campaign in January/February 2010. A variety of mixing states were identified for organic aerosol by mass spectral clustering and apportioned to both fossil fuel and biomass burning sources. The ATOFMS data were scaled in order to produce mass concentration estimates for each organic aerosol particle type identified. Potassium-containing organic aerosol internally mixed with nitrate, associated with local wood burning, was observed to dominate during periods characterised by marine air masses. Sulfate-rich potassium-containing organic aerosol, associated with transboundary transport of biomass burning emissions, dominated during periods influenced by continental air masses. The scaled total mass concentration for potassium-containing particles was well correlated (R2 = 0.79) with concurrent measurements of potassium mass concentration measured with a Particle-Into-Liquid-Sampler (PILS). Another organic particle type, also containing potassium but rich in trimethylamine and sulfate, was detected exclusively during continental air mass events. These particles are postulated to have accumulated gas phase trimethylamine through heterogeneous reaction before arriving at the sampling site. Potential source regions for transboundary organic aerosols have been investigated using the potential source contribution function (PSCF). Comparison with aerosol mass spectrometer (AMS) measurements will also be discussed.

Dual responsive dysprosium-doped hydroxyapatite particles and toxicity reduction after functionalization with folic and glucuronic acids.

PubMed

Sánchez Lafarga, Ana Karen; Pacheco Moisés, Fermín P; Gurinov, Andrey; Ortiz, Genaro Gabriel; Carbajal Arízaga, Gregorio Guadalupe

2015-03-01

The development of probes for biomedical applications demands materials with low toxicity levels besides fluorescence or magnetic properties to be detected by confocal microscopes or MRI resonators. Several drug delivery systems or other biomedical materials prepared with hydroxyapatite have been proposed, however, toxicity effects might arise when the size of particles is nanometric. In this study, hydroxyapatite functionalized with glucuronic or folic acids presented lower oxidative stress, measured from lipoperoxides and nitric oxide indicators in rats than pure hydroxyapatite. In separated experiments, hydroxyapatite was doped with dysprosium cations by coprecipitation producing a single crystal phase with fluorescent properties easily visualized by confocal microscopy when excited at 488nm. These particles also presented the ability to modify the proton relaxation time in T1 maps collected by magnetic resonance imaging. These modified hydroxyapatite nanoparticles could be candidates to design bimodal probes with low toxicity. Copyright © 2014 Elsevier B.V. All rights reserved.

Encoding the structure of many-body localization with matrix product operators

NASA Astrophysics Data System (ADS)

Pekker, David; Clark, Bryan K.

2017-01-01

Anderson insulators are noninteracting disordered systems which have localized single-particle eigenstates. The interacting analog of Anderson insulators are the many-body localized (MBL) phases. The spectrum of the many-body eigenstates of an Anderson insulator is efficiently represented as a set of product states over the single-particle modes. We show that product states over matrix product operators of small bond dimension is the corresponding efficient description of the spectrum of an MBL insulator. In this language all of the many-body eigenstates are encoded by matrix product states (i.e., density matrix renormalization group wave functions) consisting of only two sets of low bond dimension matrices per site: the Gi matrices corresponding to the local ground state on site i and the Ei matrices corresponding to the local excited state. All 2n eigenstates can be generated from all possible combinations of these sets of matrices.

Observation and Control of Hamiltonian Chaos in Wave-particle Interaction

NASA Astrophysics Data System (ADS)

Doveil, F.; Elskens, Y.; Ruzzon, A.

2010-11-01

Wave-particle interactions are central in plasma physics. The paradigm beam-plasma system can be advantageously replaced by a traveling wave tube (TWT) to allow their study in a much less noisy environment. This led to detailed analysis of the self-consistent interaction between unstable waves and an either cold or warm electron beam. More recently a test cold beam has been used to observe its interaction with externally excited wave(s). This allowed observing the main features of Hamiltonian chaos and testing a new method to efficiently channel chaotic transport in phase space. To simulate accurately and efficiently the particle dynamics in the TWT and other 1D particle-wave systems, a new symplectic, symmetric, second order numerical algorithm is developed, using particle position as the independent variable, with a fixed spatial step. This contribution reviews : presentation of the TWT and its connection to plasma physics, resonant interaction of a charged particle in electrostatic waves, observation of particle trapping and transition to chaos, test of control of chaos, and description of the simulation algorithm. The velocity distribution function of the electron beam is recorded with a trochoidal energy analyzer at the output of the TWT. An arbitrary waveform generator is used to launch a prescribed spectrum of waves along the 4m long helix of the TWT. The nonlinear synchronization of particles by a single wave, responsible for Landau damping, is observed. We explore the resonant velocity domain associated with a single wave as well as the transition to large scale chaos when the resonant domains of two waves and their secondary resonances overlap. This transition exhibits a devil's staircase behavior when increasing the excitation level in agreement with numerical simulation. A new strategy for control of chaos by building barriers of transport in phase space as well as its robustness is successfully tested. The underlying concepts extend far beyond the field of electron devices and plasma physics.

Combined Henyey-Greenstein and Rayleigh phase function.

PubMed

Liu, Quanhua; Weng, Fuzhong

2006-10-01

The phase function is an important parameter that affects the distribution of scattered radiation. In Rayleigh scattering, a scatterer is approximated by a dipole, and its phase function is analytically related to the scattering angle. For the Henyey-Greenstein (HG) approximation, the phase function preserves only the correct asymmetry factor (i.e., the first moment), which is essentially important for anisotropic scattering. When the HG function is applied to small particles, it produces a significant error in radiance. In addition, the HG function is applied only for an intensity radiative transfer. We develop a combined HG and Rayleigh (HG-Rayleigh) phase function. The HG phase function plays the role of modulator extending the application of the Rayleigh phase function for small asymmetry scattering. The HG-Rayleigh phase function guarantees the correct asymmetry factor and is valid for a polarization radiative transfer. It approaches the Rayleigh phase function for small particles. Thus the HG-Rayleigh phase function has wider applications for both intensity and polarimetric radiative transfers. For microwave radiative transfer modeling in this study, the largest errors in the brightness temperature calculations for weak asymmetry scattering are generally below 0.02 K by using the HG-Rayleigh phase function. The errors can be much larger, in the 1-3 K range, if the Rayleigh and HG functions are applied separately.

Communication: The origin of many-particle signals in nonlinear optical spectroscopy of non-interacting particles

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

Mukamel, Shaul

Nonlinear spectroscopy signals detected by fluorescence from dilute samples of N non-interacting molecules are usually adequately described by simply multiplying the single molecule response by N. We show that signals that scale with higher powers of N are generated by the joint detection of several particles. This can be accomplished by phase sensitive detection such as phase cycling, photo-acoustic modulation, or by Hanbury-Brown Twiss photon coincidence. Such measurements can dissect the ensemble according to the number of excited particles.

Solution on the Bethe lattice of a hard core athermal gas with two kinds of particles.

PubMed

Oliveira, Tiago J; Stilck, Jürgen F

2011-11-14

Athermal lattice gases of particles with first neighbor exclusion have been studied for a long time as simple models exhibiting a fluid-solid transition. At low concentration the particles occupy randomly both sublattices, but as the concentration is increased one of the sublattices is occupied preferentially. Here, we study a mixed lattice gas with excluded volume interactions only in the grand-canonical formalism with two kinds of particles: small ones, which occupy a single lattice site and large ones, which, when placed on a site, do not allow other particles to occupy its first neighbors also. We solve the model on a Bethe lattice of arbitrary coordination number q. In the parameter space defined by the activities of both particles, at low values of the activity of small particles (z(1)) we find a continuous transition from the fluid to the solid phase as the activity of large particles (z(2)) is increased. At higher values of z(1) the transition becomes discontinuous, both regimes are separated by a tricritical point. The critical line has a negative slope at z(1) = 0 and displays a minimum before reaching the tricritical point, so that a re-entrant behavior is observed for constant values of z(2) in the region of low density of small particles. The isobaric curves of the total density of particles as a function of the density or the activity of small particles show a minimum in the fluid phase. © 2011 American Institute of Physics

Partitioning of Nanoparticles into Organic Phases and Model Cells

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

Posner, J.D.; Westerhoff, P.; Hou, W-C.

2011-08-25

There is a recognized need to understand and predict the fate, transport and bioavailability of engineered nanoparticles (ENPs) in aquatic and soil ecosystems. Recent research focuses on either collection of empirical data (e.g., removal of a specific NP through water or soil matrices under variable experimental conditions) or precise NP characterization (e.g. size, degree of aggregation, morphology, zeta potential, purity, surface chemistry, and stability). However, it is almost impossible to transition from these precise measurements to models suitable to assess the NP behavior in the environment with complex and heterogeneous matrices. For decades, the USEPA has developed and applies basicmore » partitioning parameters (e.g., octanol-water partition coefficients) and models (e.g., EPI Suite, ECOSAR) to predict the environmental fate, bioavailability, and toxicity of organic pollutants (e.g., pesticides, hydrocarbons, etc.). In this project we have investigated the hypothesis that NP partition coefficients between water and organic phases (octanol or lipid bilayer) is highly dependent on their physiochemical properties, aggregation, and presence of natural constituents in aquatic environments (salts, natural organic matter), which may impact their partitioning into biological matrices (bioaccumulation) and human exposure (bioavailability) as well as the eventual usage in modeling the fate and bioavailability of ENPs. In this report, we use the terminology "partitioning" to operationally define the fraction of ENPs distributed among different phases. The mechanisms leading to this partitioning probably involve both chemical force interactions (hydrophobic association, hydrogen bonding, ligand exchange, etc.) and physical forces that bring the ENPs in close contact with the phase interfaces (diffusion, electrostatic interactions, mixing turbulence, etc.). Our work focuses on partitioning, but also provides insight into the relative behavior of ENPs as either "more like dissolved substances" or "more like colloids" as the division between behaviors of macromolecules versus colloids remains ill-defined. Below we detail our work on two broadly defined objectives: (i) Partitioning of ENP into octanol, lipid bilayer, and water, and (ii) disruption of lipid bilayers by ENPs. We have found that the partitioning of NP reaches pseudo-equilibrium distributions between water and organic phases. The equilibrium partitioning most strongly depends on the particle surface charge, which leads us to the conclusion that electrostatic interactions are critical to understanding the fate of NP in the environment. We also show that the kinetic rate at which particle partition is a function of their size (small particles partition faster by number) as can be predicted from simple DLVO models. We have found that particle number density is the most effective dosimetry to present our results and provide quantitative comparison across experiments and experimental platforms. Cumulatively, our work shows that lipid bilayers are a more effective organic phase than octanol because of the definable surface area and ease of interpretation of the results. Our early comparison of NP partitioning between water and lipids suggest that this measurement can be predictive of bioaccumulation in aquatic organisms. We have shown that nanoparticle disrupt lipid bilayer membranes and detail how NP-bilayer interaction leads to the malfunction of lipid bilayers in regulating the fluxes of ionic charges and molecules. Our results show that the disruption of the lipid membranes is similar to that of toxin melittin, except single particles can disrupt a bilayer. We show that only a single particle is required to disrupt a 150 nm DOPC liposome. The equilibrium leakage of membranes is a function of the particle number density and particle surface charge, consistent with results from our partitioning experiments. Our disruption experiments with varying surface functionality show that positively charged particles (poly amine) are most disruptive, consistent with in in vitro toxicity panels using cell cultures. Overall, this project has resulted in 8 published or submitted archival papers and has been presented 12 times. We have trained five students and provided growth opportunities for a postdoc.« less

Flagellar dynamics of a connected chain of active, polar, Brownian particles

PubMed Central

Chelakkot, Raghunath; Gopinath, Arvind; Mahadevan, L.; Hagan, Michael F.

2014-01-01

We show that active, self-propelled particles that are connected together to form a single chain that is anchored at one end can produce the graceful beating motions of flagella. Changing the boundary condition from a clamp to a pivot at the anchor leads to steadily rotating tight coils. Strong noise in the system disrupts the regularity of the oscillations. We use a combination of detailed numerical simulations, mean-field scaling analysis and first passage time theory to characterize the phase diagram as a function of the filament length, passive elasticity, propulsion force and noise. Our study suggests minimal experimental tests for the onset of oscillations in an active polar chain. PMID:24352670

Flagellar dynamics of a connected chain of active, polar, Brownian particles.

PubMed

Chelakkot, Raghunath; Gopinath, Arvind; Mahadevan, L; Hagan, Michael F

2014-03-06

We show that active, self-propelled particles that are connected together to form a single chain that is anchored at one end can produce the graceful beating motions of flagella. Changing the boundary condition from a clamp to a pivot at the anchor leads to steadily rotating tight coils. Strong noise in the system disrupts the regularity of the oscillations. We use a combination of detailed numerical simulations, mean-field scaling analysis and first passage time theory to characterize the phase diagram as a function of the filament length, passive elasticity, propulsion force and noise. Our study suggests minimal experimental tests for the onset of oscillations in an active polar chain.

Liquid-liquid transition in the ST2 model of water

NASA Astrophysics Data System (ADS)

Debenedetti, Pablo

2013-03-01

We present clear evidence of the existence of a metastable liquid-liquid phase transition in the ST2 model of water. Using four different techniques (the weighted histogram analysis method with single-particle moves, well-tempered metadynamics with single-particle moves, weighted histograms with parallel tempering and collective particle moves, and conventional molecular dynamics), we calculate the free energy surface over a range of thermodynamic conditions, we perform a finite size scaling analysis for the free energy barrier between the coexisting liquid phases, we demonstrate the attainment of diffusive behavior, and we perform stringent thermodynamic consistency checks. The results provide conclusive evidence of a first-order liquid-liquid transition. We also show that structural equilibration in the sluggish low-density phase is attained over the time scale of our simulations, and that crystallization times are significantly longer than structural equilibration, even under deeply supercooled conditions. We place our results in the context of the theory of metastability.

Functionalized patchy particles using colloidal lenses

NASA Astrophysics Data System (ADS)

Middleton, Christine

2014-03-01

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

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.

Symmetry for the duration of entropy-consuming intervals.

PubMed

García-García, Reinaldo; Domínguez, Daniel

2014-05-01

We introduce the violation fraction υ as the cumulative fraction of time that a mesoscopic system spends consuming entropy at a single trajectory in phase space. We show that the fluctuations of this quantity are described in terms of a symmetry relation reminiscent of fluctuation theorems, which involve a function Φ, which can be interpreted as an entropy associated with the fluctuations of the violation fraction. The function Φ, when evaluated for arbitrary stochastic realizations of the violation fraction, is odd upon the symmetry transformations that are relevant for the associated stochastic entropy production. This fact leads to a detailed fluctuation theorem for the probability density function of Φ. We study the steady-state limit of this symmetry in the paradigmatic case of a colloidal particle dragged by optical tweezers through an aqueous solution. Finally, we briefly discuss possible applications of our results for the estimation of free-energy differences from single-molecule experiments.

Probing the Evaporation Dynamics of Mixed SOA/Squalane Particles Using Size-Resolved Composition and Single-Particle Measurements.

PubMed

Robinson, Ellis Shipley; Saleh, Rawad; Donahue, Neil M

2015-08-18

An analysis of the formation and evaporation of mixed-particles containing squalane (a surrogate for hydrophobic primary organic aerosol, POA) and secondary organic aerosol (SOA) is presented. In these experiments, one material (D62-squalane or SOA from α-pinene + O3) was prepared first to serve as surface area for condensation of the other, forming the mixed-particles. The mixed-particles were then subjected to a heating-ramp from 22 to 44 °C. We were able to determine that (1) almost all of the SOA mass is comprised of material less volatile than D62-squalane; (2) AMS collection efficiency in these mixed-particle systems can be parametrized as a function of the relative mass fraction of the components; and (3) the vast majority of D62-squalane is able to evaporate from the mixed particles, and does so on the same time scale regardless of the order of preparation. We also performed two-population mixing experiments to directly test whether D62-squalane and SOA from α-pinene + O3 form a single solution or two separate phases. We find that these two OA types are immiscible, which informs our inference of the morphology of the mixed-particles. If the morphology is core-shell and dictated by the order of preparation, these data indicate that squalane is able to diffuse relatively quickly through the SOA shell, implying that there are no major diffusion limitations.

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.

Optical extinction efficiency measurements on fine and accumulation mode aerosol using single particle cavity ring-down spectroscopy.

PubMed

Cotterell, Michael I; Mason, Bernard J; Preston, Thomas C; Orr-Ewing, Andrew J; Reid, Jonathan P

2015-06-28

A new experiment is presented for the measurement of single aerosol particle extinction efficiencies, Qext, combining cavity ring-down spectroscopy (CRDS, λ = 405 nm) with a Bessel beam trap (λ = 532 nm) in tandem with phase function (PF) measurements. This approach allows direct measurements of the changing optical cross sections of individual aerosol particles over indefinite time-frames facilitating some of the most comprehensive measurements of the optical properties of aerosol particles so far made. Using volatile 1,2,6-hexanetriol droplets, Qext is measured over a continuous radius range with the measured Qext envelope well described by fitted cavity standing wave (CSW) Mie simulations. These fits allow the refractive index at 405 nm to be determined. Measurements are also presented of Qext variation with RH for two hygroscopic aqueous inorganic systems ((NH4)2SO4 and NaNO3). For the PF and the CSW Mie simulations, the refractive index, nλ, is parameterised in terms of the particle radius. The radius and refractive index at 532 nm are determined from PFs, while the refractive index at 405 nm is determined by comparison of the measured Qext to CSW Mie simulations. The refractive indices determined at the shorter wavelength are larger than at the longer wavelength consistent with the expected dispersion behaviour. The measured values at 405 nm are compared to estimates from volume mixing and molar refraction mixing rules, with the latter giving superior agreement. In addition, the first single-particle Qext measurements for accumulation mode aerosol are presented for droplets with radii as small as ∼300 nm.

Visible/near-infrared spectra and two-layer modeling of palagonite-coated Basalts

USGS Publications Warehouse

Johnson, J. R.; Grundy, W.M.

2001-01-01

Fine-grained dust coatings on Martian rocks and soils obscure underlying surfaces and hinder mineralogic interpretations of both remote sensing and in-situ observations. We investigate laboratory visible/near-infrared spectra of various thicknesses of palagonite coatings on basalt substrates. We develop a two-layer Hapke scattering model incorporating porosity, grain size, and derived absorption coefficients of palagonite and basalt that reproduces the observed spectra only when the single scattering particle phase function is varied with wavelength.

Inference of Ice Cloud Properties from High-spectral Resolution Infrared Observations. Appendix 4

NASA Technical Reports Server (NTRS)

Huang, Hung-Lung; Yang, Ping; Wei, Heli; Baum, Bryan A.; Hu, Yongxiang; Antonelli, Paolo; Ackerman, Steven A.

2005-01-01

The theoretical basis is explored for inferring the microphysical properties of ice crystal from high-spectral resolution infrared observations. A radiative transfer model is employed to simulate spectral radiances to address relevant issues. The extinction and absorption efficiencies of individual ice crystals, assumed as hexagonal columns for large particles and droxtals for small particles, are computed from a combination of the finite- difference time-domain (FDTD) technique and a composite method. The corresponding phase functions are computed from a combination of FDTD and an improved geometric optics method (IGOM). Bulk scattering properties are derived by averaging the single- scattering properties of individual particles for 30 particle size distributions developed from in situ measurements and for additional four analytical Gamma size distributions for small particles. The non-sphericity of ice crystals is shown to have a significant impact on the radiative signatures in the infrared (IR) spectrum; the spherical particle approximation for inferring ice cloud properties may result in an overest&ation of the optical thickness and an inaccurate retrieval of effective particle size. Furthermore, we show that the error associated with the use of the Henyey-Greenstein phase function can be as larger as 1 K in terms of brightness temperature for larger particle effective size at some strong scattering wavenumbers. For small particles, the difference between the two phase functions is much less, with brightness temperatures generally differing by less than 0.4 K. The simulations undertaken in this study show that the slope of the IR brightness temperature spectrum between 790-960/cm is sensitive to the effective particle size. Furthermore, a strong sensitivity of IR brightness temperature to cloud optical thickness is noted within the l050-1250/cm region. Based on this spectral feature, a technique is presented for the simultaneous retrieval of the visible optical thickness and effective particle size from high spectral resolution infrared data under ice cloudy con&tion. The error analysis shows that the uncertainty of the retrieved optical thickness and effective particle size has a small range of variation. The error for retrieving particle size in conjunction with an uncertainty of 5 K in cloud'temperature, or a surface temperature uncertainty of 2.5 K, is less than 15%. The corresponding e m r in the uncertainty of optical thickness is within 5-2096, depending on the value of cloud optical thickness. The applicability of the technique is demonstrated using the aircraft-based High- resolution Interferometer Sounder (HIS) data from the Subsonic Aircraft: Contrail and Cloud Effects Special Study (SUCCESS) in 1996 and the First ISCCP Regional Experiment - Arctic Clouds Experiment (FIRE-ACE) in 1998.

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.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

NASA Astrophysics Data System (ADS)

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; Tsvelik, A. M.

2017-12-01

We present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, the Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.

Hybrid simulations of Alfvén modes driven by energetic particles

NASA Astrophysics Data System (ADS)

Zhu, J.; Ma, Z. W.; Wang, S.

2016-12-01

A hybrid kinetic-magnetohydrodynamic code (CLT-K) is developed to study nonlinear dynamics of Alfvén modes driven by energetic particles (EP). A n = 2 toroidicity-induced discrete shear Alfvén eigenmode (TAE)-type energetic particle mode (EPM) with two dominant poloidal harmonics (m = 2 and 3) is first excited and its frequency remains unchanged in the early phase. Later, a new branch of the n = 2 frequency with a single dominant poloidal mode (m = 3) splits from the original TAE-type EPM. The new single m EPM (m = 3) slowly moves radially outward with the downward chirping of the frequency and the mode amplitude remains at a higher level. The original EPM remains at its original position without the frequency chirping, but its amplitude decays with time. Finally, the m = 3 EPM becomes dominant and the frequency falls into the β-induced gap of the Alfvén continuum. The redistribution of the δf in the phase space is consistent with the mode frequency downward chirping and the drifting direction of the resonance region is mainly due to the biased free energy profile. The transition from a TAE-type EPM to a single m EPM is mainly caused by extension of the p = 0 trapped particle resonance in the phase space.

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.

Assessing the measurement of aerosol single scattering albedo by Cavity Attenuated Phase-Shift Single Scattering Monitor (CAPS PMssa)

NASA Astrophysics Data System (ADS)

Perim de Faria, Julia; Bundke, Ulrich; Onasch, Timothy B.; Freedman, Andrew; Petzold, Andreas

2016-04-01

The necessity to quantify the direct impact of aerosol particles on climate forcing is already well known; assessing this impact requires continuous and systematic measurements of the aerosol optical properties. Two of the main parameters that need to be accurately measured are the aerosol optical depth and single scattering albedo (SSA, defined as the ratio of particulate scattering to extinction). The measurement of single scattering albedo commonly involves the measurement of two optical parameters, the scattering and the absorption coefficients. Although there are well established technologies to measure both of these parameters, the use of two separate instruments with different principles and uncertainties represents potential sources of significant errors and biases. Based on the recently developed cavity attenuated phase shift particle extinction monitor (CAPS PM_{ex) instrument, the CAPS PM_{ssa instrument combines the CAPS technology to measure particle extinction with an integrating sphere capable of simultaneously measuring the scattering coefficient of the same sample. The scattering channel is calibrated to the extinction channel, such that the accuracy of the single scattering albedo measurement is only a function of the accuracy of the extinction measurement and the nephelometer truncation losses. This gives the instrument an accurate and direct measurement of the single scattering albedo. In this study, we assess the measurements of both the extinction and scattering channels of the CAPS PM_{ssa through intercomparisons with Mie theory, as a fundamental comparison, and with proven technologies, such as integrating nephelometers and filter-based absorption monitors. For comparison, we use two nephelometers, a TSI 3563 and an Aurora 4000, and two measurements of the absorption coefficient, using a Particulate Soot Absorption Photometer (PSAP) and a Multi Angle Absorption Photometer (MAAP). We also assess the indirect absorption coefficient measurement from the CAPS PM_{ssa (calculated as the difference from the measured extinction and scattering). The study was carried out in the laboratory with controlled particle generation systems. We used both light absorbing aerosols (Regal 400R pigment black from Cabot Corp. and colloidal graphite - Aquadag - from Agar Scientific) and purely scattering aerosols (ammonium sulphate and polystyrene latex spheres), covering single scattering albedo values from approximately 0.4 to 1.0. A new truncation angle correction for the CAPS PM_{ssa integrated sphere is proposed.

A single-source photon source model of a linear accelerator for Monte Carlo dose calculation

PubMed Central

Glatting, Gerhard; Wenz, Frederik; Fleckenstein, Jens

2017-01-01

Purpose To introduce a new method of deriving a virtual source model (VSM) of a linear accelerator photon beam from a phase space file (PSF) for Monte Carlo (MC) dose calculation. Materials and methods A PSF of a 6 MV photon beam was generated by simulating the interactions of primary electrons with the relevant geometries of a Synergy linear accelerator (Elekta AB, Stockholm, Sweden) and recording the particles that reach a plane 16 cm downstream the electron source. Probability distribution functions (PDFs) for particle positions and energies were derived from the analysis of the PSF. These PDFs were implemented in the VSM using inverse transform sampling. To model particle directions, the phase space plane was divided into a regular square grid. Each element of the grid corresponds to an area of 1 mm2 in the phase space plane. The average direction cosines, Pearson correlation coefficient (PCC) between photon energies and their direction cosines, as well as the PCC between the direction cosines were calculated for each grid element. Weighted polynomial surfaces were then fitted to these 2D data. The weights are used to correct for heteroscedasticity across the phase space bins. The directions of the particles created by the VSM were calculated from these fitted functions. The VSM was validated against the PSF by comparing the doses calculated by the two methods for different square field sizes. The comparisons were performed with profile and gamma analyses. Results The doses calculated with the PSF and VSM agree to within 3% /1 mm (>95% pixel pass rate) for the evaluated fields. Conclusion A new method of deriving a virtual photon source model of a linear accelerator from a PSF file for MC dose calculation was developed. Validation results show that the doses calculated with the VSM and the PSF agree to within 3% /1 mm. PMID:28886048

A single-source photon source model of a linear accelerator for Monte Carlo dose calculation.

PubMed

Nwankwo, Obioma; Glatting, Gerhard; Wenz, Frederik; Fleckenstein, Jens

2017-01-01

To introduce a new method of deriving a virtual source model (VSM) of a linear accelerator photon beam from a phase space file (PSF) for Monte Carlo (MC) dose calculation. A PSF of a 6 MV photon beam was generated by simulating the interactions of primary electrons with the relevant geometries of a Synergy linear accelerator (Elekta AB, Stockholm, Sweden) and recording the particles that reach a plane 16 cm downstream the electron source. Probability distribution functions (PDFs) for particle positions and energies were derived from the analysis of the PSF. These PDFs were implemented in the VSM using inverse transform sampling. To model particle directions, the phase space plane was divided into a regular square grid. Each element of the grid corresponds to an area of 1 mm2 in the phase space plane. The average direction cosines, Pearson correlation coefficient (PCC) between photon energies and their direction cosines, as well as the PCC between the direction cosines were calculated for each grid element. Weighted polynomial surfaces were then fitted to these 2D data. The weights are used to correct for heteroscedasticity across the phase space bins. The directions of the particles created by the VSM were calculated from these fitted functions. The VSM was validated against the PSF by comparing the doses calculated by the two methods for different square field sizes. The comparisons were performed with profile and gamma analyses. The doses calculated with the PSF and VSM agree to within 3% /1 mm (>95% pixel pass rate) for the evaluated fields. A new method of deriving a virtual photon source model of a linear accelerator from a PSF file for MC dose calculation was developed. Validation results show that the doses calculated with the VSM and the PSF agree to within 3% /1 mm.

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

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

Zhang, Du; Yang, Weitao

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

DOE PAGES

Zhang, Du; Yang, Weitao

2016-10-13

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and doublemore » excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.« less

Recent developments in the kinetic theory of nucleation.

PubMed

Ruckenstein, E; Djikaev, Y S

2005-12-30

A review of recent progress in the kinetics of nucleation is presented. In the conventional approach to the kinetic theory of nucleation, it is necessary to know the free energy of formation of a new-phase particle as a function of its independent variables at least for near-critical particles. Thus the conventional kinetic theory of nucleation is based on the thermodynamics of the process. The thermodynamics of nucleation can be examined by using various approaches, such as the capillarity approximation, density functional theory, and molecular simulation, each of which has its own advantages and drawbacks. Relatively recently a new approach to the kinetics of nucleation was proposed [Ruckenstein E, Nowakowski B. J Colloid Interface Sci 1990;137:583; Nowakowski B, Ruckenstein E. J Chem Phys 1991;94:8487], which is based on molecular interactions and does not employ the traditional thermodynamics, thus avoiding such a controversial notion as the surface tension of tiny clusters involved in nucleation. In the new kinetic theory the rate of emission of molecules by a new-phase particle is determined with the help of a mean first passage time analysis. This time is calculated by solving the single-molecule master equation for the probability distribution function of a surface layer molecule moving in a potential field created by the rest of the cluster. The new theory was developed for both liquid-to-solid and vapor-to-liquid phase transitions. In the former case the single-molecule master equation is the Fokker-Planck equation in the phase space which can be reduced to the Smoluchowski equation owing to the hierarchy of characteristic time scales. In the latter case, the starting master equation is a Fokker-Planck equation for the probability distribution function of a surface layer molecule with respect to both its energy and phase coordinates. Unlike the case of liquid-to-solid nucleation, this Fokker-Planck equation cannot be reduced to the Smoluchowski equation, but the hierarchy of time scales does allow one to reduce it to the Fokker-Plank equation in the energy space. The new theory provides an equation for the critical radius of a new-phase particle which in the limit of large clusters (low supersaturations) yields the Kelvin equation and hence an expression for the macroscopic surface tension. The theory was illustrated with numerical calculations for a molecular pair interaction potential combining the dispersive attraction with the hard-sphere repulsion. The results for the liquid-to-solid nucleation clearly show that at given supersaturation the nucleation rate depends on the cluster structure (for three cluster structures considered-amorphous, fcc, and icosahedral). For both the liquid-to-solid and vapor-to-liquid nucleation, the predictions of the theory are consistent with the results of classical nucleation theory (CNT) in the limit of large critical clusters (low supersaturations). For small critical clusters the new theory provides higher nucleation rates than CNT. This can be accounted for by the fact that CNT uses the macroscopic interfacial tension which presumably overpredicts the surface tension of small clusters, and hence underpredicts nucleation rates.

The impact of port emissions and marine biogenics on the single-particle chemistry of marine aerosol measured on board the R/V Atlantis during the CalNEX 2010 field campaign

NASA Astrophysics Data System (ADS)

Gaston, C. J.; Quinn, P.; Bates, T. S.; Prather, K. A.

2010-12-01

Marine environments are characterized by low particle concentrations and, as such, are sensitive to changes in particle number concentration and chemistry induced by biogenic and anthropogenic influences. Measurements of both gas phase and particle phase emissions on board the R/V Atlantis during the CalNEX 2010 field campaign provided an opportunity to examine the impact of anthropogenic and marine biogenic emissions on particle chemistry along the California coast. Real-time, single-particle measurements made using an aerosol time-of-flight mass spectrometer (ATOFMS) revealed the single-particle mixing state of the sampled marine aerosols. Submicron particles (0.2-1.0 um) containing organic carbon, elemental carbon mixed with organic carbon, and unique V-containing particles previously detected in port regions were prevalent throughout the Southern California coast; most of these particles were also associated with sulfate. Measurements made in the deep water channel near Sacramento, CA revealed dramatically different particle chemistry that was characterized by organic carbon and amines. Particles measured further away from the continent toward the open ocean were influenced by marine biological activity due to a phytoplankton bloom that was occurring off the California coast. During this sampling period, unique ocean-derived particles containing internal mixtures of Mg and organic carbon were detected in addition to unique particles containing elemental S ions, which were only detected at night. An aerosol generator used to bubble seawater in order to characterize primary emissions from the ocean confirmed that the Mg-organic carbon and S-containing particles were indeed emitted from the ocean. These measurements reveal the strong impact of both port emissions as well as marine biogenic emissions on aerosol chemistry along the California coast.

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.

Phase retrieval and 3D imaging in gold nanoparticles based fluorescence microscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Ilovitsh, Tali; Ilovitsh, Asaf; Weiss, Aryeh M.; Meir, Rinat; Zalevsky, Zeev

2017-02-01

Optical sectioning microscopy can provide highly detailed three dimensional (3D) images of biological samples. However, it requires acquisition of many images per volume, and is therefore time consuming, and may not be suitable for live cell 3D imaging. We propose the use of the modified Gerchberg-Saxton phase retrieval algorithm to enable full 3D imaging of gold nanoparticles tagged sample using only two images. The reconstructed field is free space propagated to all other focus planes using post processing, and the 2D z-stack is merged to create a 3D image of the sample with high fidelity. Because we propose to apply the phase retrieving on nano particles, the regular ambiguities typical to the Gerchberg-Saxton algorithm, are eliminated. The proposed concept is then further enhanced also for tracking of single fluorescent particles within a three dimensional (3D) cellular environment based on image processing algorithms that can significantly increases localization accuracy of the 3D point spread function in respect to regular Gaussian fitting. All proposed concepts are validated both on simulated data as well as experimentally.

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.

Solar system applications of Mie theory and of radiative transfer of polarized light

NASA Technical Reports Server (NTRS)

Whitehill, L. P.

1972-01-01

A theory of the multiple scattering of polarized light is discussed using the doubling method of van de Hulst. The concept of the Stokes parameters is derived and used to develop the form of the scattering phase matrix of a single particle. The diffuse reflection and transmission matrices of a single scattering plane parallel atmosphere are expressed as a function of the phase matrix, and the symmetry properties of these matrices are examined. Four matrices are required to describe scattering and transmission. The scattering matrix that results from the addition of two identical layers is derived. Using the doubling method, the scattering and transmission matrices of layers of arbitrary optical thickness can be derived. The doubling equations are then rewritten in terms of their Fourier components. Computation time is reduced since each Fourier component doubles independently. Computation time is also reduced through the use of symmetry properties.

Size distribution and scattering phase function of aerosol particles retrieved from sky brightness measurements

NASA Technical Reports Server (NTRS)

Kaufman, Y. J.; Gitelson, A.; Karnieli, A.; Ganor, E. (Editor); Fraser, R. S.; Nakajima, T.; Mattoo, S.; Holben, B. N.

1994-01-01

Ground-based measurements of the solar transmission and sky radiance in a horizontal plane through the Sun are taken in several geographical regions and aerosol types: dust in a desert transition zone in Israel, sulfate particles in Eastern and Western Europe, tropical aerosol in Brazil, and mixed continental/maritime aerosol in California. Stratospheric aerosol was introduced after the eruption of Mount Pinatubo in June 1991. Therefore measurements taken before the eruption are used to analyze the properties of tropospheric aerosol; measurements from 1992 are also used to detect the particle size and concentration of stratospheric aerosol. The measurements are used to retrieve the size distribution and the scattering phase function at large scattering angles of the undisturbed aerosol particles. The retrieved properties represent an average on the entire atmospheric column. A comparison between the retrieved phase function for a scattering angle of 120 deg, with phase function predicted from the retrieved size distribution, is used to test the assumption of particle homogeneity and sphericity in radiative transfer models (Mie theory). The effect was found to be small (20% +/- 15%). For the stratospheric aerosol (sulfates), as expected, the phase function was very well predicted using the Mie theory. A model with a power law distribution, based on the spectral dependence of the optical thickness, alpha, cannot estimate accurately the phase function (up to 50% error for lambda = 0.87 microns). Before the Pinatubo eruption the ratio between the volumes of sulfate and coarse particles was very well correlated with alpha. The Pinatubo stratospheric aerosol destroyed this correlation. The aerosol optical properties are compared with analysis of the size, shape, and composition of the individual particles by electron microscopy of in situ samples. The measured volume size distribution before the injection of stratospheric aerosol consistently show two modes, sulfate particles with r(sub m) less than 0.2 microns and coarse paritcles with r(sub m) greater than 0.7 microns. The 'window' in the tropospheric aerosol in this radius range was used to observe a stable stratospheric aerosol in 1992, with r(sub m) approximately 0.5 microns. A combination of such optical thickness and sky measurements can be used to assess the direct forcing and the climatic impact of aerosol. Systematic inversion for the key aerosol types (sulfates, smoke, dust, and maritime aerosol) of the size distribution and phase function can give the relationship between the aerosol physical and optical properties that can be used to compute the radiative forcing. This forcing can be validated in dedicated field experiments.

Magnetization switching in nanoscale ferromagnetic grains: MFM observables from Monte Carlo simulations

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

Richards, H.L.; Sides, S.W.; Novotny, M.A.

1996-12-31

Recently experimental techniques, such as magnetic force microscopy (MFM), have enabled the magnetic state of individual sub-micron particles to be resolved. Motivated by these experimental developments, the authors use Monte Carlo simulations of two-dimensional kinetic Ising ferromagnets to study the magnetic relaxation in a negative applied field of a grain with an initial magnetization m{sub 0} = + 1. They use classical droplet theory to predict the functional forms for some quantities which can be observed by MFM. An example is the probability that the magnetization is positive, which is a function of time, field, grain size, and grain dimensionality.more » The qualitative agreement between experiments and their simulations of switching in individual single-domain ferromagnets indicates that the switching mechanism in such particles may involve local nucleation and subsequent growth of droplets of the stable phase.« less

Photometric studies of Saturn's ring and eclipses of the Galilean satellites

NASA Technical Reports Server (NTRS)

Brunk, W. E.

1972-01-01

Reliable data defining the photometric function of the Saturn ring system at visual wavelengths are interpreted in terms of a simple scattering model. To facilitate the analysis, new photographic photometry of the ring has been carried out and homogeneous measurements of the mean surface brightness are presented. The ring model adopted is a plane parallel slab of isotropically scattering particles; the single scattering albedo and the perpendicular optical thickness are both arbitrary. Results indicate that primary scattering is inadequate to describe the photometric properties of the ring: multiple scattering predominates for all angles of tilt with respect to the Sun and earth. In addition, the scattering phase function of the individual particles is significantly anisotropic: they scatter preferentially towards the sun. Photoelectric photometry of Ganymede during its eclipse by Jupiter indicate that neither a simple reflecting-layer model nor a semi-infinite homogeneous scattering model provides an adequate physical description of the Jupiter atmosphere.

Structure of naturally hydrated ferrihydrite revealed through neutron diffraction and first-principles modeling

NASA Astrophysics Data System (ADS)

Chappell, Helen F.; Thom, William; Bowron, Daniel T.; Faria, Nuno; Hasnip, Philip J.; Powell, Jonathan J.

2017-08-01

Ferrihydrite, with a ``two-line'' x-ray diffraction pattern (2L-Fh), is the most amorphous of the iron oxides and is ubiquitous in both terrestrial and aquatic environments. It also plays a central role in the regulation and metabolism of iron in bacteria, algae, higher plants, and animals, including humans. In this study, we present a single-phase model for ferrihydrite that unifies existing analytical data while adhering to fundamental chemical principles. The primary particle is small (20-50 Å) and has a dynamic and variably hydrated surface, which negates long-range order; collectively, these features have hampered complete characterization and frustrated our understanding of the mineral's reactivity and chemical/biochemical function. Near and intermediate range neutron diffraction (NIMROD) and first-principles density functional theory (DFT) were employed in this study to generate and interpret high-resolution data of naturally hydrated, synthetic 2L-Fh at standard temperature. The structural optimization overcomes transgressions of coordination chemistry inherent within previously proposed structures, to produce a robust and unambiguous single-phase model.

The application of single particle aerosol mass spectrometry for the detection and identification of high explosives and chemical warfare agents

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

Martin, Audrey Noreen

2006-01-01

Single Particle Aerosol Mass Spectrometry (SPAMS) was evaluated as a real-time detection technique for single particles of high explosives. Dual-polarity time-of-flight mass spectra were obtained for samples of 2,4,6-trinitrotoluene (TNT), 1,3,5-trinitro-1,3,5-triazinane (RDX), and pentaerythritol tetranitrate (PETN); peaks indicative of each compound were identified. Composite explosives, Comp B, Semtex 1A, and Semtex 1H were also analyzed, and peaks due to the explosive components of each sample were present in each spectrum. Mass spectral variability with laser fluence is discussed. The ability of the SPAMS system to identify explosive components in a single complex explosive particle (~1 pg) without the need formore » consumables is demonstrated. SPAMS was also applied to the detection of Chemical Warfare Agent (CWA) simulants in the liquid and vapor phases. Liquid simulants for sarin, cyclosarin, tabun, and VX were analyzed; peaks indicative of each simulant were identified. Vapor phase CWA simulants were adsorbed onto alumina, silica, Zeolite, activated carbon, and metal powders which were directly analyzed using SPAMS. The use of metal powders as adsorbent materials was especially useful in the analysis of triethyl phosphate (TEP), a VX stimulant, which was undetectable using SPAMS in the liquid phase. The capability of SPAMS to detect high explosives and CWA simulants using one set of operational conditions is established.« less

Surface Textural Properties of Icy Satellites: A Comparison between Europa and Rhea

NASA Technical Reports Server (NTRS)

Domingue, D. L.; Lockwood, G. W.; Thompson, D. T.

1995-01-01

Solar phase curves for Rhea are presented using new telescopic opposition data along with Voyager imaging observations. Two viable solutions were found to Hapke's model which was used to describe this phase curve. The porosity derived from the model's opposition parameters show that the optically active portion of Rhea's regolith has a porosity between 80 and 95 percent, which is slightly lower than the porosity seen on Europa and higher than the porosity measured for the Moon using similar methods. The macroscopic roughness is comparable to that measured by Vebiscer and Veverka for Rhea. The single particle scattering functions found in this study are predominantly forward scattering, which contradicts the results of Vebiscer and Veverka.

Modeling of particle radiative properties in coal combustion depending on burnout

NASA Astrophysics Data System (ADS)

Gronarz, Tim; Habermehl, Martin; Kneer, Reinhold

2017-04-01

In the present study, absorption and scattering efficiencies as well as the scattering phase function of a cloud of coal particles are described as function of the particle combustion progress. Mie theory for coated particles is applied as mathematical model. The scattering and absorption properties are determined by several parameters: size distribution, spectral distribution of incident radiation and spectral index of refraction of the particles. A study to determine the influence of each parameter is performed, finding that the largest effect is due to the refractive index, followed by the effect of size distribution. The influence of the incident radiation profile is negligible. As a part of this study, the possibility of applying a constant index of refraction is investigated. Finally, scattering and absorption efficiencies as well as the phase function are presented as a function of burnout with the presented model and the results are discussed.

Contact angle and detachment energy of shape anisotropic particles at fluid-fluid interfaces.

PubMed

Anjali, Thriveni G; Basavaraj, Madivala G

2016-09-15

The three phase contact angle of particles, a measure of its wettability, is an important factor that greatly influences their behaviour at interfaces. It is one of the principal design parameters for potential applications of particles as emulsion/foam stabilizers, functional coatings and other novel materials. In the present work, the effect of size, shape and surface chemistry of particles on their contact angle is investigated using the gel trapping technique, which facilitates the direct visualization of the equilibrium position of particles at interfaces. The contact angle of hematite particles of spherocylindrical, peanut and cuboidal shapes, hematite-silica core-shell and silica shells is reported at a single particle level. The spherocylindrical and peanut shaped particles are always positioned with their major axis parallel to the interface. However, for cuboidal particles at air-water as well as decane-water interfaces, different orientations namely - face-up, edge-up and the vertex-up - are observed. The influence of gravity on the equilibrium position of the colloidal particles at the interface is studied using the hematite-silica core-shell particles and the silica shells. The measured contact angle values are utilized in the calculations of the detachment and surface energies of the hematite particles adsorbed at the interface. Copyright © 2016 Elsevier Inc. All rights reserved.

Adiabatic description of long range frequency sweeping

NASA Astrophysics Data System (ADS)

Breizman, Boris; Nyqvist, Robert; Lilley, Matthew

2012-10-01

A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behavior of phase space holes and clumps is analyzed, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

Uranus' (3-0) H2 quadrupole line profiles

NASA Technical Reports Server (NTRS)

Trafton, L.

1987-01-01

Spectra of Uranus' S3(0) and S3(1) H2 quadrupole lines, obtained during the 1978-1980 apparitions, are analyzed, and are found to require the presence of a deep cloud. Modifications of the Baines and Bergstralh (1986) standard model, including an additional haze layer above the 16-km-am H2 level which contains strongly absorbing particles, are needed to fit the observations. For a Rayleigh phase function, such a haze (uniformly mixed with the gas above this level) would have an absorption optical depth of 0.16 and a single scattering particle albedo of 0.30. This modification would imply a fraction of normal H2 equal to 0.25 + or - 0.10, in agreement with the Baines and Bergstralh standard model.

Coherent Backscattering by Particulate Planetary Media of Nonspherical Particles

NASA Astrophysics Data System (ADS)

Muinonen, Karri; Penttila, Antti; Wilkman, Olli; Videen, Gorden

2014-11-01

The so-called radiative-transfer coherent-backscattering method (RT-CB) has been put forward as a practical Monte Carlo method to compute multiple scattering in discrete random media mimicking planetary regoliths (K. Muinonen, Waves in Random Media 14, p. 365, 2004). In RT-CB, the interaction between the discrete scatterers takes place in the far-field approximation and the wave propagation faces exponential extinction. There is a significant constraint in the RT-CB method: it has to be assumed that the form of the scattering matrix is that of the spherical particle. We aim to extend the RT-CB method to nonspherical single particles showing significant depolarization characteristics. First, ensemble-averaged single-scattering albedos and phase matrices of nonspherical particles are matched using a phenomenological radiative-transfer model within a microscopic volume element. Second, the phenomenologial single-particle model is incorporated into the Monte Carlo RT-CB method. In the ray tracing, the electromagnetic phases within the microscopic volume elements are omitted as having negligible lengths, whereas the phases are duly accounted for in the paths between two or more microscopic volume elements. We assess the computational feasibility of the extended RT-CB method and show preliminary results for particulate media mimicking planetary regoliths. The present work can be utilized in the interpretation of astronomical observations of asteroids and other planetary objects. In particular, the work sheds light on the depolarization characteristics of planetary regoliths at small phase angles near opposition. The research has been partially funded by the ERC Advanced Grant No 320773 entitled “Scattering and Absorption of Electromagnetic Waves in Particulate Media” (SAEMPL), by the Academy of Finland (contract 257966), NASA Outer Planets Research Program (contract NNX10AP93G), and NASA Lunar Advanced Science and Exploration Research Program (contract NNX11AB25G).

Cumulants vs correlation functions and the QCD phase diagram at low energies

DOE PAGES

Bzdak, A.; Koch, V.; Skokov, V.; ...

2017-09-25

We discuss the relation between particle number cumulants and genuine correlation functions. Here, it is argued that measuring multi-particle correlation functions could provide cleaner information on possible non-trivial dynamics in heavy-ion collisions.

Cumulants vs correlation functions and the QCD phase diagram at low energies

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

Bzdak, A.; Koch, V.; Skokov, V.

We discuss the relation between particle number cumulants and genuine correlation functions. Here, it is argued that measuring multi-particle correlation functions could provide cleaner information on possible non-trivial dynamics in heavy-ion collisions.

The Kubo-Greenwood formula as a result of the random phase approximation for the electrons of the metal

NASA Astrophysics Data System (ADS)

Ivliev, S. V.

2017-12-01

For calculation of short laser pulse absorption in metal the imaginary part of permittivity, which is simply related to the conductivity, is required. Currently to find the static and dynamic conductivity the Kubo-Greenwood formula is most commonly used. It describes the electromagnetic energy absorption in the one-electron approach. In the present study, this formula is derived directly from the expression for the permittivity expression in the random phase approximation, which in fact is equivalent to the method of the mean field. The detailed analysis of the role of electron-electron interaction in the calculation of the matrix elements of the velocity operator is given. It is shown that in the one-electron random phase approximation the single-particle conductive electron wave functions in the field of fixed ions should be used. The possibility of considering the exchange and correlation effects by means of an amendment to a local function field is discussed.

Controlled phase evolution and the occurrence of single domain CoFe2O4 nanoparticles synthesized by PVA assisted sol-gel method

NASA Astrophysics Data System (ADS)

Srinivasa Rao, K.; Ranga Nayakulu, S. V.; Chaitanya Varma, M.; Choudary, G. S. V. R. K.; Rao, K. H.

2018-04-01

The present investigation describes the development of cobalt ferrite nanoparticles having size less than 10 nm, by a sol-gel method using polyvinyl alcohol as chelating agent. X-ray results show all the samples, annealed above 700 °C have spinel structure. The information about phase evolution with reaction temperatures was obtained by subjecting the as-prepared powder for DSC/TGA study. High saturation magnetization of 84.63 emu/g has been observed for a particle size of 8.1 nm, a rare event reported till date. The dM/dH versus H curves suggest that the transition from single domain state to multi-domain state occurs with increasing annealing temperature and the critical size for the single domain nature of CoFe2O4 is around 6.5 nm. The estimated critical diameter for single domain particle (6.7 nm) is in good agreement with that (6.5 nm) obtained from Transmission Electron Micrographs. The highest coercivity (1645 Oe) has been found for a particle of size 6.5 nm.

Self-Assembly of DNA-Coated Particles: Experiment, Simulation and Theory

NASA Astrophysics Data System (ADS)

Song, Minseok

The bottom-up assembly of material architectures with tunable complexity, function, composition, and structure is a long sought goal in rational materials design. One promising approach aims to harnesses the programmability and specificity of DNA hybridization in order to direct the assembly of oligonucleotide-functionalized nano- and micro-particles by tailoring, in part, interparticle interactions. DNA-programmable assembly into three-dimensionally ordered structures has attracted extensive research interest owing to emergent applications in photonics, plasmonics and catalysis and potentially many other areas. Progress on the rational design of DNA-mediated interactions to create useful two-dimensional structures (e.g., structured films), on the other hand, has been rather slow. In this thesis, we establish strategies to engineer a diversity of 2D crystalline arrangements by designing and exploiting DNA-programmable interparticle interactions. We employ a combination of simulation, theory and experiments to predict and confirm accessibility of 2D structural diversity in an effort to establish a rational approach to 2D DNA-mediated particle assembly. We start with the experimental realization of 2D DNA-mediated assembly by decorating micron-sized silica particles with covalently attached single-stranded DNA through a two-step reaction. Subsequently, we elucidate sensitivity and ultimate controllability of DNA-mediated assembly---specifically the melting transition from dispersed singlet particles to aggregated or assembled structures---through control of the concentration of commonly employed nonionic surfactants. We relate the observed tunability to an apparent coupling with the critical micelle temperature in these systems. Also, both square and hexagonal 2D ordered particle arrangements are shown to evolve from disordered aggregates under appropriate annealing conditions defined based upon pre-established melting profiles. Subsequently, the controlled mixing of complementary ssDNA functionality on individual particles ('multi-flavoring') as opposed to functionalization of particles with the same type of ssDNA ('uni-flavoring') is explored as a possible design handle for tuning interparticle interactions and, thereby, accessing diverse structures. We employ a combination of simulations, theory, and experimental validation toward establishing 'multi-flavoring' as a rational design strategy. Firstly, MD simulations are carried out using effective pair potentials to describe interparticle interactions that are representative of different degrees of ssDNA 'multi-flavoring'. These simulations reveal the template-free assembly of a diversity of 2D crystal polymorphs that is apparently tunable by controlling the relative attractive strengths between like and unlike functionalized particles. The resulting phase diagrams predict conditions (i.e., strengths of relative interparticle interactions) for obtaining crystalline phases with lattice symmetries ranging among square, alternating string hexagonal, random hexagonal, rhombic, honeycomb, and even kagome. Finally, these model findings are translated to experiments, in which binary microparticles are decorated with a tailored mixture of two different complementary ssDNA strands as a straight-forward means to realize tunable particle interactions. Guided by simple statistical mechanics and the detailed MD simulations, 'multi-flavoring' and control of solution phase particle stoichiometry resulted in experimental realization of structurally diverse 2D microparticle assemblies consistent with predictions, such as square, pentagonal and hexagonal lattices (honeycomb, kagome). The combined simulation, theory, and experimental findings reveal how control of interparticle interactions via DNA-functionalized particle "multi-flavoring" can lead to an even wider range of accessible colloidal crystal structures. The 2D experiments coupled with the model predictions may be used to provide new fundamental insight into nano- or microparticle assembly in three dimensions.

Effect of short-range correlations on the single proton 3s1/2 wave function in 206Pb

NASA Astrophysics Data System (ADS)

Shlomo, S.; Talmi, I.; Anders, M. R.; Bonasera, G.

2018-02-01

We consider the experimental data for difference, Δρc (r), between the charge density distributions of the isotones 206Pb - 205Tl, deduced by analysis of elastic electron scattering measurements and corresponds to the shell model 3s1/2 proton orbit. We investigate the effects of two-body short-range correlations. This is done by: (a) Determining the corresponding single particle potential (mean-field), employing a novel method, directly from the single particle proton density and its first and second derivatives. We also carried out least-square fits to parametrized single particle potentials; (b) Determining the short-range correlations effect by employing the Jastrow correlated many-body wave function to derive a correlation factor for the single particle density distribution. The 3s 1/2 wave functions of the determined potentials reproduce fairly well the experimental data within the quoted errors. The calculated charge density difference, Δρc (r), obtained with the inclusion of the short-range correlation effect does not reproduce the experimental data.

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.

Aerosolized Antimicrobial Agents Based on Degradable Dextran Nanoparticles Loaded with Silver Carbene Complexes

PubMed Central

Ornelas-Megiatto, Cátia; Shah, Parth N.; Wich, Peter R.; Cohen, Jessica L.; Tagaev, Jasur A.; Smolen, Justin A.; Wright, Brian D.; Panzner, Matthew J.; Youngs, Wiley J.; Fréchet, Jean M. J.; Cannon, Carolyn L.

2012-01-01

Degradable acetalated dextran (Ac-DEX) nanoparticles were prepared and loaded with a hydrophobic silver carbene complex (SCC) by a single-emulsion process. The resulting particles were characterized for morphology and size distribution using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The average particle size and particle size distribution were found to be a function of the ratio of the organic phase to the surfactant containing aqueous phase with a 1:5 volume ratio of Ac-DEX CH2Cl2 (organic): PBS (aqueous) being optimal for the formulation of nanoparticles with an average size of 100 ± 40 nm and a low polydispersity. The SCC loading was found to increase with an increase in the SCC quantity in the initial feed used during particle formulation up to 30% (w/w); however, the encapsulation efficiency was observed to be the best at a feed ratio of 20% (w/w). In vitro efficacy testing of the SCC loaded Ac-DEX nanoparticles demonstrated their activity against both Gram-negative and Gram-positive bacteria; the nanoparticles inhibited the growth of every bacterial species tested. As expected, a higher concentration of drug was required to inhibit bacterial growth when the drug was encapsulated within the nanoparticle formulations compared with the free drug illustrating the desired depot release. Compared with free drug, the Ac-DEX nanoparticles were much more readily suspended in an aqueous phase and subsequently aerosolized, thus providing an effective method of pulmonary drug delivery. PMID:23025592

Aerosolized antimicrobial agents based on degradable dextran nanoparticles loaded with silver carbene complexes.

PubMed

Ornelas-Megiatto, Cátia; Shah, Parth N; Wich, Peter R; Cohen, Jessica L; Tagaev, Jasur A; Smolen, Justin A; Wright, Brian D; Panzner, Matthew J; Youngs, Wiley J; Fréchet, Jean M J; Cannon, Carolyn L

2012-11-05

Degradable acetalated dextran (Ac-DEX) nanoparticles were prepared and loaded with a hydrophobic silver carbene complex (SCC) by a single-emulsion process. The resulting particles were characterized for morphology and size distribution using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and dynamic light scattering (DLS). The average particle size and particle size distribution were found to be a function of the ratio of the organic phase to the surfactant containing aqueous phase with a 1:5 volume ratio of Ac-DEX CH(2)Cl(2) (organic):PBS (aqueous) being optimal for the formulation of nanoparticles with an average size of 100 ± 40 nm and a low polydispersity. The SCC loading was found to increase with an increase in the SCC quantity in the initial feed used during particle formulation up to 30% (w/w); however, the encapsulation efficiency was observed to be the best at a feed ratio of 20% (w/w). In vitro efficacy testing of the SCC loaded Ac-DEX nanoparticles demonstrated their activity against both Gram-negative and Gram-positive bacteria; the nanoparticles inhibited the growth of every bacterial species tested. As expected, a higher concentration of drug was required to inhibit bacterial growth when the drug was encapsulated within the nanoparticle formulations compared with the free drug illustrating the desired depot release. Compared with free drug, the Ac-DEX nanoparticles were much more readily suspended in an aqueous phase and subsequently aerosolized, thus providing an effective method of pulmonary drug delivery.

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.

The free-electron laser - Maxwell's equations driven by single-particle currents

NASA Technical Reports Server (NTRS)

Colson, W. B.; Ride, S. K.

1980-01-01

It is shown that if single particle currents are coupled to Maxwell's equations, the resulting set of self-consistent nonlinear equations describes the evolution of the electron beam and the amplitude and phase of the free-electron-laser field. The formulation is based on the slowly varying amplitude and phase approximation, and the distinction between microscopic and macroscopic scales, which distinguishes the microscopic bunching from the macroscopic pulse propagation. The capabilities of this new theoretical approach become apparent when its predictions for the ultrashort pulse free-electron laser are compared to experimental data; the optical pulse evolution, determined simply and accurately, agrees well with observations.

Phase transition between quantum and classical regimes for the escape rate of dimeric molecular nanomagnets in a staggered magnetic field

NASA Astrophysics Data System (ADS)

Owerre, S. A.; Paranjape, M. B.

2014-04-01

We study the phase transition of the escape rate of exchange-coupled dimer of single-molecule magnets which are coupled either ferromagnetically or antiferromagnetically in a staggered magnetic field and an easy z-axis anisotropy. The Hamiltonian for this system has been used to study dimeric molecular nanomagnet [Mn4]2 which is comprised of two single molecule magnets coupled antiferromagnetically. We generalize the method of mapping a single-molecule magnetic spin problem onto a quantum-mechanical particle to dimeric molecular nanomagnets. The problem is mapped to a single particle quantum-mechanical Hamiltonian in terms of the relative coordinate and a coordinate dependent reduced mass. It is shown that the presence of the external staggered magnetic field creates a phase boundary separating the first- from the second-order transition. With the set of parameters used by R. Tiron et al. (2003) [25] and S. Hill et al. (2003) [20] to fit experimental data for [Mn4]2 dimer we find that the critical temperature at the phase boundary is T0(c)=0.29K. Therefore, thermally activated transitions should occur for temperatures greater than T0(c).

Binary Mixtures of Particles with Different Diffusivities Demix.

PubMed

Weber, Simon N; Weber, Christoph A; Frey, Erwin

2016-02-05

The influence of size differences, shape, mass, and persistent motion on phase separation in binary mixtures has been intensively studied. Here we focus on the exclusive role of diffusivity differences in binary mixtures of equal-sized particles. We find an effective attraction between the less diffusive particles, which are essentially caged in the surrounding species with the higher diffusion constant. This effect leads to phase separation for systems above a critical size: A single close-packed cluster made up of the less diffusive species emerges. Experiments for testing our predictions are outlined.

Nonlinear collisionless electron cyclotron interaction in the pre-ionisation stage

NASA Astrophysics Data System (ADS)

Farina, D.

2018-06-01

Electron cyclotron (EC) wave-particle interaction is theoretically investigated in the pre-ionisation phase, much before collisions and other mechanisms can play a role. In the very first phase of a plasma discharge with EC-assisted breakdown, the motion of an electron at room temperature in a static magnetic field under the action of a localised microwave beam is nonlinear, and transition to states of larger energy can occur via wave trapping. Within a Hamiltonian adiabatic formalism, the conditions at which the particles gain energy in single beam crossing are derived in a rigorous way, and the energy variation is characterized quantitatively as a function of the wave frequency, harmonic number, polarisation and EC power and beam width. Estimates of interest for applications to tokamak start-up are obtained for the first, second and third cyclotron harmonic. The investigation confirms that electrons can easily gain energies well above the ionisation energy in most conditions at the first two harmonics, while not at the third harmonic, as observed in experiments.

Swelling, Structure, and Phase Stability of Soft, Compressible Microgels

NASA Astrophysics Data System (ADS)

Denton, Alan R.; Urich, Matthew

Microgels are soft colloidal particles that swell when dispersed in a solvent. The equilibrium particle size is governed by a delicate balance of osmotic pressures, which can be tuned by varying single-particle properties and externally controlled conditions, such as temperature, pH, ionic strength, and concentration. Because of their tunable size and ability to encapsulate dye or drug molecules, microgels have practical relevance for biosensing, drug delivery, carbon capture, and filtration. Using Monte Carlo simulation, we model suspensions of microgels that interact via Hertzian elastic interparticle forces and can expand or contract via trial size changes governed by the Flory-Rehner free energy of cross-linked polymer gels. We analyze the influence of particle compressibility and size fluctuations on bulk structural and thermal properties by computing swelling ratios, radial distribution functions, static structure factors, osmotic pressures, and freezing densities. With increasing density, microgels progressively deswell and their intrinsic polydispersity broadens, while compressibility acts to forestall crystallization. This work was supported by the National Science Foundation under Grant No. DMR- 1106331.

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.

The experimental investigation of the ignition petrol mechanism at high temperature metal single particles

NASA Astrophysics Data System (ADS)

Zakharevich, Arkadiy V.; Osotova, Diana S.

2015-01-01

The flammable substance by single "hot" metallic particle ignition mechanism are experimentally investigated. On the basis experimental data it is established that the gasoline ignition occurs only with interaction of the mixture of its vapors with air and "hot" particle with the vapors concentrations, which correspond to the evaporating the gasoline conditions at room temperatures. The probability of gasoline vapors mixture with air igniting rapidly is reduced in proportion to their withdrawal from the evaporation surface. Ignition occurs neither in the vapor phase nor on the gasoline surface, even if particle is immersed in it in full or in partly, if the particle temperature is lower than the critical.

Time-Reversal Symmetry-Breaking Nematic Insulators near Quantum Spin Hall Phase Transitions.

PubMed

Xue, Fei; MacDonald, A H

2018-05-04

We study the phase diagram of a model quantum spin Hall system as a function of band inversion and band-coupling strength, demonstrating that when band hybridization is weak, an interaction-induced nematic insulator state emerges over a wide range of band inversion. This property is a consequence of the long-range Coulomb interaction, which favors interband phase coherence that is weakly dependent on momentum and therefore frustrated by the single-particle Hamiltonian at the band inversion point. For weak band hybridization, interactions convert the continuous gap closing topological phase transition at inversion into a pair of continuous phase transitions bounding a state with broken time-reversal and rotational symmetries. At intermediate band hybridization, the topological phase transition proceeds instead via a quantum anomalous Hall insulator state, whereas at strong hybridization interactions play no role. We comment on the implications of our findings for InAs/GaSb and HgTe/CdTe quantum spin Hall systems.

Time-Reversal Symmetry-Breaking Nematic Insulators near Quantum Spin Hall Phase Transitions

NASA Astrophysics Data System (ADS)

Xue, Fei; MacDonald, A. H.

2018-05-01

We study the phase diagram of a model quantum spin Hall system as a function of band inversion and band-coupling strength, demonstrating that when band hybridization is weak, an interaction-induced nematic insulator state emerges over a wide range of band inversion. This property is a consequence of the long-range Coulomb interaction, which favors interband phase coherence that is weakly dependent on momentum and therefore frustrated by the single-particle Hamiltonian at the band inversion point. For weak band hybridization, interactions convert the continuous gap closing topological phase transition at inversion into a pair of continuous phase transitions bounding a state with broken time-reversal and rotational symmetries. At intermediate band hybridization, the topological phase transition proceeds instead via a quantum anomalous Hall insulator state, whereas at strong hybridization interactions play no role. We comment on the implications of our findings for InAs/GaSb and HgTe/CdTe quantum spin Hall systems.

Characterization of new types of stationary phases for fast and ultra-fast liquid chromatography by signal processing based on AutoCovariance Function: a case study of application to Passiflora incarnata L. extract separations.

PubMed

Pietrogrande, Maria Chiara; Dondi, Francesco; Ciogli, Alessia; Gasparrini, Francesco; Piccin, Antonella; Serafini, Mauro

2010-06-25

In this study, a comparative investigation was performed of HPLC Ascentis (2.7 microm particles) columns based on fused-core particle technology and Acquity (1.7 microm particles) columns requiring UPLC instruments, in comparison with Chromolith RP-18e columns. The study was carried out on mother and vegetal tinctures of Passiflora incarnata L. on one single or two coupled columns. The fundamental attributions of the chromatographic profiles are evaluated using a chemometric procedure, based on the AutoCovariance Function (ACVF). Different chromatographic systems are compared in terms of their separation parameters, i.e., number of total chemical components (m(tot)), separation efficiency (sigma), peak capacity (n(c)), overlap degree of peaks and peak purity. The obtained results show the improvements achieved by HPLC columns with narrow size particles in terms of total analysis time and chromatographic efficiency: comparable performance are achieved by Ascentis (2.7 microm particle) column and Acquity (1.7 microm particle) column requiring UPLC instruments. The ACVF plot is proposed as a simplified tool describing the chromatographic fingerprint to be used for evaluating and comparing chemical composition of plant extracts by using the parameters D% - relative abundance of the deterministic component - and c(EACF) - similarity index computed on ACVF. Copyright 2010 Elsevier B.V. All rights reserved.

The role of carbon solubility in Fe-C nano-clusters on the growth of small single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Curtarolo, Stefano; Awasthy, Neha; Setyawan, Wahyu; Mora, Elena; Tokune, Toshio; Bolton, Kim; Harutyunyan, Avetik

2008-03-01

Various diameters of alumina-supported Fe catalysts are used to grow single-walled carbon nanotubes (SWCNTs) with chemical vapor decomposition. We find that the reduction of the catalyst size requires an increase of the minimum temperature necessary for the growth. We address this phenomenon in terms of solubility of C in Fe nanoclusters and, by using first principles calculations, we devise a simple model to predict the behavior of the phases competing for stability in Fe-C nanoclusters at low temperature. We show that, as a function particles size, there are three scenarios compatible with steady state-, limited- and no-growth of SWCNTs, corresponding to unaffected, reduced and no solubility of C in the particles. The result raises previously unknown concerns about the growth feasibility of small and very-long SWCNTs within the current Fe CVD technology, and suggests new strategies in the search of better catalysts. Research supported by Honda R.I. and NSF.

Online single particle measurement of fireworks pollution during Chinese New Year in Nanning.

PubMed

Li, Jingyan; Xu, Tingting; Lu, Xiaohui; Chen, Hong; Nizkorodov, Sergey A; Chen, Jianmin; Yang, Xin; Mo, Zhaoyu; Chen, Zhiming; Liu, Huilin; Mao, Jingying; Liang, Guiyun

2017-03-01

Time-resolved single-particle measurements were conducted during Chinese New Year in Nanning, China. Firework displays resulted in a burst of SO 2 , coarse mode, and accumulation mode (100-500nm) particles. Through single particle mass spectrometry analysis, five different types of particles (fireworks-metal, ash, dust, organic carbon-sulfate (OC-sulfate), biomass burning) with different size distributions were identified as primary emissions from firework displays. The fireworks-related particles accounted for more than 70% of the total analyzed particles during severe firework detonations. The formation of secondary particulate sulfate and nitrate during firework events was investigated on single particle level. An increase of sulfite peak (80SO 3 - ) followed by an increase of sulfate peaks (97HSO 4 - +96SO 4 - ) in the mass spectra during firework displays indicated the aqueous uptake and oxidation of SO 2 on particles. High concentration of gaseous SO 2 , high relative humidity and high particle loading likely promoted SO 2 oxidation. Secondary nitrate formed through gas-phase oxidation of NO 2 to nitric acid, followed by the condensation into particles as ammonium nitrate. This study shows that under worm, humid conditions, both primary and secondary aerosols contribute to the particulate air pollution during firework displays. Copyright © 2016. Published by Elsevier B.V.

Optical potential from first principles

DOE PAGES

Rotureau, J.; Danielewicz, P.; Hagen, G.; ...

2017-02-15

Here, we develop a method to construct a microscopic optical potential from chiral interactions for nucleon-nucleus scattering. The optical potential is constructed by combining the Green’s function approach with the coupled-cluster method. To deal with the poles of the Green’s function along the real energy axis we employ a Berggren basis in the complex energy plane combined with the Lanczos method. Using this approach, we perform a proof-of-principle calculation of the optical potential for the elastic neutron scattering on 16O. For the computation of the ground-state of 16O, we use the coupled-cluster method in the singles-and-doubles approximation, while for themore » A ±1 nuclei we use particle-attached/removed equation-of-motion method truncated at two-particle-one-hole and one-particle-two-hole excitations, respectively. We verify the convergence of the optical potential and scattering phase shifts with respect to the model-space size and the number of discretized complex continuum states. We also investigate the absorptive component of the optical potential (which reflects the opening of inelastic channels) by computing its imaginary volume integral and find an almost negligible absorptive component at low-energies. To shed light on this result, we computed excited states of 16O using equation-of-motion coupled-cluster method with singles-and- doubles excitations and we found no low-lying excited states below 10 MeV. Furthermore, most excited states have a dominant two-particle-two-hole component, making higher-order particle-hole excitations necessary to achieve a precise description of these core-excited states. We conclude that the reduced absorption at low-energies can be attributed to the lack of correlations coming from the low-order cluster truncation in the employed coupled-cluster method.« less

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.

Solid hydrogen coated graphite particles in the interstellar medium. I.

NASA Technical Reports Server (NTRS)

Swamy, K. S. K.; Wickramasinghe, N. C.

1969-01-01

Solid para hydrogen coated graphite particles expulsion into interstellar medium from star formation regions, considering mantles stability and particles extinction efficiency, albedo and phase function

Fluorescence imaging of single-molecule retention trajectories in reversed-phase chromatographic particles.

PubMed

Cooper, Justin T; Peterson, Eric M; Harris, Joel M

2013-10-01

Due to its high specific surface area and chemical stability, porous silica is used as a support structure in numerous applications, including heterogeneous catalysis, biomolecule immobilization, sensors, and liquid chromatography. Reversed-phase liquid chromatography (RPLC), which uses porous silica support particles, has become an indispensable separations tool in quality control, pharmaceutics, and environmental analysis requiring identification of compounds in mixtures. For complex samples, the need for higher resolution separations requires an understanding of the time scale of processes responsible for analyte retention in the stationary phase. In the present work, single-molecule fluorescence imaging is used to observe transport of individual molecules within RPLC porous silica particles. This technique allows direct measurement of intraparticle molecular residence times, intraparticle diffusion rates, and the spatial distribution of molecules within the particle. On the basis of the localization uncertainty and characteristic measured diffusion rates, statistical criteria were developed to resolve the frame-to-frame behavior of molecules into moving and stuck events. The measured diffusion coefficient of moving molecules was used in a Monte Carlo simulation of a random-walk model within the cylindrical geometry of the particle diameter and microscope depth-of-field. The simulated molecular transport is in good agreement with the experimental data, indicating transport of moving molecules in the porous particle is described by a random-walk. Histograms of stuck-molecule event times, locations, and their contributions to intraparticle residence times were also characterized.

Adiabatic description of long range frequency sweeping

NASA Astrophysics Data System (ADS)

Nyqvist, R. M.; Lilley, M. K.; Breizman, B. N.

2012-09-01

A theoretical framework is developed to describe long range frequency sweeping events in the 1D electrostatic bump-on-tail model with fast particle sources and collisions. The model includes three collision operators (Krook, drag (dynamical friction) and velocity space diffusion), and allows for a general shape of the fast particle distribution function. The behaviour of phase space holes and clumps is analysed in the absence of diffusion, and the effect of particle trapping due to separatrix expansion is discussed. With a fast particle distribution function whose slope decays above the resonant phase velocity, hooked frequency sweeping is found for holes in the presence of drag collisions alone.

Narrowly peaked forward light scattering on particulate media: II. Angular spreading of light scattered by polystyrene microspheres

NASA Astrophysics Data System (ADS)

Turcu, Ioan; Bratfalean, Radu; Neamtu, Silvia

2008-07-01

The adequacy of the effective phase function (EPF) used to describe the light scattered at small angles was tested on aqueous suspensions of polystyrene microspheres. Angular resolved light scattering measurements were performed on two types of latex suspension, which contained polystyrene spheres of 3 µm and 5 µm diameters, respectively. The experimental data were fitted with two EPF approximants. If the polystyrene spheres are at least 3 µm in diameter the quasi-ballistic light scattering process can be described relatively well by the EPF in a small angular range centered in the forward direction. The forward light scattering by macroscopic samples containing microspheres can be modeled relatively well if the true Mie single particle scattering phase function is replaced by a simpler Henyey-Greenstein dependence having the same width at half-height as the first scattering lobe.

Investigating radiation induced damage processes with femtosecond x-ray pulses (Conference Presentation)

NASA Astrophysics Data System (ADS)

Song, Changyong

2017-05-01

Interest in high-resolution structure investigation has been zealous, especially with the advent of X-ray free electron lasers (XFELs). The intense and ultra-short X-ray laser pulses ( 10 GW) pave new routes to explore structures and dynamics of single macromolecules, functional nanomaterials and complex electronic materials. In the last several years, we have developed XFEL single-shot diffraction imaging by probing ultrafast phase changes directly. Pump-probe single-shot imaging was realized by synchronizing femtosecond (<10 fs in FWHM) X-ray laser (probe) with femtosecond (50 fs) IR laser (pump) at better than 1 ps resolution. Nanoparticles under intense fs-laser pulses were investigated with fs XFEL pulses to provide insight into the irreversible particle damage processes with nanoscale resolution. Research effort, introduced, aims to extend the current spatio-temporal resolution beyond the present limit. We expect this single-shot dynamic imaging to open new science opportunity with XFELs.

Random walk to a nonergodic equilibrium concept

NASA Astrophysics Data System (ADS)

Bel, G.; Barkai, E.

2006-01-01

Random walk models, such as the trap model, continuous time random walks, and comb models, exhibit weak ergodicity breaking, when the average waiting time is infinite. The open question is, what statistical mechanical theory replaces the canonical Boltzmann-Gibbs theory for such systems? In this paper a nonergodic equilibrium concept is investigated, for a continuous time random walk model in a potential field. In particular we show that in the nonergodic phase the distribution of the occupation time of the particle in a finite region of space approaches U- or W-shaped distributions related to the arcsine law. We show that when conditions of detailed balance are applied, these distributions depend on the partition function of the problem, thus establishing a relation between the nonergodic dynamics and canonical statistical mechanics. In the ergodic phase the distribution function of the occupation times approaches a δ function centered on the value predicted based on standard Boltzmann-Gibbs statistics. The relation of our work to single-molecule experiments is briefly discussed.

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.

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.

Colloidal polymer particles as catalyst carriers and phase transfer agents in multiphasic hydroformylation reactions.

PubMed

Peral, D; Stehl, D; Bibouche, B; Yu, H; Mardoukh, J; Schomäcker, R; Klitzing, R von; Vogt, D

2018-03-01

Colloidal particles have been used to covalently bind ligands for the heterogenization of homogeneous catalysts. The replacement of the covalent bonds by electrostatic interactions between particles and the catalyst could preserve the selectivity of a truly homogeneous catalytic process. Functionalized polymer particles with trimethylammonium moieties, dispersed in water, with a hydrophobic core and a hydrophilic shell have been synthesized by emulsion polymerization and have been thoroughly characterized. The ability of the particles with different monomer compositions to act as catalyst carriers has been studied. Finally, the colloidal dispersions have been applied as phase transfer agents in the multiphasic rhodium-catalyzed hydroformylation of 1-octene. The hydrodynamic radius of the particles has been shown to be around 100 nm, and a core-shell structure could be observed by atomic force microscopy. The polymer particles were proven to act as carriers for the water-soluble hydroformylation catalyst, due to electrostatic interaction between the functionalized particles bearing ammonium groups and the sulfonated ligands of the catalyst. The particles were stable under the hydroformylation conditions and the aqueous catalyst phase could be recycled three times. Copyright © 2017 Elsevier Inc. All rights reserved.

Adaptation of multidimensional group particle tracking and particle wall-boundary condition model to the FDNS code

NASA Technical Reports Server (NTRS)

Chen, Y. S.; Farmer, R. C.

1992-01-01

A particulate two-phase flow CFD model was developed based on the FDNS code which is a pressure based predictor plus multi-corrector Navier-Stokes flow solver. Turbulence models with compressibility correction and the wall function models were employed as submodels. A finite-rate chemistry model was used for reacting flow simulation. For particulate two-phase flow simulations, a Eulerian-Lagrangian solution method using an efficient implicit particle trajectory integration scheme was developed in this study. Effects of particle-gas reaction and particle size change to agglomeration or fragmentation were not considered in this investigation. At the onset of the present study, a two-dimensional version of FDNS which had been modified to treat Lagrangian tracking of particles (FDNS-2DEL) had already been written and was operational. The FDNS-2DEL code was too slow for practical use, mainly because it had not been written in a form amenable to vectorization on the Cray, nor was the full three-dimensional form of FDNS utilized. The specific objective of this study was to reorder to calculations into long single arrays for automatic vectorization on the Cray and to implement the full three-dimensional version of FDNS to produce the FDNS-3DEL code. Since the FDNS-2DEL code was slow, a very limited number of test cases had been run with it. This study was also intended to increase the number of cases simulated to verify and improve, as necessary, the particle tracking methodology coded in FDNS.

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.

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

Confocal Raman microscopy for monitoring chemical reactions on single optically trapped, solid-phase support particles.

PubMed

Houlne, Michael P; Sjostrom, Christopher M; Uibel, Rory H; Kleimeyer, James A; Harris, Joel M

2002-09-01

Optical trapping of small structures is a powerful tool for the manipulation and investigation of colloidal and particulate materials. The tight focus excitation requirements of optical trapping are well suited to confocal Raman microscopy. In this work, an inverted confocal Raman microscope is developed for studies of chemical reactions on single, optically trapped particles and applied to reactions used in solid-phase peptide synthesis. Optical trapping and levitation allow a particle to be moved away from the coverslip and into solution, avoiding fluorescence interference from the coverslip. More importantly, diffusion of reagents into the particle is not inhibited by a surface, so that reaction conditions mimic those of particles dispersed in solution. Optical trapping and levitation also maintain optical alignment, since the particle is centered laterally along the optical axis and within the focal plane of the objective, where both optical forces and light collection are maximized. Hour-long observations of chemical reactions on individual, trapped silica particles are reported. Using two-dimensional least-squares analysis methods, the Raman spectra collected during the course of a reaction can be resolved into component contributions. The resolved spectra of the time-varying species can be observed, as they bind to or cleave from the particle surface.

Magnetophoretic velocimetry of manganese(II) in a single microdroplet in a flow system under a high gradient magnetic field generated with a superconducting magnet.

PubMed

Suwa, Masayori; Watarai, Hitoshi

2002-10-01

An experimental system for magnetophoretic velocimetry, which could determine the volume magnetic susceptibility of a single particle dispersed in a liquid phase from a magnetophoretic velocity, has been developed. A micrometer-sized high-gradient magnetic field could be generated in a capillary by a pair of iron pole pieces in a superconducting magnet (10 T). The magnetophoretic behavior of a single particle in a capillary flow system was investigated under the inhomogeneous magnetic field. From the magnetophoretic velocity of a polystyrene latex particle dispersed in a MnCl2 aqueous solution, the product of the magnetic flux density and the gradient, B(dB/dx), was determined as a function of the position along the capillary. The maximum value of B(dB/dx) was 4.7 x 10(4) T2 m(-1), which was approximately 100 times higher than that obtained by two Nd-Fe-B permanent magnets (0.4 T). Organic droplets extracting manganese(II) with 2-thenoyltrifluoroacetone and tri-n-octylphosphine oxide from MnCl2 solution were used as test samples. The difference of the volume magnetic susceptibility between the droplet and the medium could be determined from the magnetophoretic velocity. This method allowed us to continuously measure a volume magnetic susceptibility of 10-6 level for a picoliter droplet and to determine manganese(II) in the single droplet at the attomole level.

Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins

PubMed Central

Tsai, Chun-Ying; Chang, Yuan-Chih; Lobato, Ivan; Van Dyck, Dirk; Chen, Fu-Rong

2016-01-01

The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 Å resolution but using a strongly reduced number of images. PMID:27292544

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.

The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors.

PubMed

Hinton, J P; Thewalt, E; Alpichshev, Z; Mahmood, F; Koralek, J D; Chan, M K; Veit, M J; Dorow, C J; Barišić, N; Kemper, A F; Bonn, D A; Hardy, W N; Liang, Ruixing; Gedik, N; Greven, M; Lanzara, A; Orenstein, J

2016-04-13

In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic "pseudogap" phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature Tc, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime, τqp, as a function of temperature and magnetic field in underdoped HgBa2CuO(4+δ) (Hg-1201) and YBa2Cu3O(6+x) (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τqp(T) exhibits a local maximum in a small temperature window near Tc that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that Tc marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs.

The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors

PubMed Central

Hinton, J. P.; Thewalt, E.; Alpichshev, Z.; Mahmood, F.; Koralek, J. D.; Chan, M. K.; Veit, M. J.; Dorow, C. J.; Barišić, N.; Kemper, A. F.; Bonn, D. A.; Hardy, W. N.; Liang, Ruixing; Gedik, N.; Greven, M.; Lanzara, A.; Orenstein, J.

2016-01-01

In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic ”pseudogap” phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature Tc, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime, τqp, as a function of temperature and magnetic field in underdoped HgBa2CuO4+δ (Hg-1201) and YBa2Cu3O6+x (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τqp(T ) exhibits a local maximum in a small temperature window near Tc that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that Tc marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs. PMID:27071712

Morphology control of anisotropic BaTiO 3 and BaTiOF 4 using organic-inorganic interaction

NASA Astrophysics Data System (ADS)

Masuda, Yoshitake; Tanaka, Yuki; Gao, Yanfeng; Koumoto, Kunihito

2009-01-01

We proposed a novel concept for morphology control of barium titanate precursor to fabricate platy particles. Organic molecules play an essential role in the crystallization of BaTiOF 4 to synthesize multi-needle particles, polyhedron particles or platy particles in an aqueous solution. Precursors were successfully transformed to barium titanate single phase by annealing. Platy barium titanate precursor particles are expected for future multilayer ceramic capacitors.

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

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

Differential and double-differential cross sections for the production of top quark pairs in proton-proton collisions at 13 TeV are measured as a function of jet multiplicity and of kinematic variables of the top quarks and the top quark-antiquark system. This analysis is based on data collected by the CMS experiment at the LHC corresponding to an integrated luminosity of 2.3 fb –1. The measurements are performed in the lepton+jets decay channels with a single muon or electron in the final state. Furthermore, the differential cross sections are presented at particle level, within a phase space close to the experimental acceptance,more » and at parton level in the full phase space. The results are compared to several standard model predictions.« less

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.

The phase function and density of the dust observed at comet 67P/Churyumov-Gerasimenko

NASA Astrophysics Data System (ADS)

Fulle, Marco; Bertini, I.; Della Corte, V.; Güttler, C.; Ivanovski, S.; La Forgia, F.; Lasue, J.; Levasseur-Regourd, A. C.; Marzari, F.; Moreno, F.; Mottola, S.; Naletto, G.; Palumbo, P.; Rinaldi, G.; Rotundi, A.; Sierks, H.; Barbieri, C.; Lamy, P. L.; Rodrigo, R.; Koschny, D.; Rickman, H.; Barucci, M. A.; Bertaux, J.-L.; Bodewits, D.; Cremonese, G.; Da Deppo, V.; Davidsson, B.; Debei, S.; De Cecco, M.; Deller, J.; Fornasier, S.; Groussin, O.; Gutiérrez, P. J.; Hviid, H. S.; Ip, W. H.; Jorda, L.; Keller, H. U.; Knollenberg, J.; Kramm, J. R.; Kührt, E.; Küppers, M.; Lara, M. L.; Lazzarin, M.; López-Moreno, J. J.; Shi, X.; Thomas, N.; Tubiana, C.

2018-05-01

The OSIRIS camera onboard Rosetta measured the phase function of both the coma dust and the nucleus. The two functions have a very different slope versus the phase angle. Here, we show that the nucleus phase function should be adopted to convert the brightness to the size of dust particles larger than 2.5 mm only. This makes the dust bursts observed close to Rosetta by OSIRIS, occurring about every hour, consistent with the fragmentation on impact with Rosetta of parent particles, whose flux agrees with the dust flux observed by GIADA. OSIRIS also measured the antisunward acceleration of the fragments, thus providing the first direct measurement of the solar radiation force acting on the dust fragments and thus of their bulk density, excluding any measurable rocket effect by the ice sublimation from the dust. The obtained particle density distribution has a peak matching the bulk density of most COSIMA particles, and represents a subset of the density distribution measured by GIADA. This implies a bias in the elemental abundances measured by COSIMA, which thus are consistent with the 67P dust mass fractions inferred by GIADA, i.e. (38 ± 8) {per cent} of hydrocarbons versus the (62 ± 8) {per cent} of sulphides and silicates.

Interaction-induced effects on Bose-Hubbard parameters

NASA Astrophysics Data System (ADS)

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

2017-12-01

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

Single particles measured by a light scattering module coupled to a time-of-flight aerosol mass spectrometer onboard the NOAA P-3 aircraft during SENEX

NASA Astrophysics Data System (ADS)

Liao, J.; Middlebrook, A. M.; Welti, A.; Sueper, D.; Murphy, D. M.

2014-12-01

Single particles in the eastern US were characterized by a light scattering module coupled to a time-of-flight aerosol mass spectrometer (LS-ToF-AMS) onboard the NOAA P-3 aircraft during the Southeastern Nexus (SENEX) campaign. Single particle data were collected for 30 seconds every 5 minutes. Aerosols larger than 200-300 nm in vacuum aerodynamic diameter can be optically detected by the 405 nm crystal laser and trigger the saving of single particle mass spectra. The measured single particles are internally-mixed as expected. The single particles were classified as prompt, delayed, and null based on the chemical ion signal arrival time difference between prediction from the light scattering signal and measurement by mass spectrometer and the presence or absence of a mass spectrum. On average the number fraction of particles detected as prompt, delayed, and null (no spectrum) is about 30%, 10%, and 60%. The number fraction of these three particle types varied with aerosol size, chemical composition and the investigation region and will be discussed in detail. For example, the number fraction of prompt particles was significantly higher for the flight to the Pennsylvania natural gas shale region on July 6, 2013, which is probably related to the chemical composition (more acidic) and phase of the ambient particles. These particle types and detection efficiency are related to the bouncing effect on the vaporizer and may provide insight into the non-unit AMS collection efficiency. Moreover, most of the particles larger than 800 nm in vacuum aerodynamic diameter sized with the traditional AMS PToF mode are delayed particles and their mass spectral signals appear to be affected by this process.

Unraveling the Complex Delithiation Mechanisms of Olivine-Type Cathode Materials, LiFe x Co 1–x PO 4

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

Strobridge, Fiona C.; Liu, Hao; Leskes, Michal

2016-06-14

The delithiation mechanisms occurring within the olivine-type class of cathode materials for Li-ion batteries have received considerable attention owing to the good capacity retention at high rates for LiFePO4. A comprehensive mechanistic study of the (de)lithiation reactions that occur when the substituted olivine-type cathode materials LiFexCo1-xPO4 (x = 0, 0.05, 0.125, 0.25, 0.5, 0.75, 0.875, 0.95 and 1) are electrochemically cycled is reported here, using in situ X-ray diffraction (XRD) data. On the first charge, two intermediate phases are observed and identified: Li1-x(Fe3+)x(Co2+)1- xPO4 for 0 < x < 1 (i.e. after oxidation of Fe2+ => Fe3+) and Li2/3FexCo1-xPO4 formore » 0 ≤ x ≤ 0.5 (i.e. the Co-majority materials). For the Fe-rich materials, we study how nonequilibrium, single-phase mechanisms that occur discretely in single particles, as observed for LiFePO4 at high rates, is affected by Co substitution. In the Co-majority materials, a two-phase mechanism with a coherent interface is observed, as was seen in LiCoPO4, and we discuss how it is manifested in the XRD patterns. We then compare the nonequilibrium, single-phase mechanism with the bulk single-phase and the coherent interface two-phase mechanisms. Despite the apparent differences between these mechanisms, we discuss how they are related and interconverted as a function of Fe/Co substitution and the potential implications for the electrochemistry of this system.« less

Aharonov–Anandan quantum phases and Landau quantization associated with a magnetic quadrupole moment

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

Fonseca, I.C.; Bakke, K., E-mail: kbakke@fisica.ufpb.br

The arising of geometric quantum phases in the wave function of a moving particle possessing a magnetic quadrupole moment is investigated. It is shown that an Aharonov–Anandan quantum phase (Aharonov and Anandan, 1987) can be obtained in the quantum dynamics of a moving particle with a magnetic quadrupole moment. In particular, it is obtained as an analogue of the scalar Aharonov–Bohm effect for a neutral particle (Anandan, 1989). Besides, by confining the quantum particle to a hard-wall confining potential, the dependence of the energy levels on the geometric quantum phase is discussed and, as a consequence, persistent currents can arisemore » from this dependence. Finally, an analogue of the Landau quantization is discussed. -- Highlights: •Scalar Aharonov–Bohm effect for a particle possessing a magnetic quadrupole moment. •Aharonov–Anandan quantum phase for a particle with a magnetic quadrupole moment. •Dependence of the energy levels on the Aharonov–Anandan quantum phase. •Landau quantization associated with a particle possessing a magnetic quadrupole moment.« less

Low laser power micro-Raman study of Co{sub (1−x)}Mn{sub (x)}Fe{sub 2}O{sub 4} prepared by flash combustion method

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

Baraliya, J. D.

2016-05-23

Manganese substituted Cobalt ferrites of composition with nominal formula Co{sub (1−x)}Mn{sub (x)}Fe{sub 2}O{sub 4} (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) prepared by the Flash Combustion Method(FCM). The single phase spinel formation of nano ferrites was confirmed by X-ray diffraction techniques and micro - Raman spectroscopy. The particle size calculated from the Scherrer formula varied within 13 to 17 nm. Lattice parameter, nano particle size, and cation distribution were quantified as a function of the Mn-content in the range x = 0.0 to 1.0. Micro-Raman spectroscopic studies yielded convincing evidence for a transformation of the structure.

Annular beam with segmented phase gradients

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

Cheng, Shubo; Wu, Liang; Tao, Shaohua, E-mail: eshtao@csu.edu.cn

2016-08-15

An annular beam with a single uniform-intensity ring and multiple segments of phase gradients is proposed in this paper. Different from the conventional superposed vortices, such as the modulated optical vortices and the collinear superposition of multiple orbital angular momentum modes, the designed annular beam has a doughnut intensity distribution whose radius is independent of the phase distribution of the beam in the imaging plane. The phase distribution along the circumference of the doughnut beam can be segmented with different phase gradients. Similar to a vortex beam, the annular beam can also exert torques and rotate a trapped particle owingmore » to the orbital angular momentum of the beam. As the beam possesses different phase gradients, the rotation velocity of the trapped particle can be varied along the circumference. The simulation and experimental results show that an annular beam with three segments of different phase gradients can rotate particles with controlled velocities. The beam has potential applications in optical trapping and optical information processing.« less

Inhomogeneities in particle composition of single, levitated aerosol particles observed by Mie resonance spectroscopy

NASA Astrophysics Data System (ADS)

Krieger, Ulrich; Lienhard, Daniel; Bastelberger, Sandra; Steimer, Sarah

2014-05-01

Recent observations have indicated that organic aerosol particles in the atmosphere may exist in an amorphous semi-solid or even solid (i.e. glassy) state, e.g. [1]. The influence of highly viscous and glassy states on the timescale of aerosol particle equilibration with respect to water vapor have been investigated for some model systems of atmospheric aerosol, e.g. [2,3]. In particular, it has been shown that the kinetics of the water absorption/desorption process is controlled entirely by liquid-phase diffusion of water molecules for a highly viscous aerosol particle. A liquid phase diffusion model based on numerically solving the non-linear diffusion equation predicts strong internal gradients in water concentration when condensed phase diffusion impedes the water uptake from the gas phase [2]. Here we observe and quantify the internal concentration gradients in single, levitated, micron size aerosol particles of aqueous shikimic acid using elastic Mie resonance spectroscopy. A single, aqueous particle is levitated in an electro-dynamic balance (for details see [2]), dried for several days at room temperature, cooled to the target temperature and exposed to a rapid change in relative humidity. In addition to measuring the elastically backscattered light of a "white light" LED source and recording the full spectrum with a spectrograph as in [2], we use a tunable diode laser (TDL) to scan high resolution TE- and TM spectra. This combination allows observing various Mie resonance mode orders simultaneously. Since we perform the experiment at low temperatures and low humidities the changes in the Mie-spectra due to water uptake are sufficiently slow to resolve the kinetics. Experimental Mie resonance spectra are inverted to concentration profiles of water within the particle by applying the numerical diffusion model [2] in conjunction with Mie calculations of multilayered spheres [4]. [1] A. Virtanen et al. (2010): An amorphous solid state of biogenic secondary organic aerosol particles, Nature 467, 824-827. [2] B. Zobrist et al. (2011): Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys. 13, 3514-3526. [3] D. L. Bones, J. P. Reid, D. M. Lienhard, and U. K. Krieger (2012): Comparing the mechanism of water condensation and evaporation in glassy aerosol, PNAS 109, 11613-11618. [4] O. Peña and U. Pal (2009): Scattering of electromagnetic radiation by a multilayered sphere, Comput. Phys. Commun. 180, 2348-2354.

Model of chiral spin liquids with Abelian and non-Abelian topological phases

DOE PAGES

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio; ...

2017-12-15

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

Model of chiral spin liquids with Abelian and non-Abelian topological phases

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

Chen, Jyong-Hao; Mudry, Christopher; Chamon, Claudio

In this article, we present a two-dimensional lattice model for quantum spin-1/2 for which the low-energy limit is governed by four flavors of strongly interacting Majorana fermions. We study this low-energy effective theory using two alternative approaches. The first consists of a mean-field approximation. The second consists of a random phase approximation (RPA) for the single-particle Green's functions of the Majorana fermions built from their exact forms in a certain one-dimensional limit. The resulting phase diagram consists of two competing chiral phases, one with Abelian and the other with non-Abelian topological order, separated by a continuous phase transition. Remarkably, themore » Majorana fermions propagate in the two-dimensional bulk, as in the Kitaev model for a spin liquid on the honeycomb lattice. We identify the vison fields, which are mobile (they are static in the Kitaev model) domain walls propagating along only one of the two space directions.« less

The applicability of physical optics in the millimetre and sub-millimetre spectral region. Part II: Application to a three-component model of ice cloud and its evaluation against the bulk single-scattering properties of various other aggregate models

NASA Astrophysics Data System (ADS)

Baran, Anthony J.; Ishimoto, Hiroshi; Sourdeval, Odran; Hesse, Evelyn; Harlow, Chawn

2018-02-01

The bulk single-scattering properties of various randomly oriented aggregate ice crystal models are compared and contrasted at a number of frequencies between 89 and 874 GHz. The model ice particles consist of the ten-branched plate aggregate, five-branched plate aggregate, eight-branched hexagonal aggregate, Voronoi ice aggregate, six-branched hollow bullet rosette, hexagonal column of aspect ratio unity, and the ten-branched hexagonal aggregate. The bulk single-scattering properties of the latter two ice particle models have been calculated using the light scattering methods described in Part I, which represent the two most extreme members of an ensemble model of cirrus ice crystals. In Part I, it was shown that the method of physical optics could be combined with the T-matrix at a size parameter of about 18 to compute the bulk integral ice optical properties and the phase function in the microwave to sufficient accuracy to be of practical value. Here, the bulk single-scattering properties predicted by the two ensemble model members and the Voronoi model are shown to generally bound those of all other models at frequencies between 89 and 874 GHz, thus representing a three-component model of ice cloud that can be generally applied to the microwave, rather than using many differing ice particle models. Moreover, the Voronoi model and hollow bullet rosette scatter similarly to each other in the microwave. Furthermore, from the various comparisons, the importance of assumed shapes of the particle size distribution as well as cm-sized ice aggregates is demonstrated.

Effects of molecular and particle scatterings on the model parameter for remote-sensing reflectance.

PubMed

Lee, ZhongPing; Carder, Kendall L; Du, KePing

2004-09-01

For optically deep waters, remote-sensing reflectance (r(rs)) is traditionally expressed as the ratio of the backscattering coefficient (b(b)) to the sum of absorption and backscattering coefficients (a + b(b)) that multiples a model parameter (g, or the so-called f'/Q). Parameter g is further expressed as a function of b(b)/(a + b(b)) (or b(b)/a) to account for its variation that is due to multiple scattering. With such an approach, the same g value will be derived for different a and b(b) values that provide the same ratio. Because g is partially a measure of the angular distribution of upwelling light, and the angular distribution from molecular scattering is quite different from that of particle scattering; g values are expected to vary with different scattering distributions even if the b(b)/a ratios are the same. In this study, after numerically demonstrating the effects of molecular and particle scatterings on the values of g, an innovative r(rs) model is developed. This new model expresses r(rs) in two separate terms: one governed by the phase function of molecular scattering and one governed by the phase function of particle scattering, with a model parameter introduced for each term. In this way the phase function effects from molecular and particle scatterings are explicitly separated and accounted for. This new model provides an analytical tool to understand and quantify the phase-function effects on r(rs), and a platform to calculate r(rs) spectrum quickly and accurately that is required for remote-sensing applications.

Dynamic cross correlation studies of wave particle interactions in ULF phenomena

NASA Technical Reports Server (NTRS)

Mcpherron, R. L.

1979-01-01

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

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.

Tuning structural motifs and alloying of bulk immiscible Mo-Cu bimetallic nanoparticles by gas-phase synthesis

NASA Astrophysics Data System (ADS)

Krishnan, Gopi; Verheijen, Marcel A.; Ten Brink, Gert H.; Palasantzas, George; Kooi, Bart J.

2013-05-01

Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still remains a formidable challenge. Hence, we present here a general methodology for gas phase synthesis of bimetallic NPs with distinctively different structural motifs ranging at a single particle level from a fully mixed alloy to core-shell, to onion (multi-shell), and finally to a Janus/dumbbell, with the same overall particle composition. These concepts are illustrated for Mo-Cu NPs, where the precise control of the bimetallic NPs with various degrees of chemical ordering, including different shapes from spherical to cube, is achieved by tailoring the energy and thermal environment that the NPs experience during their production. The initial state of NP growth, either in the liquid or in the solid state phase, has important implications for the different structural motifs and shapes of synthesized NPs. Finally we demonstrate that we are able to tune the alloying regime, for the otherwise bulk immiscible Mo-Cu, by achieving an increase of the critical size, below which alloying occurs, closely up to an order of magnitude. It is discovered that the critical size of the NP alloy is not only affected by controlled tuning of the alloying temperature but also by the particle shape.Nowadays bimetallic nanoparticles (NPs) have emerged as key materials for important modern applications in nanoplasmonics, catalysis, biodiagnostics, and nanomagnetics. Consequently the control of bimetallic structural motifs with specific shapes provides increasing functionality and selectivity for related applications. However, producing bimetallic NPs with well controlled structural motifs still remains a formidable challenge. Hence, we present here a general methodology for gas phase synthesis of bimetallic NPs with distinctively different structural motifs ranging at a single particle level from a fully mixed alloy to core-shell, to onion (multi-shell), and finally to a Janus/dumbbell, with the same overall particle composition. These concepts are illustrated for Mo-Cu NPs, where the precise control of the bimetallic NPs with various degrees of chemical ordering, including different shapes from spherical to cube, is achieved by tailoring the energy and thermal environment that the NPs experience during their production. The initial state of NP growth, either in the liquid or in the solid state phase, has important implications for the different structural motifs and shapes of synthesized NPs. Finally we demonstrate that we are able to tune the alloying regime, for the otherwise bulk immiscible Mo-Cu, by achieving an increase of the critical size, below which alloying occurs, closely up to an order of magnitude. It is discovered that the critical size of the NP alloy is not only affected by controlled tuning of the alloying temperature but also by the particle shape. Electronic supplementary information (ESI) available: Experimental details including schematics of the gas phase synthesis set up, target arrangement, synthesis condition for various structures, and TEM images of alloy, core-shell and Mo-Cu-Mo onion nanoparticles. See DOI: 10.1039/c3nr00565h

The albedo of particles in reflection nebulae

NASA Technical Reports Server (NTRS)

Rush, W. F.

1974-01-01

The relation between the apparent angular extent of a reflection nebula and the apparent magnitude of its illuminating star was reconsidered under a less restrictive set of assumptions. A computational technique was developed which permits the use of fits to the observed m-log a values to determine the albedo of particles composing reflection nebulae, providing only that a phase function and average optical thickness are assumed. Multiple scattering, anisotropic phase functions, and illumination by the general star field are considered, and the albedo of reflection nebular particles appears to be the same as that for interstellar particles in general. The possibility of continuous fluorescence contributions to the surface brightness is also considered.

Sedimentation of finite-size particles in quiescent and turbulent environments

NASA Astrophysics Data System (ADS)

Brandt, Luca; Fornari, Walter; Picano, Francesco

2015-11-01

Sedimentation of a dispersed solid phase is widely encountered in applications and environmental flows. We present Direct Numerical Simulations of sedimentation in quiescent and turbulent environments using an Immersed Boundary Method to study the behavior of finite-size particles in homogeneous isotropic turbulence. The particle radius is approximately 6 Komlogorov lengthscales, the volume fraction 0.5% and 1% and the density ratio 1.02. The results show that the mean settling velocity is lower in an already turbulent flow than in a quiescent fluid. The reduction with respect to a single particle in quiescent fluid is about 12% in dilute conditions. The probability density function of the particle velocity is almost Gaussian in a turbulent flow, whereas it displays large positive tails in quiescent fluid. These tails are associated to the intermittent fast sedimentation of particle pairs in drafting-kissing-tumbling motions. Using the concept of mean relative velocity we estimate the mean drag coefficient from empirical formulas and show that non stationary effects, related to vortex shedding, explain the increased reduction in mean settling velocity in a turbulent environment. This work was supported by the European Research Council Grant No. ERC-2013- CoG-616186, TRITOS.

Chirality-Controlled Growth of Single-Wall Carbon Nanotubes Using Vapor Phase Epitaxy: Mechanistic Understanding and Scalable Production

DTIC Science & Technology

2016-09-15

controlled synthesis of single-wall carbon nanotubes. Firstly, we have successfully demonstrated a vapor-phase-epitaxy-analogous general strategy for...preselected chirality. Moreover, we carried out systematic investigations of the chirality-dependent growth kinetics and termination mechanism for the... generally believed that the diameters of the nanotubes are determined by the size of the catalytic metal particles. Unfortunately, attempts to control

Phase Transformation of Droplets into Particles and Nucleation in Atmospheric Pressure Discharges

NASA Astrophysics Data System (ADS)

Iqbal, M. M.; Stallard, C. P.; Dowling, D. P.; Turner, M. M.

2013-09-01

We investigate the mechanism of phase transformation of liquid precursor droplets into nano-particulates in an atmospheric pressure discharge (APD). This phase transformation is possible when the solid to a liquid mass ratio of slurry droplet reaches a threshold value. The behaviour of phase transformation of a single slurry droplet of HMDSO is described by developing a numerical model under the saturation condition of evaporation. It is observed from the temporal evolution of inner radius (Ri) of a single slurry droplet that its value approaches zero before the entire shifting of a liquid phase and which explains with an expansion in the crust thickness (Ro - Ri) . The solid traces of nano-particles are observed experimentally on the surface coating depositions because the time for transferring the slurry droplet of HMDSO into solid state is amplified with an increment in the radii of droplets and the entire phase transition occurs within residence time for the nano-sized liquid droplets. The GDE coupled with discharge plasma is numerically solved to describe the mechanism of nucleation of nano-sized particles in APD plasma under similar conditions of the experiment. The growth of nucleation in APD plasma depends on the type of liquid precursor, such as HMDSO, TEOS and water, which is verified with a sharp peak in the nucleation rate and saturation ratio. Science Foundation Ireland under Grant No. 08/SRC/I1411.

Exchange-biased quantum tunnelling in a supramolecular dimer of single-molecule magnets.

PubMed

Wernsdorfer, Wolfgang; Aliaga-Alcalde, Núria; Hendrickson, David N; Christou, George

2002-03-28

Various present and future specialized applications of magnets require monodisperse, small magnetic particles, and the discovery of molecules that can function as nanoscale magnets was an important development in this regard. These molecules act as single-domain magnetic particles that, below their blocking temperature, exhibit magnetization hysteresis, a classical property of macroscopic magnets. Such 'single-molecule magnets' (SMMs) straddle the interface between classical and quantum mechanical behaviour because they also display quantum tunnelling of magnetization and quantum phase interference. Quantum tunnelling of magnetization can be advantageous for some potential applications of SMMs, for example, in providing the quantum superposition of states required for quantum computing. However, it is a disadvantage in other applications, such as information storage, where it would lead to information loss. Thus it is important to both understand and control the quantum properties of SMMs. Here we report a supramolecular SMM dimer in which antiferromagnetic coupling between the two components results in quantum behaviour different from that of the individual SMMs. Our experimental observations and theoretical analysis suggest a means of tuning the quantum tunnelling of magnetization in SMMs. This system may also prove useful for studying quantum tunnelling of relevance to mesoscopic antiferromagnets.

Attachment of micro- and nano-particles on tipless cantilevers for colloidal probe microscopy.

PubMed

D'Sa, Dexter J; Chan, Hak-Kim; Chrzanowski, Wojciech

2014-07-15

Current colloidal probe preparation techniques face several challenges in the production of functional probes using particles ⩽5 μm. Challenges include: glue encapsulated particles, glue altered particle properties, improper particle or agglomerate attachment, and lengthy procedures. We present a method to rapidly and reproducibly produce functional micro and nano-colloidal probes. Using a six-step procedure, cantilevers mounted on a custom designed 45° holder were used to approach and obtain a minimal amount of epoxy resin (viscosity of ∼14,000 cP) followed by a single micron/nano particle on the apex of a tipless cantilever. The epoxy and particles were prepared on individual glass slides and subsequently affixed to a 10× or 40× optical microscope lens using another custom designed holder. Scanning electron microscopy and comparative glue-colloidal probe measurements were used to confirm colloidal probe functionality. The method presented allowed rapid and reproducible production of functional colloidal probes (80% success). Single nano-particles were prominently affixed to the apex of the cantilever, unaffected by the epoxy. Nano-colloidal probes were used to conduct topographical, instantaneous force, and adhesive force mapping measurements in dry and liquid media conveying their versatility and functionality in studying nano-colloidal systems. Copyright © 2014 Elsevier Inc. All rights reserved.

Green-Kubo relation for viscosity tested using experimental data for a two-dimensional dusty plasma

NASA Astrophysics Data System (ADS)

Feng, Yan; Goree, J.; Liu, Bin; Cohen, E. G. D.

2011-10-01

The theoretical Green-Kubo relation for viscosity is tested using experimentally obtained data. In a dusty plasma experiment, micron-sized dust particles are introduced into a partially ionized argon plasma, where they become negatively charged. They are electrically levitated to form a single-layer Wigner crystal, which is subsequently melted using laser heating. In the liquid phase, these dust particles experience interparticle electric repulsion, laser heating, and friction from the ambient neutral argon gas, and they can be considered to be in a nonequilibrium steady state. Direct measurements of the positions and velocities of individual dust particles are then used to obtain a time series for an off-diagonal element of the stress tensor and its time autocorrelation function. This calculation also requires the interparticle potential, which was not measured experimentally but was obtained using a Debye-Hückel-type model with experimentally determined parameters. Integrating the autocorrelation function over time yields the viscosity for shearing motion among dust particles. The viscosity so obtained is found to agree with results from a previous experiment using a hydrodynamical Navier-Stokes equation. This comparison serves as a test of the Green-Kubo relation for viscosity. Our result is also compared to the predictions of several simulations.

Studies in Three Phase Gas-Liquid Fluidised Systems

NASA Astrophysics Data System (ADS)

Awofisayo, Joyce Ololade

1992-01-01

Available from UMI in association with The British Library. The work is a logical continuation of research started at Aston some years ago when studies were conducted on fermentations in bubble columns. The present work highlights typical design and operating problems that could arise in such systems as waste water, chemical, biochemical and petroleum operations involving three-phase, gas-liquid -solid fluidisation; such systems are in increasing use. It is believed that this is one of few studies concerned with "true" three-phase, gas-liquid-solid fluidised systems, and that this work will contribute significantly to closing some of the gaps in knowledge in this area. The research work was experimentally based and involved studies of the hydrodynamic parameters, phase holdups (gas and solid), particle mixing and segregation, and phase flow dynamics (flow regime and circulation patterns). The studies have focused particularly on the solid behaviour and the influence of properties of solids present on the above parameters in three-phase, gas-liquid-solid fluidised systems containing single particle components and those containing binary and ternary mixtures of particles. All particles were near spherical in shape and two particle sizes and total concentration levels were used. Experiments were carried out in two- and three-dimensional bubble columns. Quantitative results are presented in graphical form and are supported by qualitative results from visual studies which are also shown as schematic diagrams and in photographic form. Gas and solid holdup results are compared for air-water containing single, binary and ternary component particle mixtures. It should be noted that the criteria for selection of the materials used are very important if true three-phase fluidisation is to be achieved: this is very evident when comparing the results with those in the literature. The fluid flow and circulation patterns observed were assessed for validation of the generally accepted patterns, and the author believes that the present work provides more accurate insight into the modelling of liquid circulation in bubble columns. The characteristic bubbly flow at low gas velocity in a two-phase system is suppressed in the three-phase system. The degree of mixing within the system is found to be dependent on flow regime, liquid circulation and the ratio of solid phase physical properties.

Searching for dark matter with single phase liquid argon

NASA Astrophysics Data System (ADS)

Caldwell, Thomas S., Jr.

The first hint that we fail to understand the nature of a large fraction of the gravitating matter in the universe came from Fritz Zwicky's measurements of the velocity distribution of the Coma cluster in 1933. Using the Virial theorem, Zwicky found that galaxies in the cluster were orbiting far too fast to remain gravitationally bound when their mass was estimated by the brightness of the visible matter. This led to the postulation that some form of non-luminous dark matter is present in galaxies comprising a large fraction of the galactic mass. The nature of this dark matter remains yet unknown over 80 years after Zwicky's measurements despite the efforts of many experiments. Dark matter is widely believed to be a beyond the Standard Model particle which brings the dark matter problem into the realm of particle physics. Supersymmetry is one widely explored extension of the Standard model, from which particles meeting the constraints on dark matter properties can naturally arise. These particles are generically termed weakly interacting massive particles (WIMPs), and are a currently favored dark matter candidate. A variety of experimental efforts are underway aimed towards direct detection of dark matter through observation of rare scattering of WIMPs in terrestrial detectors. Single phase liquid argon detectors are an appealing WIMP detection technique due to the scintillation properties of liquid argon and the scalability of the single phase approach. The MiniCLEAN dark matter detector is a single phase liquid argon scintillation scintillation detector with a 500 kg active mass. The modular design offers 4pi coverage with 92 optical cassettes, each containing TPB coated acrylic and a cryogenic photomultiplier tube. The MiniCLEAN detector has recently completed construction at SNOLAB. The detector is currently being commissioned, and will soon begin operation with the liquid argon target. Utilizing advanced pulse-shape discrimination techniques, MiniCLEAN will probe the WIMP-nucleon cross section parameter space to the level of 10--44 cm2 and demonstrate the pulse-shape discrimination required for next generation experiments capable of further probing the WIMP parameter space in search of WIMP dark matter.

Disordered Kitaev chains with long-range pairing.

PubMed

Cai, Xiaoming

2017-03-22

We study the competition of disorder and superconductivity for a generalized Kitaev model in incommensurate potentials. The generalized Kitaev model describes one dimensional spinless fermions with long-range p-wave superconducting pairing, which decays with distance l as a power law  ∼[Formula: see text]. We focus on the transition from the topological superconducting phase to the topologically trivial Anderson localized phase, and effects of the exponent α on this phase transition. In the topological superconducting phase, for a system under open boundary condition the amplitude of zero-mode Majorana fermion has a hybrid exponential-algebraic decay as the distance increases from the edge. In the Anderson localized phase, some single-particle states remain critical for very strong disorders and the number of critical states increases as α decreases. In addition, except for critical disorders, the correlation function always has an exponential decay at the short range and an algebraic decay at the long range. Phase transition points are also numerically determined and the topological phase transition happens earlier at a smaller disorder strength for a system with smaller α.

Magnetic filtration of phase separating ferrofluids: From basic concepts to microfluidic device

NASA Astrophysics Data System (ADS)

Kuzhir, P.; Magnet, C.; Ezzaier, H.; Zubarev, A.; Bossis, G.

2017-06-01

In this work, we briefly review magnetic separation of ferrofluids composed of large magnetic particles (60 nm of the average size) possessing an induced dipole moment. Such ferrofluids exhibit field-induced phase separation at relatively low particle concentrations (∼0.8 vol%) and magnetic fields (∼10 kA/m). Particle aggregates appearing during the phase separation are extracted from the suspending fluid by magnetic field gradients much easier than individual nanoparticles in the absence of phase separation. Nanoparticle capture by a single magnetized microbead and by multi-collector systems (packed bed of spheres and micro-pillar array) has been studied both experimentally and theoretically. Under flow and magnetic fields, the particle capture efficiency Λ decreases with an increasing Mason number for all considered geometries. This decrease may become stronger for aggregated magnetic particles (Λ ∝Ma-1.7) than for individual ones (Λ ∝Ma-1) if the shear fields are strong enough to provoke aggregate rupture. These results can be useful for development of new magneto-microfluidic immunoassays based on magnetic nanoparticles offering a much better sensitivity as compared to presently used magnetic microbeads.

Bose-Einstein correlations: A study of an invariance group

NASA Astrophysics Data System (ADS)

Bialas, A.; Zalewski, K.

2005-08-01

A group of transformations changing the phases of the elements of the single-particle density matrix, but leaving unchanged the predictions for identical particles concerning the momentum distributions, momentum correlations etc., is identified. Its implications for the determinations of the interaction regions from studies of Bose-Einstein correlations are discussed.

Edwin Mattison McMillan - Patents

Science.gov Websites

APPARATUS FOR ACCELERATING TO HIGH ENERGY ELECTRICALLY CHARGED PARTICLES - McMillan, E. M.; January 6, 1953 single phased systems heretofore utilized. US 2,933,442 ELECTRONUCLEAR REACTOR - McMillan, E. M reactor is described in which a very high-energy particle accelerator is employed with appropriate target

Superfluid density of states and pseudogap phenomenon in the BCS-BEC crossover regime of a superfluid Fermi gas

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

Watanabe, Ryota; Tsuchiya, Shunji; CREST

2010-10-15

We investigate single-particle excitations and strong-coupling effects in the BCS-BEC crossover regime of a superfluid Fermi gas. Including phase and amplitude fluctuations of the superfluid order parameter within a T-matrix theory, we calculate the superfluid density of states (DOS), as well as single-particle spectral weight, over the entire BCS-BEC crossover region below the superfluid transition temperature T{sub c}. We clarify how the pseudogap in the normal state evolves into the superfluid gap, as one passes through T{sub c}. While the pseudogap in DOS continuously evolves into the superfluid gap in the weak-coupling BCS regime, the superfluid gap in the crossovermore » region is shown to appear in DOS after the pseudogap disappears below T{sub c}. In the phase diagram with respect to the temperature and interaction strength, we determine the region where strong pairing fluctuations dominate over single-particle properties of the system. Our results would be useful for the study of strong-coupling phenomena in the BCS-BEC crossover regime of a superfluid Fermi gas.« less

Equivalence between three scattering formulations for ultrasonic wave propagation in particulate mixtures

NASA Astrophysics Data System (ADS)

Challis, R. E.; Tebbutt, J. S.; Holmes, A. K.

1998-12-01

The aim of this paper is to present a unified approach to the calculation of the complex wavenumber for a randomly distributed ensemble of homogeneous isotropic spheres suspended in a homogeneous isotropic continuum. Three classical formulations of the diffraction problem for a compression wave incident on a single particle are reviewed; the first is for liquid particles in a liquid continuum (Epstein and Carhart), the second for solid or liquid particles in a liquid continuum (Allegra and Hawley), and the third for solid particles in a solid continuum (Ying and Truell). Equivalences between these formulations are demonstrated and it is shown that the Allegra and Hawley formulation can be adapted to provide a basis for calculation in all three regimes. The complex wavenumber that results from an ensemble of such scatterers is treated using the formulations of Foldy (simple forward scattering), Waterman and Truell, and Lloyd and Berry (multiple scattering). The analysis is extended to provide an approximation for the case of a distribution of particle sizes in the mixture. A number of experimental measurements using a broadband spectrometric technique (reported elsewhere) to obtain the attenuation coefficient and phase velocity as functions of frequency are presented for various mixtures of differing contrasts in physical properties between phases in order to provide a comparison with theory. The materials used were aqueous suspensions of polystyrene spheres, silica spheres, iron spheres, 0022-3727/31/24/012/img1 pigment (AHR), droplets of 1-bromohexadecane, and a suspension of talc particles in a cured epoxy resin.

Structure of Particle Networks in Capillary Suspensions with Wetting and Nonwetting Fluids

PubMed Central

2016-01-01

The mechanical properties of a suspension can be dramatically altered by adding a small amount of a secondary fluid that is immiscible with the bulk phase. The substantial changes in the strength of these capillary suspensions arise due to the capillary force inducing a percolating particle network. Spatial information on the structure of the particle networks is obtained using confocal microscopy. It is possible, for the first time, to visualize the different types of percolating structures of capillary suspensions in situ. These capillary networks are unique from other types of particulate networks due to the nature of the capillary attraction. We investigate the influence of the three-phase contact angle on the structure of an oil-based capillary suspension with silica microspheres. Contact angles smaller than 90° lead to pendular networks of particles connected with single capillary bridges or clusters comparable to the funicular state in wet granular matter, whereas a different clustered structure, the capillary state, forms for angles larger than 90°. Particle pair distribution functions are obtained by image analysis, which demonstrate differences in the network microstructures. When porous particles are used, the pendular conformation also appears for apparent contact angles larger than 90°. The complex shear modulus can be correlated to these microstructural changes. When the percolating structure is formed, the complex shear modulus increases by nearly three decades. Pendular bridges lead to stronger networks than the capillary state network conformations, but the capillary state clusters are nevertheless much stronger than pure suspensions without the added liquid. PMID:26807651

Comparison of morphology and phase composition of hydroxyapatite nanoparticles sonochemically synthesized with dual- or single-frequency ultrasonic reactor

NASA Astrophysics Data System (ADS)

Deng, Shi-ting; Yu, Hong; Liu, Di; Bi, Yong-guang

2017-10-01

To investigate how a dual- or single-frequency ultrasonic reactor changes the morphology and phase composition of hydroxyapatite nanoparticles (nHAPs), we designed and constructed the preparation of nHAPs using dual- or single-frequency ultrasonic devices, i.e., the single frequency ultrasonic generator with ultrasonic horn (25 kHz), the ultrasonic bath (40 kHz) and the dual-frequency sonochemical systems combined with the ultrasonic horn and the ultrasonic bath simultaneously (25 + 40 kHz). The results showed that the sonicated samples displayed a more uniform shape with less agglomeration than non-sonicated sample. The rod-shaped particles with 1.66 stoichiometry and without a second phase were synthesized successfully in the ultrasonic bath or horn systems. The nHAPs obtained from the dual-frequency ultrasonic systems exhibited a regular rod-shaped structure with better dispersion and more uniform shapes than those of obtained in either ultrasonic bath or horn systems. Additionally, the size of rod-shaped particles obtained in the dual-frequency ultrasound with a mean width of 35 nm and a mean length of 64 nm was smaller than other samples. A possible mechanism is that the dual-frequency ultrasound significantly enhances the cavitation yield over single frequency ultrasound and thus improves the dispersion of particles and reduces the size of the crystals. In addition, irregular holes can be observed in the nanoparticles obtained in the dual-frequency ultrasound. Therefore, the dual-frequency ultrasonic systems are expected to become a convenient, efficient and environmentally friendly synthetic technology to obtain well-defined nHAPs for specific biomedical applications.

Laminar flow effects in the coil planet centrifuge

NASA Technical Reports Server (NTRS)

Herrmann, F. T.

1984-01-01

The coil planet centrifuge designed by Ito employs flow of a single liquid phase, through a rotating coiled tube in a centrifugal force field, to provide a separation of particles based on sedimentation rates. Mathematical solutions are derived for the linear differential equations governing particle behavior in the coil planet centrifuge device. These solutions are then applied as the basis of a model for optimizing particle separations.

Aging induced changes on NEXAFS fingerprints in individual combustion particles

NASA Astrophysics Data System (ADS)

Zelenay, V.; Mooser, R.; Tritscher, T.; Křepelová, A.; Heringa, M. F.; Chirico, R.; Prévôt, A. S. H.; Weingartner, E.; Baltensperger, U.; Dommen, J.; Watts, B.; Raabe, J.; Huthwelker, T.; Ammann, M.

2011-11-01

Soot particles can significantly influence the Earth's climate by absorbing and scattering solar radiation as well as by acting as cloud condensation nuclei. However, despite their environmental (as well as economic and political) importance, the way these properties are affected by atmospheric processing of the combustion exhaust gases is still a subject of discussion. In this work, individual soot particles emitted from two different vehicles, a EURO 2 transporter, a EURO 3 passenger car, and a wood stove were investigated on a single-particle basis. The emitted exhaust, including the particulate and the gas phase, was processed in a smog chamber with artificial solar radiation. Single particle specimens of both unprocessed and aged soot were characterized using near edge X-ray absorption fine structure spectroscopy (NEXAFS) and scanning electron microscopy. Comparison of NEXAFS spectra from the unprocessed particles and those resulting from exhaust photooxidation in the chamber revealed changes in the carbon functional group content. For the wood stove emissions, these changes were minor, related to the relatively mild oxidation conditions. For the EURO 2 transporter emissions, the most apparent change was that of carboxylic carbon from oxidized organic compounds condensing on the primary soot particles. For the EURO 3 car emissions oxidation of primary soot particles upon photochemical aging has likely contributed as well. Overall, the changes in the NEXAFS fingerprints were in qualitative agreement with data from an aerosol mass spectrometer. Furthermore, by taking full advantage of our in situ microreactor concept, we show that the soot particles from all three combustion sources changed their ability to take up water under humid conditions upon photochemical aging of the exhaust. Due to the selectivity and sensitivity of the NEXAFS technique for the water mass, also small amounts of water taken up into the internal voids of agglomerated particles could be detected. Because such small amounts of water uptake do not lead to measurable changes in particle diameter, it may remain beyond the limits of volume growth measurements, especially for larger agglomerated particles.

Chiral self-assembly of helical particles.

PubMed

Kolli, Hima Bindu; Cinacchi, Giorgio; Ferrarini, Alberta; Giacometti, Achille

2016-01-01

The shape of the building blocks plays a crucial role in directing self-assembly towards desired architectures. Out of the many different shapes, the helix has a unique position. Helical structures are ubiquitous in nature and a helical shape is exhibited by the most important biopolymers like polynucleotides, polypeptides and polysaccharides as well as by cellular organelles like flagella. Helical particles can self-assemble into chiral superstructures, which may have a variety of applications, e.g. as photonic (meta)materials. However, a clear and definite understanding of these structures has not been entirely achieved yet. We have recently undertaken an extensive investigation on the phase behaviour of hard helical particles, using numerical simulations and classical density functional theory. Here we present a detailed study of the phase diagram of hard helices as a function of their morphology. This includes a variety of liquid-crystal phases, with different degrees of orientational and positional ordering. We show how, by tuning the helix parameters, it is possible to control the organization of the system. Starting from slender helices, whose phase behaviour is similar to that of rodlike particles, an increase in curliness leads to the onset of azimuthal correlations between the particles and the formation of phases specific to helices. These phases feature a new kind of screw order, of which there is experimental evidence in colloidal suspensions of helical flagella.

In-situ measurements of scattering phase functions of stratospheric aerosol particles in Alaska during July 1979

NASA Technical Reports Server (NTRS)

Grams, G. W.

1981-01-01

A laser nephelometer developed for airborne measurements of polar scattering diagrams of atmospheric aerosols was flown on the NCAR Sabreliner aircraft to obtain data on light-scattering parameters for stratospheric aerosol particles over Alaska during July 1979. Observed values of the angular variation of scattered-light intensity were compared with those calculated for different values of the asymmetry parameter g in the Henyey-Greenstein phase function. The observations indicate that, for the time and location of the experiments, the Henyey-Greenstein phase function could be used to calculate polar scattering diagrams to within experimental errors for an asymmetry parameter value of 0.49 plus or minus 0.07.

Diffusive processes in a stochastic magnetic field

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

Wang, H.; Vlad, M.; Vanden Eijnden, E.

1995-05-01

The statistical representation of a fluctuating (stochastic) magnetic field configuration is studied in detail. The Eulerian correlation functions of the magnetic field are determined, taking into account all geometrical constraints: these objects form a nondiagonal matrix. The Lagrangian correlations, within the reasonable Corrsin approximation, are reduced to a single scalar function, determined by an integral equation. The mean square perpendicular deviation of a geometrical point moving along a perturbed field line is determined by a nonlinear second-order differential equation. The separation of neighboring field lines in a stochastic magnetic field is studied. We find exponentiation lengths of both signs describing,more » in particular, a decay (on the average) of any initial anisotropy. The vanishing sum of these exponentiation lengths ensures the existence of an invariant which was overlooked in previous works. Next, the separation of a particle`s trajectory from the magnetic field line to which it was initially attached is studied by a similar method. Here too an initial phase of exponential separation appears. Assuming the existence of a final diffusive phase, anomalous diffusion coefficients are found for both weakly and strongly collisional limits. The latter is identical to the well known Rechester-Rosenbluth coefficient, which is obtained here by a more quantitative (though not entirely deductive) treatment than in earlier works.« less

Double-slit experiment with single wave-driven particles and its relation to quantum mechanics.

PubMed

Andersen, Anders; Madsen, Jacob; Reichelt, Christian; Rosenlund Ahl, Sonja; Lautrup, Benny; Ellegaard, Clive; Levinsen, Mogens T; Bohr, Tomas

2015-07-01

In a thought-provoking paper, Couder and Fort [Phys. Rev. Lett. 97, 154101 (2006)] describe a version of the famous double-slit experiment performed with droplets bouncing on a vertically vibrated fluid surface. In the experiment, an interference pattern in the single-particle statistics is found even though it is possible to determine unambiguously which slit the walking droplet passes. Here we argue, however, that the single-particle statistics in such an experiment will be fundamentally different from the single-particle statistics of quantum mechanics. Quantum mechanical interference takes place between different classical paths with precise amplitude and phase relations. In the double-slit experiment with walking droplets, these relations are lost since one of the paths is singled out by the droplet. To support our conclusions, we have carried out our own double-slit experiment, and our results, in particular the long and variable slit passage times of the droplets, cast strong doubt on the feasibility of the interference claimed by Couder and Fort. To understand theoretically the limitations of wave-driven particle systems as analogs to quantum mechanics, we introduce a Schrödinger equation with a source term originating from a localized particle that generates a wave while being simultaneously guided by it. We show that the ensuing particle-wave dynamics can capture some characteristics of quantum mechanics such as orbital quantization. However, the particle-wave dynamics can not reproduce quantum mechanics in general, and we show that the single-particle statistics for our model in a double-slit experiment with an additional splitter plate differs qualitatively from that of quantum mechanics.

Types, Sizes, Shapes and Distributions of Mars Ice and Dust Aerosols from the MGS TES Emission Phase Function Observations

NASA Astrophysics Data System (ADS)

Clancy, R. T.; Wolff, M. J.; Christensen, P. R.

2001-12-01

A full Mars year (1999-2001) of emission phase function (EPF observations from Mars Global Surveyor (MGS) Thermal Emission Spectrometer (TES) provide the most complete study of Mars dust and ice aerosol properties to date. TES visible (solar band average) and infrared spectral (6-30 micron, 10 invcm res) EPF sequences are analyzed self-consistently with detailed multiple scattering radiative transfer (RT) codes to obtain first-time seasonal/latitudinal distributions of aerosol visible optical depths, particle sizes, and single scattering phase functions. As a consequence of the combined angular and wavelength coverage, we are able to define two distinct ice cloud types at 45S-45N latitudes on Mars. Type 1 ice clouds exhibit small particle sizes (1-2 micron radii), as well as a broad, deep minimum in side scattering indicative of aligned ice grains (see Wolff et al., 2001). Type 1 ice aerosols are most prevalent in the southern hemisphere during Mars aphelion, but also appear more widely distributed in season and latitude as topographic and high altitude (above 20 km) ice hazes. Type 2 ice clouds exhibit larger particle sizes (2-4 microns) and a much narrower side-scattering minimum, indicative of poorer grain alignment or a change in particle shape relative to the type 1 ice clouds (see Wolff et al., 2001). Type 2 ice clouds appear most prominently in the northern subtropical aphelion cloud belt, where relatively low altitudes of water vapor saturation (10 km) coincide with strong advective transport (Clancy et al., 1996). Retrieved dust particle radii of 1.5-1.8 micron are consistent with Pathfinder (Tomasko et al., 1999) and recent Viking/Mariner 9 reanalyses (e.g., size distribution B of Clancy et al., 1995). Detailed spectral modeling of the solar passband also implies agreement of EPF-derived dust single scattering albedos (ssa) with the ssa results from Tomasko et al.(table 8 therein). Spatial and seasonal changes in the dust ssa (0.92-0.95, solar band average) and phase functions suggest possible dust property variations, but may also be a consequence of variable high altitude ice hazes. The annual variations of both dust and ice clouds at 45S-45N latitudes are predominately orbital rather than seasonal in character and have shown close repeatability during the portions of first two Mars years observed by MGS (i.e., prior to the July 2001 global dust storm which began at Ls=185, a most striking departure from the previous two Mars years observed). Minimum visible dust opacities of 0.05-0.10 occur at southern latitudes in aphelion, maximum dust opacities of 1.0-1.5 at northern latitudes after Ls=200 (and greater than 3 in the 2001 global dust storm). Type 2 ice clouds abruptly disappear at Ls=145, as does the widespread occurrence of type 1 clouds in the southern hemisphere. Dust loading in the southern hemisphere increases at this time, but does not do so in the northern hemisphere. A comparison of dust solar band to thermal infrared optical depth ratios also provides strong evidence for non-uniform vertical mixing of the dust loading. A large fraction of the dust column (20-50 percent) appears to be concentrated in the lower boundary layer of the Mars atmosphere, particularly during conditions of low-to-moderate dust loading.

Phase diagram of a symmetric electron–hole bilayer system: a variational Monte Carlo study

NASA Astrophysics Data System (ADS)

Sharma, Rajesh O.; Saini, L. K.; Prasad Bahuguna, Bhagwati

2018-05-01

We study the phase diagram of a symmetric electron–hole bilayer system at absolute zero temperature and in zero magnetic field within the quantum Monte Carlo approach. In particular, we conduct variational Monte Carlo simulations for various phases, i.e. the paramagnetic fluid phase, the ferromagnetic fluid phase, the anti-ferromagnetic Wigner crystal phase, the ferromagnetic Wigner crystal phase and the excitonic phase, to estimate the ground-state energy at different values of in-layer density and inter-layer spacing. Slater–Jastrow style trial wave functions, with single-particle orbitals appropriate for different phases, are used to construct the phase diagram in the (r s , d) plane by finding the relative stability of trial wave functions. At very small layer separations, we find that the fluid phases are stable, with the paramagnetic fluid phase being particularly stable at and the ferromagnetic fluid phase being particularly stable at . As the layer spacing increases, we first find that there is a phase transition from the ferromagnetic fluid phase to the ferromagnetic Wigner crystal phase when d reaches 0.4 a.u. at r s   =  20, and before there is a return to the ferromagnetic fluid phase when d approaches 1 a.u. However, for r s   <  20 and a.u., the excitonic phase is found to be stable. We do not find that the anti-ferromagnetic Wigner crystal is stable over the considered range of r s and d. We also find that as r s increases, the critical layer separations for Wigner crystallization increase.

Microstructure and mechanical properties of a single crystal NiAl alloy with Zr or Hf rich G-phase precipitates

NASA Technical Reports Server (NTRS)

Locci, I. E.; Noebe, R. D.; Bowman, R. R.; Miner, R. V.; Nathal, M. V.; Darolia, R.

1991-01-01

The possibility of producing NiAl reinforced with the G-phase (Ni16X6Si7), where X is Zr or Hf, has been investigated. The microstructure of these NiAl alloys have been characterized in the as-cast and annealed conditions. The G-phases are present as fine cuboidal precipitates (10 to 40 nm) and have lattice parameters almost four times that of NiAl. They are coherent with the matrix and fairly resistant to coarsening during annealing heat treatments. Segregation and nonuniform precipitate distribution observed in as-cast materials were eliminated by homogenization at temperatures near 1600 K. Slow cooling from these temperatures resulted in large plate shaped precipitates, denuded zones, and a loss of coherency in some of the large particles. Faster cooling produced a homogeneous fine distribution of cuboidal G-phase particles in the matrix. Preliminary mechanical properties for the Zr-doped alloy are presented and compared to binary single crystal NiAl. The presence of these precipitates appears to have an important strengthening effect at temperatures not less than 1000 K compared to binary NiAl single crystals.

Biodegradable polymeric microsphere-based vaccines and their applications in infectious diseases.

PubMed

Lin, Chi-Ying; Lin, Shih-Jie; Yang, Yi-Chen; Wang, Der-Yuan; Cheng, Hwei-Fang; Yeh, Ming-Kung

2015-01-01

Vaccination, which provides effective, safe infectious disease protection, is among the most important recent public health and immunological achievements. However, infectious disease remains the leading cause of death in developing countries because several vaccines require repeated administrations and children are often incompletely immunized. Microsphere-based systems, providing controlled release delivery, can obviate the need for repeat immunizations. Here, we review the function of sustained and pulsatile release of biodegradable polymeric microspheres in parenteral and mucosal single-dose vaccine administration. We also review the active-targeting function of polymeric particles. With their shield and co-delivery functions, polymeric particles are applied to develop single-dose and mucosally administered vaccines as well as to improve subunit vaccines. Because polymeric particles are easily surface-modified, they have been recently used in vaccine development for cancers and many infectious diseases without effective vaccines (e.g., human immunodeficiency virus infection). These polymeric particle functions yield important vaccine carriers and multiple benefits.

Photometric properties of Ceres from telescopic observations using Dawn Framing Camera color filters

NASA Astrophysics Data System (ADS)

Reddy, Vishnu; Li, Jian-Yang; Gary, Bruce L.; Sanchez, Juan A.; Stephens, Robert D.; Megna, Ralph; Coley, Daniel; Nathues, Andreas; Le Corre, Lucille; Hoffmann, Martin

2015-11-01

The dwarf planet Ceres is likely differentiated similar to the terrestrial planets but with a water/ice dominated mantle and an aqueously altered crust. Detailed modeling of Ceres' phase function has never been performed to understand its surface properties. The Dawn spacecraft began orbital science operations at the dwarf planet in April 2015. We observed Ceres with flight spares of the seven Dawn Framing Camera color filters mounted on ground-based telescopes over the course of three years to model its phase function versus wavelength. Our analysis shows that the modeled geometric albedos derived from both the IAU HG model and the Hapke model are consistent with a flat and featureless spectrum of Ceres, although the values are ∼10% higher than previous measurements. Our models also suggest a wavelength dependence of Ceres' phase function. The IAU G-parameter and the Hapke single-particle phase function parameter, g, are both consistent with decreasing (shallower) phase slope with increasing wavelength. Such a wavelength dependence of phase function is consistent with reddening of spectral slope with increasing phase angle, or phase-reddening. This phase reddening is consistent with previous spectra of Ceres obtained at various phase angles archived in the literature, and consistent with the fact that the modeled geometric albedo spectrum of Ceres is the bluest of all spectra because it represents the spectrum at 0° phase angle. Ground-based FC color filter lightcurve data are consistent with HST albedo maps confirming that Ceres' lightcurve is dominated by albedo and not shape. We detected a positive correlation between 1.1-μm absorption band depth and geometric albedo suggesting brighter areas on Ceres have absorption bands that are deeper. We did not see the "extreme" slope values measured by Perna et al. (Perna, D., et al. [2015]. Astron. Astrophys. 575 (L1-6)), which they have attributed to "resurfacing episodes" on Ceres.

Proceedings of the 12th Army Symposium on Solid Mechanics, ’Synergism of Mechanics Mathematics and Materials’ 4-7 November 1991, Plymouth, Massachusetts.

DTIC Science & Technology

1991-11-07

proposed that a phase transformation to untempered martensite (via austenite) occurred within the shear band [9]. Wittman et al used TEM observations to...porous materials is used to simulate the plate impact experiment. 1. Introduction While second phase precipitates or particles greatly enhance the...34Dispersed Particle Hard- ening of Aluminum- Copper Alloy Single Crystals", Acta Metall., Vol. 8, March, pp. 147-155. [2] Meiklejohn, W. H. and Skoda

On the shape of martian dust and water ice aerosols

NASA Astrophysics Data System (ADS)

Pitman, K. M.; Wolff, M. J.; Clancy, R. T.; Clayton, G. C.

2000-10-01

Researchers have often calculated radiative properties of Martian aerosols using either Mie theory for homogeneous spheres or semi-empirical theories. Given that these atmospheric particles are randomly oriented, this approach seems fairly reasonable. However, the idea that randomly oriented nonspherical particles have scattering properties equivalent to even a select subset of spheres is demonstratably false} (Bohren and Huffman 1983; Bohren and Koh 1985, Appl. Optics, 24, 1023). Fortunately, recent computational developments now enable us to directly compute scattering properties for nonspherical particles. 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 to constrain the shape of water ice and dust aerosols. We utilize a two-stage iterative process. First, we empirically derive a scattering phase function for each aerosol component (starting with some ``guess'') from radiative transfer models of MGS Thermal Emission Spectrometer Emission Phase Function (EPF) sequences (for details on this step, see Clancy et al., DPS 2000). Next, we perform a series of scattering calculations, adjusting our parameters to arrive at a ``best-fit'' theoretical phase function. In this presentation, we provide details on the second step in our analysis, including the derived phase functions (for several characteristic EPF sequences) as well as the particle properties of the best-fit theoretical models. We provide a sensitivity analysis for the EPF model-data comparisons in terms of perturbations in the particle properties (i.e., range of axial ratios, sizes, refractive indices, etc). This work is supported through NASA grant NAGS-9820 (MJW) and JPL contract no. 961471 (RTC).

Optical properties of non-spherical desert dust particles in the terrestrial infrared - An asymptotic approximation approach

NASA Astrophysics Data System (ADS)

Klüser, Lars; Di Biagio, Claudia; Kleiber, Paul D.; Formenti, Paola; Grassian, Vicki H.

2016-07-01

Optical properties (extinction efficiency, single scattering albedo, asymmetry parameter and scattering phase function) of five different desert dust minerals have been calculated with an asymptotic approximation approach (AAA) for non-spherical particles. The AAA method combines Rayleigh-limit approximations with an asymptotic geometric optics solution in a simple and straightforward formulation. The simulated extinction spectra have been compared with classical Lorenz-Mie calculations as well as with laboratory measurements of dust extinction. This comparison has been done for single minerals and with bulk dust samples collected from desert environments. It is shown that the non-spherical asymptotic approximation improves the spectral extinction pattern, including position of the extinction peaks, compared to the Lorenz-Mie calculations for spherical particles. Squared correlation coefficients from the asymptotic approach range from 0.84 to 0.96 for the mineral components whereas the corresponding numbers for Lorenz-Mie simulations range from 0.54 to 0.85. Moreover the blue shift typically found in Lorenz-Mie results is not present in the AAA simulations. The comparison of spectra simulated with the AAA for different shape assumptions suggests that the differences mainly stem from the assumption of the particle shape and not from the formulation of the method itself. It has been shown that the choice of particle shape strongly impacts the quality of the simulations. Additionally, the comparison of simulated extinction spectra with bulk dust measurements indicates that within airborne dust the composition may be inhomogeneous over the range of dust particle sizes, making the calculation of reliable radiative properties of desert dust even more complex.

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

How temperature determines formation of maghemite nanoparticles

NASA Astrophysics Data System (ADS)

Girod, Matthias; Vogel, Stefanie; Szczerba, Wojciech; Thünemann, Andreas F.

2015-04-01

We report on the formation of polymer-stabilized superparamagnetic single-core and multi-core maghemite nanoparticles. The particle formation was carried out by coprecipitation of Fe(II) and Fe(III) sulfate in a continuous aqueous process using a micromixer system. Aggregates containing 50 primary particles with sizes of 2 nm were formed at a reaction temperature of 30 °C. These particles aggregated further with time and were not stable. In contrast, stable single-core particles with a diameter of 7 nm were formed at 80 °C as revealed by small-angle X-ray scattering (SAXS) coupled in-line with the micromixer for particle characterization. X-ray diffraction and TEM confirmed the SAXS results. X-ray absorption near-edge structure spectroscopy (XANES) identified the iron oxide phase as maghemite.

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.

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.

Phase Behavior of Patchy Spheroidal Fluids.

NASA Astrophysics Data System (ADS)

Carpency, Thienbao

We employ Gibbs-ensemble Monte Carlo computer simulation to assess the impact of shape anisotropy and particle interaction anisotropy on the phase behavior of a colloidal (or, by extension, protein) fluid comprising patchy ellipsoidal particles, with an emphasis on critical behavior. More specifically, we obtain the fluid-fluid equilibrium phase diagram of hard prolate ellipsoids having Kern-Frenkel surface patches under a variety of conditions and study the critical behavior of these fluids as a function of particle shape parameters. It is found that the dependence of the critical temperature on aspect ratio for particles having the same volume can be described approximately in terms of patch solid angles. In addition, ordering in the fluid that is associated with particle elongation is also found to be an important factor in dictating phase behavior. The G. Harold & Leila Y. Mathers Foundation.

Deliquescence behavior of photo-irradiated single NaNO3 droplets

NASA Astrophysics Data System (ADS)

Seng, Samantha; Guo, Fangqin; Tobon, Yeny A.; Ishikawa, Tomoki; Moreau, Myriam; Ishizaka, Shoji; Sobanska, Sophie

2018-06-01

Nitrate-containing particles are ubiquitous in the troposphere because of their secondary production due to anthropogenic emissions of NOx from the combustion of fossil fuels. Nitrate ions are recognized as photoactive species that may contribute to the formation of oxidants in the atmosphere through heterogeneous photochemical reactions. The chemical transformation of aerosol particles in the atmosphere often leads to modification of the particles' hygroscopic properties. Although the photo-transformation of nitrate ions into nitrite within aerosol particles has been investigated, the influence of the photoproducts formation on the hygroscopic behavior of particles has not been reported. In this study, we examined the hygroscopic properties of single, ultraviolet-irradiated NaNO3 droplets using Raman microspectrometry. We are the first demonstrated that irradiating NaNO3 particles affects their hygroscopic behavior. For short-term exposures, regarding hygroscopic behavior, the irradiated particles exhibited two-stage transitions that were clearly reproduced in the experimental NaNO3-NaNO2 phase diagram. The production of NO2- decreased the deliquescence relative humidity values. For long irradiation times (>5 h), these values are even more affected by the additional production of peroxynitrite and carbonate ions in individual droplets. The NaNO3-NaNO2 deliquescence phase diagram cannot explain the hygroscopic behavior of long-term irradiated particles. Finally, we demonstrated the influence that CO2 has on the photo-transformation process in NaNO3 droplets.

Mechanistic Analysis of Mechano-Electrochemical Interaction in Silicon Electrodes with Surface Film

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

Verma, Ankit; Mukherjee, Partha P.

2017-11-17

High-capacity anode materials for lithium-ion batteries, such as silicon, are prone to large volume change during lithiation/delithiation which may cause particle cracking and disintegration, thereby resulting in severe capacity fade and reduction in cycle life. In this work, a stochastic analysis is presented in order to understand the mechano-electrochemical interaction in silicon active particles along with a surface film during cycling. Amorphous silicon particles exhibiting single-phase lithiation incur lower amount of cracking as compared to crystalline silicon particles exhibiting two-phase lithiation for the same degree of volumetric expansion. Rupture of the brittle surface film is observed for both amorphous andmore » crystalline silicon particles and is attributed to the large volumetric expansion of the silicon active particle with lithiation. The mechanical property of the surface film plays an important role in determining the amount of degradation in the particle/film assembly. A strategy to ameliorate particle cracking in silicon active particles is proposed.« less

Radial inhomogeneities in particle composition of single, levitated aerosol particles observed by Mie resonance spectroscopy (Invited)

NASA Astrophysics Data System (ADS)

Krieger, U. K.; Steimer, S.; Lienhard, D.; Bastelberger, S.

2013-12-01

Recent observations have indicated that organic aerosol particles in the atmosphere may exist in an amorphous semi-solid or even solid (i.e. glassy) state, e.g. [1]. The influence of highly viscous and glassy states on the timescale of aerosol particle equilibration with respect to water vapor have been investigated for some model systems of atmospheric aerosol, e.g. [2,3]. In particular, it has been shown that the kinetics of the water absorption/desorption process is controlled entirely by liquid-phase diffusion of water molecules for a highly viscous aerosol particle. A liquid phase diffusion model based on numerically solving the non-linear diffusion equation predicts strong internal gradients in water concentration when condensed phase diffusion impedes the water uptake from the gas phase [2]. Here we observe and quantify the internal concentration gradients in single, levitated, micron size aerosol particles of aqueous MBTCA (3-methyl-1,2,3-Butanetricarboxylic acid) and shikimic acid using elastic Mie resonance spectroscopy. A single, aqueous particle is levitated in an electro-dynamic balance (for details see [2]), dried for several days at room temperature, cooled to the target temperature and exposed to a rapid change in relative humidity. In addition to measuring the elastically backscattered light of a 'white light ' LED source and recording the full spectrum with a spectrograph as in [2], we use a tunable diode laser (TDL) to scan high resolution TE- and TM spectra. This combination allows observing various Mie resonance mode orders simultaneously. Since we perform the experiment at low temperatures and low humidities the changes in the Mie-spectra due to water uptake are sufficiently slow to resolve the kinetics. Experimental Mie resonance spectra are inverted to concentration profiles of water within the particle by applying the numerical diffusion model [2] in conjunction with Mie calculations of multilayered spheres [4]. Potential implications for gas to particle partitioning and heterogeneous chemistry are discussed. [1] A. Virtanen et al. (2010): An amorphous solid state of biogenic secondary organic aerosol particles, Nature 467, 824-827. [2] B. Zobrist et al. (2011): Ultra-slow water diffusion in aqueous sucrose glasses, Phys. Chem. Chem. Phys. 13, 3514-3526. [3] D. L. Bones, J. P. Reid, D. M. Lienhard, and U. K. Krieger (2012): Comparing the mechanism of water condensation and evaporation in glassy aerosol, PNAS 109, 11613-11618. [4] O. Peña and U. Pal (2009): Scattering of electromagnetic radiation by a multilayered sphere, Comput. Phys. Commun. 180, 2348-2354.

Implicit Plasma Kinetic Simulation Using The Jacobian-Free Newton-Krylov Method

NASA Astrophysics Data System (ADS)

Taitano, William; Knoll, Dana; Chacon, Luis

2009-11-01

The use of fully implicit time integration methods in kinetic simulation is still area of algorithmic research. A brute-force approach to simultaneously including the field equations and the particle distribution function would result in an intractable linear algebra problem. A number of algorithms have been put forward which rely on an extrapolation in time. They can be thought of as linearly implicit methods or one-step Newton methods. However, issues related to time accuracy of these methods still remain. We are pursuing a route to implicit plasma kinetic simulation which eliminates extrapolation, eliminates phase-space from the linear algebra problem, and converges the entire nonlinear system within a time step. We accomplish all this using the Jacobian-Free Newton-Krylov algorithm. The original research along these lines considered particle methods to advance the distribution function [1]. In the current research we are advancing the Vlasov equations on a grid. Results will be presented which highlight algorithmic details for single species electrostatic problems and coupled ion-electron electrostatic problems. [4pt] [1] H. J. Kim, L. Chac'on, G. Lapenta, ``Fully implicit particle in cell algorithm,'' 47th Annual Meeting of the Division of Plasma Physics, Oct. 24-28, 2005, Denver, CO

Experimental and Theoretical Performance of a Particle Velocity Vector Sensor in a Hybrid Acoustic Beamformer

DTIC Science & Technology

2009-12-01

characterized first by the amplitude and phase relationship of their transfer functions relative to their co-located pressure microphone. The transfer...The Microflown acoustic particle velocity channels were characterized first by the amplitude and phase relationship of their transfer functions...k H k H k and  34Ĥ k . 3) The angular relationships of the velocity sensors to their respective MRAs were recorded and stored as the values of

Destroying coherence in high-temperature superconductors with current flow

DOE PAGES

Kaminski, A.; Rosenkranz, S.; Norman, M. R.; ...

2016-09-13

Here, the loss of single-particle coherence going from the superconducting state to the normal state in underdoped cuprates is a dramatic effect that has yet to be understood. Here, we address this issue by performing angle resolved photoemission spectroscopy measurements in the presence of a transport current. We find that the loss of coherence is associated with the development of an onset in the resistance, in that well before the midpoint of the transition is reached, the sharp peaks in the angle resolved photoemission spectra are completely suppressed. Since the resistance onset is a signature of phase fluctuations, this impliesmore » that the loss of single-particle coherence is connected with the loss of long-range phase coherence.« less

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.

Light scattering Q-space analysis of irregularly shaped particles

NASA Astrophysics Data System (ADS)

Heinson, Yuli W.; Maughan, Justin B.; Heinson, William R.; Chakrabarti, Amitabha; Sorensen, Christopher M.

2016-01-01

We report Q-space analysis of light scattering phase function data for irregularly shaped dust particles and of theoretical model output to describe them. This analysis involves plotting the scattered intensity versus the magnitude of the scattering wave vector q = (4π/λ)sin(θ/2), where λ is the optical wavelength and θ is the scattering angle, on a double-logarithmic plot. In q-space all the particle shapes studied display a scattering pattern which includes a q-independent forward scattering regime; a crossover, Guinier regime when q is near the inverse size; a power law regime; and an enhanced backscattering regime. Power law exponents show a quasi-universal functionality with the internal coupling parameter ρ'. The absolute value of the exponents start from 4 when ρ' < 1, the diffraction limit, and decreases as ρ' increases until a constant 1.75 ± 0.25 when ρ' ≳ 10. The diffraction limit exponent implies that despite their irregular structures, all the particles studied have mass and surface scaling dimensions of Dm = 3 and Ds = 2, respectively. This is different from fractal aggregates that have a power law equal to the fractal dimension Df because Df = Dm = Ds < 3. Spheres have Dm = 3 and Ds = 2 but do not show a single power law nor the same functionality with ρ'. The results presented here imply that Q-space analysis can differentiate between spheres and these two types of irregularly shaped particles. Furthermore, they are applicable to analysis of the contribution of aerosol radiative forcing to climate change and of aerosol remote sensing data.

Electroexcitation of Low-Lying Particle-Hole RPA States of 16O with WBP Interaction

NASA Astrophysics Data System (ADS)

Ali, H. Taqi; R. A., Radhi; Adil, M. Hussein

2014-12-01

The nuclear structure of 16O is studied in the framework of the particle-hole random phase approximation (ph RPA). The Hamiltonian is diagonalized within a model space with particle orbits {1d5/2,1d3/2, and 2s1/2} and the hole orbits {1p3/2 and 1p1/2} using Warburton and Brown interaction WBP. The ph RPA calculations are tested, by comparing the electron scattering form factors with the available experimental data. The results of electron scattering form factors and reduced transition strength for the states: 1-, T = 0 (7.116 MeV); 2-, T = 1 (12.968 MeV); 2-, T = 1 (20.412 MeV); and 3-, T = 0 (6.129 MeV) are interpreted in terms of the harmonic-oscillator (HO) wave functions of size parameter b. The occupation probabilities of the single particle and hole orbits are calculated. The spurious states are removed by adding the center of mass (CM) correction to the nuclear Hamiltonian. A comparison with the available experiments data is presented.

Photooxidation of Alpha-Pinene at High Relative Humidity in the Presence of Increasing Concentrations of NOx

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

Yu, Yong; Ezell, Michael J.; Zelenyuk, Alla

2008-06-01

The photooxidation of ~1 ppm alpha-pinene in the presence of increasing concentrations of NO2 was studied in a Teflon chamber at relative humidities from 70 - 88% and temperatures from 296 - 304 K. The loss of alpha-pinene and formation of gas phase products were followed using proton transfer reaction mass spectrometry (PTR-MS). Gas phase reaction products measured by PTR-MS and their yields include formaldehyde (5 + 1%), formic acid (2.5 + 1.4%), methanol (0.6 + 0.3%), acetaldehyde (3.9 + 1.7%), acetic acid (10 + 2%), acetone (11.5 + 3.1%), pinonaldehyde (22 + 6%), and pinene oxide (0.9 + 0.1%).more » There was evidence of organic nitrates in the gas phase and small peaks were tentatively assigned to norpinonaldehyde, 4-oxopinonaldehyde, propanedial, 2,3-dioxobutanal and 3,5,6-trioxoheptanal or 3-hydroxymethyl-2,2-dimethylcyclobutylethanone. The formation and growth of new particles were followed using a scanning mobility particle sizer (SMPS), and their chemical composition was probed using single particle mass spectrometry (SPLAT II). SPLAT II analysis also provided measurements of the vacuum aerodynamic diameters of the newly formed secondary organic aerosol (SOA) particles and, in combination with the electrical mobility diameter, a particle density of 1.21 + 0.02 g cm-3 was calculated, 20% larger than often assumed in calculating SOA yields. SPLAT II showed that the suspended SOA consisted of a complex mixture of organic nitrates and organics, possibly including pinonic acid, pinic acid and trans-sobrerol. Three-wavelength light scattering measurements made using an integrating nephelometer were consistent with particles having a refractive index characteristic of organic compounds, but the data could not be well matched at all three wavelengths with a single refractive index. The effect of addition of cyclohexane or NO on particle formation showed that ozonolysis was the major mechanism of SOA formation in this system. However, unlike simple ozonolysis, organic nitrates are formed in both the gas and particle phases. Identifying and measuring specific organic nitrates in both the gas and particle phases in air may help to elucidate why SOA formation has been reported in field studies to be associated with polluted urban areas, yet the carbon in these particles is largely contemporary, i.e., non-fossil fuel carbon.« less

Alignment of cryo-EM movies of individual particles by optimization of image translations.

PubMed

Rubinstein, John L; Brubaker, Marcus A

2015-11-01

Direct detector device (DDD) cameras have revolutionized single particle electron cryomicroscopy (cryo-EM). In addition to an improved camera detective quantum efficiency, acquisition of DDD movies allows for correction of movement of the specimen, due to both instabilities in the microscope specimen stage and electron beam-induced movement. Unlike specimen stage drift, beam-induced movement is not always homogeneous within an image. Local correlation in the trajectories of nearby particles suggests that beam-induced motion is due to deformation of the ice layer. Algorithms have already been described that can correct movement for large regions of frames and for >1 MDa protein particles. Another algorithm allows individual <1 MDa protein particle trajectories to be estimated, but requires rolling averages to be calculated from frames and fits linear trajectories for particles. Here we describe an algorithm that allows for individual <1 MDa particle images to be aligned without frame averaging or linear trajectories. The algorithm maximizes the overall correlation of the shifted frames with the sum of the shifted frames. The optimum in this single objective function is found efficiently by making use of analytically calculated derivatives of the function. To smooth estimates of particle trajectories, rapid changes in particle positions between frames are penalized in the objective function and weighted averaging of nearby trajectories ensures local correlation in trajectories. This individual particle motion correction, in combination with weighting of Fourier components to account for increasing radiation damage in later frames, can be used to improve 3-D maps from single particle cryo-EM. Copyright © 2015 Elsevier Inc. All rights reserved.

Electrical and magnetic properties of spherical SmFeO{sub 3} synthesized by aspartic acid assisted combustion method

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

Yuvaraj, Subramanian; Layek, Samar; Vidyavathy, S. Manisha

2015-12-15

Highlights: • SmFeO{sub 3} is synthesized by simple combustion method using aspartic acid as the fuel. • The particles are spherical in shape with the size ranges between 150 and 300 nm. • Cole–Cole plot infers the bulk conduction mechanism. • Room temperature VSM analysis reveal the weak ferromagnetic behaviour of SmFeO{sub 3}. • Mössbauer analysis elucidates the +3 oxidation state of Fe atoms. - Abstract: Samarium orthoferrite (SmFeO{sub 3}) is synthesized by a simple combustion method using aspartic acid as fuel. Phase purity and functional groups are analyzed via X-ray diffraction (XRD) and Fourier transform infrared (FT-IR) analysis, whichmore » confirms the single phase formation of orthorhombic SmFeO{sub 3}. Approximately spherical particles with size range 150–300 nm is revealed by scanning electron microscope (SEM). The conductivity of the material is identified by the single semicircle obtained in the solid state impedance spectra at elevated temperatures. The calculated electrical conductivity increases with increasing temperature, inferring the semiconducting nature of SmFeO{sub 3}. A magnetic study at room temperature revealed weak ferromagnetic behaviour in SmFeO{sub 3} due to Dzyaloshinsky–Moriya antisymmetric exchange interaction mechanism. Mössbauer analysis confirmed the +3 oxidation state of iron and magnetic ordering of the sample at room temperature.« less

New particle dependant parameterizations of heterogeneous freezing processes.

NASA Astrophysics Data System (ADS)

Diehl, Karoline; Mitra, Subir K.

2014-05-01

For detailed investigations of cloud microphysical processes an adiabatic air parcel model with entrainment is used. It represents a spectral bin model which explicitly solves the microphysical equations. The initiation of the ice phase is parameterized and describes the effects of different types of ice nuclei (mineral dust, soot, biological particles) in immersion, contact, and deposition modes. As part of the research group INUIT (Ice Nuclei research UnIT), existing parameterizations have been modified for the present studies and new parameterizations have been developed mainly on the basis of the outcome of INUIT experiments. Deposition freezing in the model is dependant on the presence of dry particles and on ice supersaturation. The description of contact freezing combines the collision kernel of dry particles with the fraction of frozen drops as function of temperature and particle size. A new parameterization of immersion freezing has been coupled to the mass of insoluble particles contained in the drops using measured numbers of ice active sites per unit mass. Sensitivity studies have been performed with a convective temperature and dew point profile and with two dry aerosol particle number size distributions. Single and coupled freezing processes are studied with different types of ice nuclei (e.g., bacteria, illite, kaolinite, feldspar). The strength of convection is varied so that the simulated cloud reaches different levels of temperature. As a parameter to evaluate the results the ice water fraction is selected which is defined as the relation of the ice water content to the total water content. Ice water fractions between 0.1 and 0.9 represent mixed-phase clouds, larger than 0.9 ice clouds. The results indicate the sensitive parameters for the formation of mixed-phase and ice clouds are: 1. broad particle number size distribution with high number of small particles, 2. temperatures below -25°C, 3. specific mineral dust particles as ice nuclei such as illite or montmorillonite. Coupled cases of deposition and contact freezing show that they are hardly in competition because of differences in the preferred particle sizes. In the contact mode, small particles are less efficient for collisions as well as less efficient as ice nuclei so that these are available for deposition freezing. On the other hand, immersion freezing is the dominant process when it is coupled with deposition freezing. As it is initiated earlier the formed ice particles consume water vapor for growing. The competition of combined contact and immersion freezing leads to lower ice water contents because more ice particles are formed via the immersion mode. In general, ice clouds and mixed-phase clouds with high ice water fractions are not directly the result of primary ice formation but of secondary ice formation and growth of ice particles at the expense of liquid drops.

Rapid granular flows on a rough incline: phase diagram, gas transition, and effects of air drag.

PubMed

Börzsönyi, Tamás; Ecke, Robert E

2006-12-01

We report experiments on the overall phase diagram of granular flows on an incline with emphasis on high inclination angles where the mean layer velocity approaches the terminal velocity of a single particle free falling in air. The granular flow was characterized by measurements of the surface velocity, the average layer height, and the mean density of the layer as functions of the hopper opening, the plane inclination angle, and the downstream distance x of the flow. At high inclination angles the flow does not reach an x -invariant steady state over the length of the inclined plane. For low volume flow rates, a transition was detected between dense and very dilute (gas) flow regimes. We show using a vacuum flow channel that air did not qualitatively change the phase diagram and did not quantitatively modify mean flow velocities of the granular layer except for small changes in the very dilute gaslike phase.

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.

Induction of chromatin damage and distribution of isochromatid breaks in human fibroblast cells exposed to heavy ions

NASA Technical Reports Server (NTRS)

Kawata, Tetsuya; Ito, Hisao; Motoori, Ken; Ueda, Takuya; Shigematsu, Naoyuki; Furusawa, Yoshiya; Durante, Marco; George, Kerry; Wu, Honglu; Cucinotta, Francis A.

2002-01-01

The frequency of chromatid breaks and the distribution of isochromatid breaks were measured in G2-phase normal human fibroblasts prematurely condensed a short time after exposure to low- or high-LET radiations. The average number of isochromatid breaks from a single particle traversal increased with increasing LET values, while the average number of chromatid-type breaks appeared to reach a plateau. The distribution of isochromatid breaks after high-LET iron particles exposure was overdispersed compared to gamma-rays, indicating that a single iron particle traversal through a cell nucleus can produce multiple isochromatid breaks.

Induction of chromatin damage and distribution of isochromatid breaks in human fibroblast cells exposed to heavy ions.

PubMed

Kawata, Tetsuya; Ito, Hisao; Motoori, Ken; Ueda, Takuya; Shigematsu, Naoyuki; Furusawa, Yoshiya; Durante, Marco; George, Kerry; Wu, Honglu; Cucinotta, Francis A

2002-12-01

The frequency of chromatid breaks and the distribution of isochromatid breaks were measured in G2-phase normal human fibroblasts prematurely condensed a short time after exposure to low- or high-LET radiations. The average number of isochromatid breaks from a single particle traversal increased with increasing LET values, while the average number of chromatid-type breaks appeared to reach a plateau. The distribution of isochromatid breaks after high-LET iron particles exposure was overdispersed compared to gamma-rays, indicating that a single iron particle traversal through a cell nucleus can produce multiple isochromatid breaks.

Construction and Self-Assembly of Single-Chain Polymer Nanoparticles via Coordination Association and Electrostatic Repulsion in Water.

PubMed

Zhu, Zhengguang; Xu, Na; Yu, Qiuping; Guo, Lei; Cao, Hui; Lu, Xinhua; Cai, Yuanli

2015-08-01

Simultaneous coordination-association and electrostatic-repulsion interactions play critical roles in the construction and stabilization of enzymatic function metal centers in water media. These interactions are promising for construction and self-assembly of artificial aqueous polymer single-chain nanoparticles (SCNPs). Herein, the construction and self-assembly of dative-bonded aqueous SCNPs are reported via simultaneous coordination-association and electrostatic-repulsion interactions within single chains of histamine-based hydrophilic block copolymer. The electrostatic-repulsion interactions are tunable through adjusting the imidazolium/imidazole ratio in response to pH, and in situ Cu(II)-coordination leads to the intramolecular association and single-chain collapse in acidic water. SCNPs are stabilized by the electrostatic repulsion of dative-bonded block and steric shielding of nonionic water-soluble block, and have a huge specific surface area of function metal centers accessible to substrates in acidic water. Moreover, SCNPs can assemble into micelles, networks, and large particles programmably in response to the solution pH. These unique media-sensitive phase-transformation behaviors provide a general, facile, and versatile platform for the fabrication of enzyme-inspired smart aqueous catalysts. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Role of length polydispersity in the phase behavior of freely rotating hard-rectangle fluids

NASA Astrophysics Data System (ADS)

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

2017-05-01

We use the density-functional formalism, in particular the scaled-particle theory, applied to a length-polydisperse hard-rectangle fluid to study its phase behavior as a function of the mean particle aspect ratio κ0 and polydispersity Δ0. The numerical solutions of the coexistence equations are calculated by transforming the original problem with infinite degrees of freedoms to a finite set of equations for the amplitudes of the Fourier expansion of the moments of the density profiles. We divide the study into two parts. The first one is devoted to the calculation of the phase diagrams in the packing fraction η0-κ0 plane for a fixed Δ0 and selecting parent distribution functions with exponential (the Schulz distribution) or Gaussian decays. In the second part we study the phase behavior in the η0-Δ0 plane for fixed κ0 while Δ0 is changed. We characterize in detail the orientational ordering of particles and the fractionation of different species between the coexisting phases. Also we study the character (second vs first order) of the isotropic-nematic phase transition as a function of polydispersity. We particularly focus on the stability of the tetratic phase as a function of κ0 and Δ0. The isotropic-nematic transition becomes strongly of first order when polydispersity is increased: The coexistence gap widens and the location of the tricritical point moves to higher values of κ0 while the tetratic phase is slightly destabilized with respect to the nematic one. The results obtained here can be tested in experiments on shaken monolayers of granular rods.

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.

Symmetric Phase Only Filtering for Improved DPIV Data Processing

NASA Technical Reports Server (NTRS)

Wernet, Mark P.

2006-01-01

The standard approach in Digital Particle Image Velocimetry (DPIV) data processing is to use Fast Fourier Transforms to obtain the cross-correlation of two single exposure subregions, where the location of the cross-correlation peak is representative of the most probable particle displacement across the subregion. This standard DPIV processing technique is analogous to Matched Spatial Filtering, a technique commonly used in optical correlators to perform the crosscorrelation operation. Phase only filtering is a well known variation of Matched Spatial Filtering, which when used to process DPIV image data yields correlation peaks which are narrower and up to an order of magnitude larger than those obtained using traditional DPIV processing. In addition to possessing desirable correlation plane features, phase only filters also provide superior performance in the presence of DC noise in the correlation subregion. When DPIV image subregions contaminated with surface flare light or high background noise levels are processed using phase only filters, the correlation peak pertaining only to the particle displacement is readily detected above any signal stemming from the DC objects. Tedious image masking or background image subtraction are not required. Both theoretical and experimental analyses of the signal-to-noise ratio performance of the filter functions are presented. In addition, a new Symmetric Phase Only Filtering (SPOF) technique, which is a variation on the traditional phase only filtering technique, is described and demonstrated. The SPOF technique exceeds the performance of the traditionally accepted phase only filtering techniques and is easily implemented in standard DPIV FFT based correlation processing with no significant computational performance penalty. An "Automatic" SPOF algorithm is presented which determines when the SPOF is able to provide better signal to noise results than traditional PIV processing. The SPOF based optical correlation processing approach is presented as a new paradigm for more robust cross-correlation processing of low signal-to-noise ratio DPIV image data."

The rate of quasiparticle recombination probes the onset of coherence in cuprate superconductors

DOE PAGES

Hinton, J. P.; Thewalt, E.; Alpichshev, Z.; ...

2016-04-13

In the underdoped copper-oxides, high-temperature superconductivity condenses from a nonconventional metallic ”pseudogap” phase that exhibits a variety of non-Fermi liquid properties. Recently, it has become clear that a charge density wave (CDW) phase exists within the pseudogap regime. This CDW coexists and competes with superconductivity (SC) below the transition temperature T c, suggesting that these two orders are intimately related. Here we show that the condensation of the superfluid from this unconventional precursor is reflected in deviations from the predictions of BSC theory regarding the recombination rate of quasiparticles. We report a detailed investigation of the quasiparticle (QP) recombination lifetime,more » τ qp, as a function of temperature and magnetic field in underdoped HgBa 2CuO 4+δ (Hg-1201) and YBa 2Cu 3O 6+x (YBCO) single crystals by ultrafast time-resolved reflectivity. We find that τ qp(T) exhibits a local maximum in a small temperature window near T c that is prominent in underdoped samples with coexisting charge order and vanishes with application of a small magnetic field. We explain this unusual, non-BCS behavior by positing that T c marks a transition from phase-fluctuating SC/CDW composite order above to a SC/CDW condensate below. Lastly, our results suggest that the superfluid in underdoped cuprates is a condensate of coherently-mixed particle-particle and particle-hole pairs.« less

An improved method for differentiating cell-bound from internalized particles by imaging flow cytometry.

PubMed

Smirnov, Asya; Solga, Michael D; Lannigan, Joanne; Criss, Alison K

2015-08-01

Recognition, binding, internalization, and elimination of pathogens and cell debris are important functions of professional as well as non-professional phagocytes. However, high-throughput methods for quantifying cell-associated particles and discriminating bound from internalized particles have been lacking. Here we describe a protocol for using imaging flow cytometry to quantify the attached and phagocytosed particles that are associated with a population of cells. Cells were exposed to fluorescent particles, fixed, and exposed to an antibody of a different fluorophore that recognizes the particles. The antibody is added without cell permeabilization, such that the antibody only binds extracellular particles. Cells with and without associated particles were identified by imaging flow cytometry. For each cell with associated particles, a spot count algorithm was employed to quantify the number of extracellular (double fluorescent) and intracellular (single fluorescent) particles per cell, from which the percent particle internalization was determined. The spot count algorithm was empirically validated by examining the fluorescence and phase contrast images acquired by the flow cytometer. We used this protocol to measure binding and internalization of the bacterium Neisseria gonorrhoeae by primary human neutrophils, using different bacterial variants and under different cellular conditions. The results acquired using imaging flow cytometry agreed with findings that were previously obtained using conventional immunofluorescence microscopy. This protocol provides a rapid, powerful method for measuring the association and internalization of any particle by any cell type. Copyright © 2015 Elsevier B.V. All rights reserved.

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.

Definition of a magnetic susceptibility of conglomerates with magnetite particles. Particularities of defining single particle susceptibility

NASA Astrophysics Data System (ADS)

Sandulyak, A. A.; Sandulyak, A. V.; Ershova, V.; Pamme, N.; Ngmasom, B.; Iles, A.

2017-11-01

Data of a magnetic susceptibility of ferro-and the ferrimagnetic particles of many technogenic, natural, special media are especially demanded for the solution of various tasks connected with purposeful magnetic impact on these particles. One of productive approaches to definition of a magnetic susceptibility χ of these particles consists in receiving experimental data of a susceptibility of disperse samples 〈 χ 〉 with a disperse phase of these particles. The paper expounds and analyses the results of experiments on defining (by Faraday method in a magnetic field with intensity H = 90-730 kA/m) the magnetic susceptibility 〈 χ 〉 of disperse samples (conglomerates) with a given volume ratio γ of magnetite particles (γ = 0.0065-0.25). The corresponding families of concentration and field dependences are provided alongside with discussing the applicability of linear and exponential functions to describe these dependences. We consider the possibility of defining single particles susceptibility χ (with simultaneous obtaining field dependence of this susceptibility) by the commonly used relation χ = 〈 χ 〉 /γ both at relatively small (preferable for accuracy reasons) values γ - to γ = 0.02…0.025, as well as at increased values γ - up to γ = 0.25. The data χ are provided depending on H and correlating with known data at H < 90 kA/m; they are obtained at small values γ when with almost double distance between the neighbouring particles (in comparison with their proper dimensions) the mutual adverse (to determine valid data χ)magnetic impact of particles is practically excluded. The article also gives the data χ received at increased values γ with almost halved distance between the surfaces of the neighbouring particles. It is specified that in the studied (post-extreme) area of H both variants of obtained field dependencesχare functionally identical within the accuracy of a constant, and close to an exponential dependence χ ∼ 1/H0.75. With the account for the defined here value of constant-multiplier (0.8), it provides the grounds for obtaining valid data χ, employing the results of measuring 〈 χ 〉 for conglomerates with not obligatory small values of γ. It is demonstrated that being obtained by data χ, the calculated field dependence of the particle matter magnetic susceptibility χm (for the case when the particles are traditionally likened to balls with the characteristic for them demagnetising factor equalling 1/3) complies with the anticipated inverse function χm ∼ 1/H in the studied area H (where magnetization M expressed as M = χH reaches saturation M = Const).

Combustion of metal agglomerates in a solid rocket core flow

NASA Astrophysics Data System (ADS)

Maggi, Filippo; Dossi, Stefano; DeLuca, Luigi T.

2013-12-01

The need for access to space may require the use of solid propellants. High thrust and density are appealing features for different applications, spanning from boosting phase to other service applications (separation, de-orbiting, orbit insertion). Aluminum is widely used as a fuel in composite solid rocket motors because metal oxidation increases enthalpy release in combustion chamber and grants higher specific impulse. Combustion process of metal particles is complex and involves aggregation, agglomeration and evolution of reacting particulate inside the core flow of the rocket. It is always stated that residence time should be enough in order to grant complete metal oxidation but agglomerate initial size, rocket grain geometry, burning rate, and other factors have to be reconsidered. New space missions may not require large rocket systems and metal combustion efficiency becomes potentially a key issue to understand whether solid propulsion embodies a viable solution or liquid/hybrid systems are better. A simple model for metal combustion is set up in this paper. Metal particles are represented as single drops trailed by the core flow and reacted according to Beckstead's model. The fluid dynamics is inviscid, incompressible, 1D. The paper presents parametric computations on ideal single-size particles as well as on experimental agglomerate populations as a function of operating rocket conditions and geometries.

Numerical study of particle deposition and scaling in dust exhaust of cyclone separator

NASA Astrophysics Data System (ADS)

Xu, W. W.; Li, Q.; Zhao, Y. L.; Wang, J. J.; Jin, Y. H.

2016-05-01

The solid particles accumulation in the dust exhaust cone area of the cyclone separator can cause the wall wear. This undoubtedly prevents the flue gas turbine from long period and safe operation. So it is important to study the mechanism how the particles deposited and scale on dust exhaust cone area of the cyclone separator. Numerical simulations of gas-solid flow field have been carried out in a single tube in the third cyclone separator. The three-dimensionally coupled computational fluid dynamic (CFD) technology and the modified Discrete Phase Model (DPM) are adopted to model the gas-solid two-phase flow. The results show that with the increase of the operating temperature and processing capacity, the particle sticking possibility near the cone area will rise. The sticking rates will decrease when the particle diameter becomes bigger.

In-situ single submicron particle composition analysis of ice residuals from mountain-top mixed-phase clouds in Central Europe

NASA Astrophysics Data System (ADS)

Schmidt, S.; Schneider, J.; Klimach, T.; Mertes, S.; Schenk, L. P.; Curtius, J.; Kupiszewski, P.; Hammer, E.; Vochezer, P.; Lloyd, G.; Ebert, M.; Kandler, K.; Weinbruch, S.; Borrmann, S.

2015-02-01

This paper presents results from the "INUIT-JFJ/CLACE 2013" field campaign at the high alpine research station Jungfraujoch in January/February 2013. The chemical composition of ice particle residuals (IPR) in a size diameter range of 200-900 nm was measured in orographic, convective and non-convective clouds with a single particle mass spectrometer (ALABAMA) under ambient conditions characterized by temperatures between -28 and -4 °C and wind speed from 0.1 to 21 km h-1. Additionally, background aerosol particles in cloud free air were investigated. The IPR were sampled from mixed-phase clouds with two inlets which selectively extract small ice crystals in-cloud, namely the Counterflow Virtual Impactor (Ice-CVI) and the Ice Selective Inlet (ISI). The IPR as well as the aerosol particles were classified into seven different particle types: (1) black carbon, (2) organic carbon, (3) black carbon internally mixed with organic carbon, (4) minerals, (5) one particle group (termed "BioMinSal") that may contain biological particles, minerals, or salts, (6) industrial metals, and (7) lead containing particles. For any sampled particle population it was determined by means of single particle mass spectrometer how many of the analyzed particles belonged to each of these categories. Accordingly, between 20 and 30% of the IPR and roughly 42% of the background particles contained organic carbon. The measured fractions of minerals in the IPR composition varied from 6 to 33%, while the values for the "BioMinSal" group were between 15 and 29%. Four percent to 31% of the IPR contained organic carbon mixed with black carbon. Both inlets delivered similar results of the chemical composition and of the particle size distribution, although lead was found only in the IPR sampled by the Ice-CVI. The results show that the ice particle residual composition varies substantially between different cloud events, which indicates the influence of different meteorological conditions, such as origin of the air masses, temperature and wind speed.

Dynamic phase coexistence in glass-forming liquids.

PubMed

Pastore, Raffaele; Coniglio, Antonio; Ciamarra, Massimo Pica

2015-07-09

One of the most controversial hypotheses for explaining the heterogeneous dynamics of glasses postulates the temporary coexistence of two phases characterized by a high and by a low diffusivity. In this scenario, two phases with different diffusivities coexist for a time of the order of the relaxation time and mix afterwards. Unfortunately, it is difficult to measure the single-particle diffusivities to test this hypothesis. Indeed, although the non-Gaussian shape of the van-Hove distribution suggests the transient existence of a diffusivity distribution, it is not possible to infer from this quantity whether two or more dynamical phases coexist. Here we provide the first direct observation of the dynamical coexistence of two phases with different diffusivities, by showing that in the deeply supercooled regime the distribution of the single-particle diffusivities acquires a transient bimodal shape. We relate this distribution to the heterogeneity of the dynamics and to the breakdown of the Stokes-Einstein relation, and we show that the coexistence of two dynamical phases occurs up to a timescale growing faster than the relaxation time on cooling, for some of the considered models. Our work offers a basis for rationalizing the dynamics of supercooled liquids and for relating their structural and dynamical properties.

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.

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.

Continuum approaches for describing solid-gas and solid-liquid flow

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

Diamond, P.; Harvey, J.; Levine, H.

Two-phase continuum models have been used to describe the multiphase flow properties of solid-gas and solid-liquid mixtures. The approach is limited in that it requires many fitting functions and parameters to be determined empirically, and it does not provide natural explanations for some of the qualitative behavior of solid-fluid flow. In this report, we explore a more recent single-phase continuum model proposed by Jenkins and Savage to describe granular flow. Jenkins and McTigue have proposed a modified model to describe the flow of dense suspensions, and hence, many of our results can be straight-forwardly extended to this flow regime asmore » well. The solid-fluid mixture is treated as a homogeneous, compressible fluid in which the particle fluctuations about the mean flow are described in terms of an effective temperature. The particle collisions are treated as inelastic. After an introduction in which we briefly comment on the present status of the field, we describe the details of the single-phase continuum model and analyze the microscopic and macroscopic flow conditions required for the approach to be valid. We then derive numerous qualitative predictions which can be empirically verified in small-scale experiments: The flow profiles are computed for simple boundary conditions, plane Couette flow and channel flow. Segregaion effects when there are two (or more) particle size are considered. The acoustic dispersion relation is derived and shown to predict that granular flow is supersonic. We point out that the analysis of flow instabilities is complicated by the finite compressibility of the solid-fluid mixture. For example, the large compressibility leads to interchange (Rayleigh-Taylor instabilities) in addition to the usual angular momentum interchange in standard (cylindrical) Couette flow. We conclude by describing some of the advantages and limitations of experimental techniques that might be used to test predictions for solid-fluid flow. 19 refs.« less

The Secondary Organic Aerosol Processor (SOAP v1.0) model: a unified model with different ranges of complexity based on the molecular surrogate approach

NASA Astrophysics Data System (ADS)

Couvidat, F.; Sartelet, K.

2015-04-01

In this paper the Secondary Organic Aerosol Processor (SOAP v1.0) model is presented. This model determines the partitioning of organic compounds between the gas and particle phases. It is designed to be modular with different user options depending on the computation time and the complexity required by the user. This model is based on the molecular surrogate approach, in which each surrogate compound is associated with a molecular structure to estimate some properties and parameters (hygroscopicity, absorption into the aqueous phase of particles, activity coefficients and phase separation). Each surrogate can be hydrophilic (condenses only into the aqueous phase of particles), hydrophobic (condenses only into the organic phases of particles) or both (condenses into both the aqueous and the organic phases of particles). Activity coefficients are computed with the UNIFAC (UNIversal Functional group Activity Coefficient; Fredenslund et al., 1975) thermodynamic model for short-range interactions and with the Aerosol Inorganic-Organic Mixtures Functional groups Activity Coefficients (AIOMFAC) parameterization for medium- and long-range interactions between electrolytes and organic compounds. Phase separation is determined by Gibbs energy minimization. The user can choose between an equilibrium representation and a dynamic representation of organic aerosols (OAs). In the equilibrium representation, compounds in the particle phase are assumed to be at equilibrium with the gas phase. However, recent studies show that the organic aerosol is not at equilibrium with the gas phase because the organic phases could be semi-solid (very viscous liquid phase). The condensation-evaporation of organic compounds could then be limited by the diffusion in the organic phases due to the high viscosity. An implicit dynamic representation of secondary organic aerosols (SOAs) is available in SOAP with OAs divided into layers, the first layer being at the center of the particle (slowly reaches equilibrium) and the final layer being near the interface with the gas phase (quickly reaches equilibrium). Although this dynamic implicit representation is a simplified approach to model condensation-evaporation with a low number of layers and short CPU (central processing unit) time, it shows good agreements with an explicit representation of condensation-evaporation (no significant differences after a few hours of condensation).

An exact solution to the relativistic equation of motion of a charged particle driven by a linearly polarized electromagnetic wave

NASA Technical Reports Server (NTRS)

Shebalin, John V.

1988-01-01

An exact analytic solution is found for a basic electromagnetic wave-charged particle interaction by solving the nonlinear equations of motion. The particle position, velocity, and corresponding time are found to be explicit functions of the total phase of the wave. Particle position and velocity are thus implicit functions of time. Applications include describing the motion of a free electron driven by an intense laser beam..

Visualization of anisotropic-isotropic phase transformation dynamics in battery electrode particles

DOE PAGES

Wang, Jiajun; Karen Chen-Wiegart, Yu-chen; Eng, Christopher; ...

2016-08-12

Anisotropy, or alternatively, isotropy of phase transformations extensively exist in a number of solid-state materials, with performance depending on the three-dimensional transformation features. Fundamental insights into internal chemical phase evolution allow manipulating materials with desired functionalities, and can be developed via real-time multi-dimensional imaging methods. In this paper, we report a five-dimensional imaging method to track phase transformation as a function of charging time in individual lithium iron phosphate battery cathode particles during delithiation. The electrochemically driven phase transformation is initially anisotropic with a preferred boundary migration direction, but becomes isotropic as delithiation proceeds further. We also observe the expectedmore » two-phase coexistence throughout the entire charging process. Finally, we expect this five-dimensional imaging method to be broadly applicable to problems in energy, materials, environmental and life sciences.« less

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

DOE PAGES

McConnell, Josh; Sutherland, James C.

2016-07-09

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

The effect of model fidelity on prediction of char burnout for single-particle coal combustion

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

McConnell, Josh; Sutherland, James C.

In this study, practical simulation of industrial-scale coal combustion relies on the ability to accurately capture the dynamics of coal subprocesses while also ensuring the computational cost remains reasonable. The majority of the residence time occurs post-devolatilization, so it is of great importance that a balance between the computational efficiency and accuracy of char combustion models is carefully considered. In this work, we consider the importance of model fidelity during char combustion by comparing combinations of simple and complex gas and particle-phase chemistry models. Detailed kinetics based on the GRI 3.0 mechanism and infinitely-fast chemistry are considered in the gas-phase.more » The Char Conversion Kinetics model and nth-Order Langmuir–Hinshelwood model are considered for char consumption. For devolatilization, the Chemical Percolation and Devolatilization and Kobayashi-Sarofim models are employed. The relative importance of gasification versus oxidation reactions in air and oxyfuel environments is also examined for various coal types. Results are compared to previously published experimental data collected under laminar, single-particle conditions. Calculated particle temperature histories are strongly dependent on the choice of gas phase and char chemistry models, but only weakly dependent on the chosen devolatilization model. Particle mass calculations were found to be very sensitive to the choice of devolatilization model, but only somewhat sensitive to the choice of gas chemistry and char chemistry models. High-fidelity models for devolatilization generally resulted in particle temperature and mass calculations that were closer to experimentally observed values.« less

A Hybrid Method for Accelerated Simulation of Coulomb Collisions in a Plasma

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

Caflisch, R; Wang, C; Dimarco, G

2007-10-09

If the collisional time scale for Coulomb collisions is comparable to the characteristic time scales for a plasma, then simulation of Coulomb collisions may be important for computation of kinetic plasma dynamics. This can be a computational bottleneck because of the large number of simulated particles and collisions (or phase-space resolution requirements in continuum algorithms), as well as the wide range of collision rates over the velocity distribution function. This paper considers Monte Carlo simulation of Coulomb collisions using the binary collision models of Takizuka & Abe and Nanbu. It presents a hybrid method for accelerating the computation of Coulombmore » collisions. The hybrid method represents the velocity distribution function as a combination of a thermal component (a Maxwellian distribution) and a kinetic component (a set of discrete particles). Collisions between particles from the thermal component preserve the Maxwellian; collisions between particles from the kinetic component are performed using the method of or Nanbu. Collisions between the kinetic and thermal components are performed by sampling a particle from the thermal component and selecting a particle from the kinetic component. Particles are also transferred between the two components according to thermalization and dethermalization probabilities, which are functions of phase space.« less

An efficient (t,n) threshold quantum secret sharing without entanglement

NASA Astrophysics Data System (ADS)

Qin, Huawang; Dai, Yuewei

2016-04-01

An efficient (t,n) threshold quantum secret sharing (QSS) scheme is proposed. In our scheme, the Hash function is used to check the eavesdropping, and no particles need to be published. So the utilization efficiency of the particles is real 100%. No entanglement is used in our scheme. The dealer uses the single particles to encode the secret information, and the participants get the secret through measuring the single particles. Compared to the existing schemes, our scheme is simpler and more efficient.

Live-cell imaging reveals the dynamics and function of single-telomere TERRA molecules in cancer cells.

PubMed

Avogaro, Laura; Querido, Emmanuelle; Dalachi, Myriam; Jantsch, Michael F; Chartrand, Pascal; Cusanelli, Emilio

2018-04-16

Telomeres cap the ends of eukaryotic chromosomes, protecting them from degradation and erroneous recombination events which may lead to genome instability. Telomeres are transcribed giving rise to telomeric repeat-containing RNAs, called TERRA. The TERRA long noncoding RNAs have been proposed to play important roles in telomere biology, including heterochromatin formation and telomere length homeostasis. While TERRA RNAs are predominantly nuclear and localize at telomeres, little is known about the dynamics and function of TERRA molecules expressed from individual telomeres. Herein, we developed an assay to image endogenous TERRA molecules expressed from a single telomere in living human cancer cells. We show that single-telomere TERRA can be detected as TERRA RNA single particles which freely diffuse within the nucleus. Furthermore, TERRA molecules aggregate forming TERRA clusters. Three-dimensional size distribution and single particle tracking analyses revealed distinct sizes and dynamics for TERRA RNA single particles and clusters. Simultaneous time lapse confocal imaging of TERRA particles and telomeres showed that TERRA clusters transiently co-localize with telomeres. Finally, we used chemically modified antisense oligonucleotides to deplete TERRA molecules expressed from a single telomere. Single-telomere TERRA depletion resulted in increased DNA damage at telomeres and elsewhere in the genome. These results suggest that single-telomere TERRA transcripts participate in the maintenance of genomic integrity in human cancer cells.

The Dependence of Cirrus Gamma Size Distributions Expressed as Volumes in N(sub 0)-Lambda-Mu Phase Space and Bulk Cloud Properties on Environmental Conditions: Results from the Small Ice Particles in Cirrus Experiment (SPARTICUS)

NASA Technical Reports Server (NTRS)

Jackson, Robert C.; McFarquhar, Greg M.; Fridlind, Ann M.; Atlas, Rachel

2015-01-01

The variability of cirrus ice microphysical properties is investigated using observations obtained during the Small Particles in Cirrus (SPARTICUS) campaign. An existing approach that represents a size distribution (SD) as a single gamma function using an ellipsoid of equally realizable solutions in (N(sub 0), lambda, mu) phase space is modified to automatically identify multiple modes in SDs and characterize each mode by such an ellipsoid. The modified approach is applied to ice crystals with maximum dimension D greater than15 micrometers collected by the 2-D stereo and 2-D precipitation probes on the Stratton Park Engineering Company Learjet. The dependencies of N(sub 0), mu, and lambda from each mode, total number concentration, bulk extinction, ice water content (IWC), and mass median maximum dimension D(sub mm) as a function of temperature T and cirrus type are then analyzed. The changes in the observed codependencies between N(sub 0), mu, and lambda, bulk extinction, IWC, and D(sub mm) with environmental conditions indicate that particles were larger at higher T during SPARTICUS. At most two modes were observed in any SD during SPARTICUS, with the average boundary between them at 115 micrometers, similar to past studies not using probes with shatter mitigating tips and artifact removal algorithms. The bimodality of the SDs increased with T. This and the differences in N(sub 0), mu, and lambda between the modes suggest that particles with smaller D nucleated more recently than particles with larger D, which grew via vapor deposition and aggregation. Because smaller crystals, whose concentrations are uncertain, make marginal contributions to higher order moments, the use of higher moments for evaluating model fields is suggested.

Aerosol properties in the upper clouds of Venus from glory observations by the Venus Monitoring Camera (Venus Express mission)

NASA Astrophysics Data System (ADS)

Markiewicz, Wojciech J.; Petrova, Elena V.; Shalygina, Oksana S.

2018-01-01

From the angular positions of the glory features observed on the upper cloud deck of Venus in three VMC channels (at 0.365, 0.513, and 0.965 μm), the dominating sizes of cloud particles and their refractive indices have been retrieved, and their spatial and temporal variations have been analyzed. For this, the phase profiles of brightness were compared to the single-scattering phase functions of particles of different sizes, since diffuse multiple scattering in the clouds does not move the angular positions of the glory, which is produced by the single scattering by cloud particles, but only makes them less pronounced. We presented the measured phase profiles in two ways: they were built for individual images and for individual small regions observed in series of successive images. The analysis of the data of both types has yielded consistent results. The presently retrieved radii of cloud particle average approximately 1.0-1.2 μm (though some values reach 1.4 μm) and demonstrate a variable pattern versus latitude and local solar time (LST). The decrease of particle sizes at high latitudes (down to 0.6 μm at 60°S) earlier found from the 0.965-μm and partly 0.365-μm data has been definitely confirmed in the analysis of the data of all three channels considered. To obtain the consistent estimates of particle sizes from the UV glory maximum and minimum positions, we have to vary the effective variance of the particle sizes, while it was fixed constant in our previous studies. The twofold increase of this parameter (from 0.07 to 0.14) diminishes the estimates of particle sizes by 10-15%, while the effect on the retrieved refractive index is negligible. The obtained estimates of the refractive index are more or less uniformly distributed over the covered latitude and LST ranges, and most of them are higher than those of concentrated sulfuric acid solution. This confirms our previous result obtained only at 0.965 μm, and now we may state that the cases of a relatively high real part of the refractive index are often observed for the 1-μm mode of cloud particles on Venus. Consequently, an additional component with a high value of the refractive index is required to be present in the cloud droplets. We suggest that this component is in small submicron particles; during the condensation process, they become incorporated into sulfuric acid droplets, which results in forming the complex UV absorbing particles with an increased refractive index. We suppose that this material can be ferric chloride that is one of the candidates for the so-called unknown UV absorber in the upper clouds of Venus.

Inherent and Apparent Scattering Properties of Coated or Uncoated Spheres Embedded in an Absorbing Host Medium

NASA Technical Reports Server (NTRS)

Yang, P.; Gao, B.-C.; Wiscombe, W. J.; Mishchenko, M. I.; Platnick, S.; Huang, H.-L.; Baum, B. A.; Hu, Y. X.; Winkler, D,; Tsay, S.-C.;

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

Ultrafast Phase Mapping of Thin-Sections from An Apollo 16 Drive Tube - a New Visualisation of Lunar Regolith

NASA Technical Reports Server (NTRS)

Botha, Pieter; Butcher, Alan R.; Horsch, Hana; Rickman, Doug; Wentworth, Susan J.; Schrader, Christian M.; Stoeser, Doug; Benedictus, Aukje; Gottlieb, Paul; McKay, David

2008-01-01

Polished thin-sections of samples extracted from Apollo drive tubes provide unique insights into the structure of the Moon's regolith at various landing sites. In particular, they allow the mineralogy and texture of the regolith to be studied as a function of depth. Much has been written about such thin-sections based on optical, SEM and EPMA studies, in terms of their essential petrographic features, but there has been little attempt to quantify these aspects from a spatial perspective. In this study, we report the findings of experimental analysis of two thin-sections (64002, 6019, depth range 5.0 - 8.0 cm & 64001, 6031, depth range 50.0 - 53.1 cm), from a single Apollo 16 drive tube using QEMSCAN . A key feature of the method is phase identification by ultrafast energy dispersive x-ray mapping on a pixel-by-pixel basis. By selecting pixel resolutions ranging from 1 - 5 microns, typically 8,500,000 individual measurement points can be collected on a thin-section. The results we present include false colour digital images of both thin-sections. From these images, information such as phase proportions (major, minor and trace phases), particle textures, packing densities, and particle geometries, has been quantified. Parameters such as porosity and average phase density, which are of geomechanical interest, can also be calculated automatically. This study is part of an on-going investigation into spatial variation of lunar regolith and NASA's ISRU Lunar Simulant Development Project.

Forces between functionalized silica nanoparticles in solution

NASA Astrophysics Data System (ADS)

Lane, J. Matthew D.; Ismail, Ahmed E.; Chandross, Michael; Lorenz, Christian D.; Grest, Gary S.

2009-05-01

To prevent the flocculation and phase separation of nanoparticles in solution, nanoparticles are often functionalized with short chain surfactants. Here we present fully atomistic molecular dynamics simulations which characterize how these functional coatings affect the interactions between nanoparticles and with the surrounding solvent. For 5-nm-diameter silica nanoparticles coated with poly(ethylene oxide) (PEO) oligomers in water, we determined the hydrodynamic drag on two approaching nanoparticles moving through solvent and on a single nanoparticle as it approaches a planar surface. In most circumstances, macroscale fluid theory accurately predicts the drag on these nanoscale particles. Good agreement is seen with Brenner’s analytical solutions for wall separations larger than the soft nanoparticle radius. For two approaching coated nanoparticles, the solvent-mediated (velocity independent) and lubrication (velocity-dependent) forces are purely repulsive and do not exhibit force oscillations that are typical of uncoated rigid spheres.

Kappa Distribution in a Homogeneous Medium: Adiabatic Limit of a Super-diffusive Process?

NASA Astrophysics Data System (ADS)

Roth, I.

2015-12-01

The classical statistical theory predicts that an ergodic, weakly interacting system like charged particles in the presence of electromagnetic fields, performing Brownian motions (characterized by small range deviations in phase space and short-term microscopic memory), converges into the Gibbs-Boltzmann statistics. Observation of distributions with a kappa-power-law tails in homogeneous systems contradicts this prediction and necessitates a renewed analysis of the basic axioms of the diffusion process: characteristics of the transition probability density function (pdf) for a single interaction, with a possibility of non-Markovian process and non-local interaction. The non-local, Levy walk deviation is related to the non-extensive statistical framework. Particles bouncing along (solar) magnetic field with evolving pitch angles, phases and velocities, as they interact resonantly with waves, undergo energy changes at undetermined time intervals, satisfying these postulates. The dynamic evolution of a general continuous time random walk is determined by pdf of jumps and waiting times resulting in a fractional Fokker-Planck equation with non-integer derivatives whose solution is given by a Fox H-function. The resulting procedure involves the known, although not frequently used in physics fractional calculus, while the local, Markovian process recasts the evolution into the standard Fokker-Planck equation. Solution of the fractional Fokker-Planck equation with the help of Mellin transform and evaluation of its residues at the poles of its Gamma functions results in a slowly converging sum with power laws. It is suggested that these tails form the Kappa function. Gradual vs impulsive solar electron distributions serve as prototypes of this description.

Custom-designed nanomaterial libraries for testing metal oxide toxicity

PubMed Central

Pokhrel, Suman; Nel, André E.; Mädler, Lutz

2014-01-01

Conspectus Advances in aerosol technology over the past 10 years have provided methods that enable the generation and design of ultrafine nanoscale materials for different applications. The particles are produced combusting a precursor solution and its chemical reaction in the in the gas phase. Flame spray pyrolysis (FSP) is a highly versatile technique for single step and scalable synthesis of nanoscale materials. New innovations in particle synthesis using FSP technology and its precursor chemistry have enabled flexible dry synthesis of loosely-agglomerated highly crystalline ultrafine powders (porosity ≥ 90%) of binary, ternary and mixed binary or ternary oxides. The flame spray pyrolysis lies at the intersection of combustion science, aerosols technology and materials chemistry. The interdisciplinary research is not only inevitable but is becoming increasingly crucial in the design of nanoparticles (NPs) made in the gas phase. The increasing demand especially in the bio-applications for particles with specific material composition, high purity and crystallinity can be often fulfilled with the fast, single step FSP technique. PMID:23194152

The Microwave Properties of Simulated Melting Precipitation Particles: Sensitivity to Initial Melting

NASA Technical Reports Server (NTRS)

Johnson, B. T.; Olson, W. S.; Skofronick-Jackson, G.

2016-01-01

A simplified approach is presented for assessing the microwave response to the initial melting of realistically shaped ice particles. This paper is divided into two parts: (1) a description of the Single Particle Melting Model (SPMM), a heuristic melting simulation for ice-phase precipitation particles of any shape or size (SPMM is applied to two simulated aggregate snow particles, simulating melting up to 0.15 melt fraction by mass), and (2) the computation of the single-particle microwave scattering and extinction properties of these hydrometeors, using the discrete dipole approximation (via DDSCAT), at the following selected frequencies: 13.4, 35.6, and 94.0GHz for radar applications and 89, 165.0, and 183.31GHz for radiometer applications. These selected frequencies are consistent with current microwave remote-sensing platforms, such as CloudSat and the Global Precipitation Measurement (GPM) mission. Comparisons with calculations using variable-density spheres indicate significant deviations in scattering and extinction properties throughout the initial range of melting (liquid volume fractions less than 0.15). Integration of the single-particle properties over an exponential particle size distribution provides additional insight into idealized radar reflectivity and passive microwave brightness temperature sensitivity to variations in size/mass, shape, melt fraction, and particle orientation.

Phase diagram of a symmetric electron-hole bilayer system: a variational Monte Carlo study.

PubMed

Sharma, Rajesh O; Saini, L K; Bahuguna, Bhagwati Prasad

2018-05-10

We study the phase diagram of a symmetric electron-hole bilayer system at absolute zero temperature and in zero magnetic field within the quantum Monte Carlo approach. In particular, we conduct variational Monte Carlo simulations for various phases, i.e. the paramagnetic fluid phase, the ferromagnetic fluid phase, the anti-ferromagnetic Wigner crystal phase, the ferromagnetic Wigner crystal phase and the excitonic phase, to estimate the ground-state energy at different values of in-layer density and inter-layer spacing. Slater-Jastrow style trial wave functions, with single-particle orbitals appropriate for different phases, are used to construct the phase diagram in the (r s , d) plane by finding the relative stability of trial wave functions. At very small layer separations, we find that the fluid phases are stable, with the paramagnetic fluid phase being particularly stable at [Formula: see text] and the ferromagnetic fluid phase being particularly stable at [Formula: see text]. As the layer spacing increases, we first find that there is a phase transition from the ferromagnetic fluid phase to the ferromagnetic Wigner crystal phase when d reaches 0.4 a.u. at r s   =  20, and before there is a return to the ferromagnetic fluid phase when d approaches 1 a.u. However, for r s   <  20 and [Formula: see text] a.u., the excitonic phase is found to be stable. We do not find that the anti-ferromagnetic Wigner crystal is stable over the considered range of r s and d. We also find that as r s increases, the critical layer separations for Wigner crystallization increase.

A technique for generating phase-space-based Monte Carlo beamlets in radiotherapy applications.

PubMed

Bush, K; Popescu, I A; Zavgorodni, S

2008-09-21

As radiotherapy treatment planning moves toward Monte Carlo (MC) based dose calculation methods, the MC beamlet is becoming an increasingly common optimization entity. At present, methods used to produce MC beamlets have utilized a particle source model (PSM) approach. In this work we outline the implementation of a phase-space-based approach to MC beamlet generation that is expected to provide greater accuracy in beamlet dose distributions. In this approach a standard BEAMnrc phase space is sorted and divided into beamlets with particles labeled using the inheritable particle history variable. This is achieved with the use of an efficient sorting algorithm, capable of sorting a phase space of any size into the required number of beamlets in only two passes. Sorting a phase space of five million particles can be achieved in less than 8 s on a single-core 2.2 GHz CPU. The beamlets can then be transported separately into a patient CT dataset, producing separate dose distributions (doselets). Methods for doselet normalization and conversion of dose to absolute units of Gy for use in intensity modulated radiation therapy (IMRT) plan optimization are also described.

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.

Online single particle analysis of ice particle residuals from mountain-top mixed-phase clouds using laboratory derived particle type assignment

NASA Astrophysics Data System (ADS)

Schmidt, Susan; Schneider, Johannes; Klimach, Thomas; Mertes, Stephan; Schenk, Ludwig Paul; Kupiszewski, Piotr; Curtius, Joachim; Borrmann, Stephan

2017-01-01

In situ single particle analysis of ice particle residuals (IPRs) and out-of-cloud aerosol particles was conducted by means of laser ablation mass spectrometry during the intensive INUIT-JFJ/CLACE campaign at the high alpine research station Jungfraujoch (3580 m a.s.l.) in January-February 2013. During the 4-week campaign more than 70 000 out-of-cloud aerosol particles and 595 IPRs were analyzed covering a particle size diameter range from 100 nm to 3 µm. The IPRs were sampled during 273 h while the station was covered by mixed-phase clouds at ambient temperatures between -27 and -6 °C. The identification of particle types is based on laboratory studies of different types of biological, mineral and anthropogenic aerosol particles. The outcome of these laboratory studies was characteristic marker peaks for each investigated particle type. These marker peaks were applied to the field data. In the sampled IPRs we identified a larger number fraction of primary aerosol particles, like soil dust (13 ± 5 %) and minerals (11 ± 5 %), in comparison to out-of-cloud aerosol particles (2.4 ± 0.4 and 0.4 ± 0.1 %, respectively). Additionally, anthropogenic aerosol particles, such as particles from industrial emissions and lead-containing particles, were found to be more abundant in the IPRs than in the out-of-cloud aerosol. In the out-of-cloud aerosol we identified a large fraction of aged particles (31 ± 5 %), including organic material and secondary inorganics, whereas this particle type was much less abundant (2.7 ± 1.3 %) in the IPRs. In a selected subset of the data where a direct comparison between out-of-cloud aerosol particles and IPRs in air masses with similar origin was possible, a pronounced enhancement of biological particles was found in the IPRs.

Remarkable NO oxidation on single supported platinum atoms

DOE PAGES

Narula, Chaitanya K.; Allard, Lawrence F.; Stocks, G. M.; ...

2014-11-28

Our first-principles density functional theoretical modeling suggests that NO oxidation is feasible on fully oxidized single θ-alumina-supported platinum atoms via a modified Langmuir-Hinshelwood pathway. This is in contrast to the known decrease in NO oxidation activity of supported platinum with decreasing Pt particle size believed to be due to increased platinum oxidation. In order to validate our theoretical study, we evaluated single θ-Al 2O 3-supported platinum atoms and found them to exhibit remarkable NO oxidation activity. A comparison of turnover frequencies (TOF) of single supported Pt atoms with those of platinum particles for NO oxidation shows that single supported Ptmore » atoms are as active as fully formed platinum particles. The overall picture of NO oxidation on supported Pt is that NO oxidation activity decreases with decreasing Pt particle size but accelerates when Pt is present only as single atoms.« less

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.

Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part I. Microstructural Characterization of Rapidly Solidified Solders

NASA Astrophysics Data System (ADS)

Reeve, Kathlene N.; Choquette, Stephanie M.; Anderson, Iver E.; Handwerker, Carol A.

2016-12-01

Particles of Cu x Al y in Sn-Cu-Al solders have previously been shown to nucleate the Cu6Sn5 phase during solidification. In this study, the number and size of Cu6Sn5 nucleation sites were controlled through the particle size refinement of Cu x Al y via rapid solidification processing and controlled cooling in a differential scanning calorimeter. Cooling rates spanning eight orders of magnitude were used to refine the average Cu x Al y and Cu6Sn5 particle sizes down to submicron ranges. The average particle sizes, particle size distributions, and morphologies in the microstructures were analyzed as a function of alloy composition and cooling rate. Deep etching of the samples revealed the three-dimensional microstructures and illuminated the epitaxial and morphological relationships between the Cu x Al y and Cu6Sn5 phases. Transitions in the Cu6Sn5 particle morphologies from faceted rods to nonfaceted, equiaxed particles were observed as a function of both cooling rate and composition. Initial solidification cooling rates within the range of 103 to 104 °C/s were found to be optimal for realizing particle size refinement and maintaining the Cu x Al y /Cu6Sn5 nucleant relationship. In addition, little evidence of the formation or decomposition of the ternary- β phase in the solidified alloys was noted. Solidification pathways omitting the formation of the ternary- β phase agreed well with observed room temperature microstructures.

Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part I. Microstructural Characterization of Rapidly Solidified Solders

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

Reeve, Kathlene N.; Choquette, Stephanie M.; Anderson, Iver E.

Particles of Cu x Al y in Sn-Cu-Al solders have previously been shown to nucleate the Cu 6Sn 5 phase during solidification. In this study, the number and size of Cu 6Sn 5 nucleation sites were controlled through the particle size refinement of Cu x Al y via rapid solidification processing and controlled cooling in a differential scanning calorimeter. Cooling rates spanning eight orders of magnitude were used to refine the average Cu x Al y and Cu 6Sn 5 particle sizes down to submicron ranges. The average particle sizes, particle size distributions, and morphologies in the microstructures were analyzedmore » as a function of alloy composition and cooling rate. Deep etching of the samples revealed the three-dimensional microstructures and illuminated the epitaxial and morphological relationships between the Cu x Al y and Cu 6Sn 5 phases. Transitions in the Cu 6Sn 5 particle morphologies from faceted rods to nonfaceted, equiaxed particles were observed as a function of both cooling rate and composition. Initial solidification cooling rates within the range of 10 3 to 10 4 °C/s were found to be optimal for realizing particle size refinement and maintaining the Cu x Al y /Cu 6Sn 5 nucleant relationship. In addition, little evidence of the formation or decomposition of the ternary-β phase in the solidified alloys was noted. As a result, solidification pathways omitting the formation of the ternary-β phase agreed well with observed room temperature microstructures.« less

Rapid Solidification of Sn-Cu-Al Alloys for High-Reliability, Lead-Free Solder: Part I. Microstructural Characterization of Rapidly Solidified Solders

DOE PAGES

Reeve, Kathlene N.; Choquette, Stephanie M.; Anderson, Iver E.; ...

2016-10-06

Particles of Cu x Al y in Sn-Cu-Al solders have previously been shown to nucleate the Cu 6Sn 5 phase during solidification. In this study, the number and size of Cu 6Sn 5 nucleation sites were controlled through the particle size refinement of Cu x Al y via rapid solidification processing and controlled cooling in a differential scanning calorimeter. Cooling rates spanning eight orders of magnitude were used to refine the average Cu x Al y and Cu 6Sn 5 particle sizes down to submicron ranges. The average particle sizes, particle size distributions, and morphologies in the microstructures were analyzedmore » as a function of alloy composition and cooling rate. Deep etching of the samples revealed the three-dimensional microstructures and illuminated the epitaxial and morphological relationships between the Cu x Al y and Cu 6Sn 5 phases. Transitions in the Cu 6Sn 5 particle morphologies from faceted rods to nonfaceted, equiaxed particles were observed as a function of both cooling rate and composition. Initial solidification cooling rates within the range of 10 3 to 10 4 °C/s were found to be optimal for realizing particle size refinement and maintaining the Cu x Al y /Cu 6Sn 5 nucleant relationship. In addition, little evidence of the formation or decomposition of the ternary-β phase in the solidified alloys was noted. As a result, solidification pathways omitting the formation of the ternary-β phase agreed well with observed room temperature microstructures.« less

Biodegradable polymeric microsphere-based vaccines and their applications in infectious diseases

PubMed Central

Lin, Chi-Ying; Lin, Shih-Jie; Yang, Yi-Chen; Wang, Der-Yuan; Cheng, Hwei-Fang; Yeh, Ming-Kung

2015-01-01

Vaccination, which provides effective, safe infectious disease protection, is among the most important recent public health and immunological achievements. However, infectious disease remains the leading cause of death in developing countries because several vaccines require repeated administrations and children are often incompletely immunized. Microsphere-based systems, providing controlled release delivery, can obviate the need for repeat immunizations. Here, we review the function of sustained and pulsatile release of biodegradable polymeric microspheres in parenteral and mucosal single-dose vaccine administration. We also review the active-targeting function of polymeric particles. With their shield and co-delivery functions, polymeric particles are applied to develop single-dose and mucosally administered vaccines as well as to improve subunit vaccines. Because polymeric particles are easily surface-modified, they have been recently used in vaccine development for cancers and many infectious diseases without effective vaccines (e.g., human immunodeficiency virus infection). These polymeric particle functions yield important vaccine carriers and multiple benefits. PMID:25839217

Modeling compressible multiphase flows with dispersed particles in both dense and dilute regimes

NASA Astrophysics Data System (ADS)

McGrath, T.; St. Clair, J.; Balachandar, S.

2018-05-01

Many important explosives and energetics applications involve multiphase formulations employing dispersed particles. While considerable progress has been made toward developing mathematical models and computational methodologies for these flows, significant challenges remain. In this work, we apply a mathematical model for compressible multiphase flows with dispersed particles to existing shock and explosive dispersal problems from the literature. The model is cast in an Eulerian framework, treats all phases as compressible, is hyperbolic, and satisfies the second law of thermodynamics. It directly applies the continuous-phase pressure gradient as a forcing function for particle acceleration and thereby retains relaxed characteristics for the dispersed particle phase that remove the constituent material sound velocity from the eigenvalues. This is consistent with the expected characteristics of dispersed particle phases and can significantly improve the stable time-step size for explicit methods. The model is applied to test cases involving the shock and explosive dispersal of solid particles and compared to data from the literature. Computed results compare well with experimental measurements, providing confidence in the model and computational methods applied.

Photometric functions for photoclinometry and other applications

USGS Publications Warehouse

McEwen, A.S.

1991-01-01

Least-squared fits to the brightness profiles across a disk or "limb darkening" described by Hapke's photometric function are found for the simpler Minnaert and lunar-Lambert functions. The simpler functions are needed to reduce the number of unknown parameters in photoclinometry, especially to distinguish the brightness variations of the surface materials from that due to the resolved topography. The limb darkening varies with the Hapke parameters for macroscopic roughness (??), the single-scattering albedo (w), and the asymmetry factor of the particle phase function (g). Both of the simpler functions generally provide good matches to the limb darkening described by Hapke's function, but the lunar-Lambert function is superior when viewing angles are high and when (??) is less than 30??. Although a nonunique solution for the Minnaert function at high phase angles has been described for smooth surfaces, the discrepancy decreases with increasing (??) and virtually disappears when (??) reaches 30?? to 40??. The variation in limb darkening with w and g, pronounced for smooth surfaces, is reduced or eliminated when the Hapke parameters are in the range typical of most planetary surfaces; this result simplifies the problem of photoclinometry across terrains with variable surface materials. The Minnaert or lunar-Lambert fits to published Hapke models will give photoclinometric solutions that are very similar (>1?? slope discrepancy) to the Hapke-function solutions for nearly all of the bodies and terrains thus far modeled by Hapke's function. ?? 1991.

Measurements of long-range azimuthal anisotropies and associated Fourier coefficients for p p collisions at s = 5.02 and 13 TeV and p + Pb collisions at s NN = 5.02  TeV with the ATLAS detector

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2017-08-22

ATLAS measurements of two-particle correlations are presented formore » $$\\sqrt{s}$$ = 5.02 and 13 TeV pp collisions and for $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV p + Pb collisions at the LHC. The correlation functions are measured as a function of relative azimuthal angle Δφ, and pseudorapidity separation Δη, using charged particles detected within the pseudorapidity interval |η| < 2.5. Azimuthal modulation in the long-range component of the correlation function, with |Δη| > 2, is studied using a template fitting procedure to remove a "back-to-back" contribution to the correlation function that primarily arises from hard-scattering processes. In addition to the elliptic, cos(2Δφ), modulation observed in a previous measurement, the pp correlation functions exhibit significant cos(3Δφ) and cos(4Δφ) modulation. The Fourier coefficients v n,n associated with the cos(nΔφ) modulation of the correlation functions for n=2-4 are measured as a function of charged-particle multiplicity and charged-particle transverse momentum. The Fourier coefficients are observed to be compatible with cos(nφ) modulation of per-event single-particle azimuthal angle distributions. The single-particle Fourier coefficients v n are measured as a function of charged-particle multiplicity, and charged-particle transverse momentum for n=2-4. The integrated luminosities used in this analysis are, 64 nb -1 for the $$\\sqrt{s}$$ = 13 TeV pp data, 170 nb-1 for the $$\\sqrt{s}$$ = 5.02 TeV pp data, and 28 nb -1 for the $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV p+Pb data.« less

Measurements of long-range azimuthal anisotropies and associated Fourier coefficients for p p collisions at √{s }=5.02 and 13 TeV and p +Pb collisions at √{sNN}=5.02 TeV with the ATLAS detector

NASA Astrophysics Data System (ADS)

Aaboud, M.; Aad, G.; Abbott, B.; Abdallah, J.; Abdinov, O.; Abeloos, B.; Abouzeid, O. S.; Abraham, N. L.; Abramowicz, H.; Abreu, H.; Abreu, R.; Abulaiti, Y.; Acharya, B. S.; Adachi, S.; Adamczyk, L.; Adams, D. L.; Adelman, J.; Adomeit, S.; Adye, T.; Affolder, A. A.; Agatonovic-Jovin, T.; Aguilar-Saavedra, J. A.; Ahlen, S. P.; Ahmadov, F.; Aielli, G.; Akerstedt, H.; Åkesson, T. P. A.; Akimov, A. V.; Alberghi, G. L.; Albert, J.; Albrand, S.; Alconada Verzini, M. J.; Aleksa, M.; Aleksandrov, I. N.; Alexa, C.; Alexander, G.; Alexopoulos, T.; Alhroob, M.; Ali, B.; Aliev, M.; Alimonti, G.; Alison, J.; Alkire, S. P.; Allbrooke, B. M. M.; Allen, B. W.; Allport, P. P.; Aloisio, A.; Alonso, A.; Alonso, F.; Alpigiani, C.; Alshehri, A. A.; Alstaty, M.; Alvarez Gonzalez, B.; Álvarez Piqueras, D.; Alviggi, M. G.; Amadio, B. T.; Amaral Coutinho, Y.; Amelung, C.; Amidei, D.; Amor Dos Santos, S. P.; Amorim, A.; Amoroso, S.; Amundsen, G.; Anastopoulos, C.; Ancu, L. S.; Andari, N.; Andeen, T.; Anders, C. F.; Anders, J. K.; Anderson, K. J.; Andreazza, A.; Andrei, V.; Angelidakis, S.; Angelozzi, I.; Angerami, A.; Anghinolfi, F.; Anisenkov, A. V.; Anjos, N.; Annovi, A.; Antel, C.; Antonelli, M.; Antonov, A.; Antrim, D. J.; Anulli, F.; Aoki, M.; Aperio Bella, L.; Arabidze, G.; Arai, Y.; Araque, J. P.; Arce, A. T. H.; Arduh, F. A.; Arguin, J.-F.; Argyropoulos, S.; Arik, M.; Armbruster, A. J.; Armitage, L. J.; Arnaez, O.; Arnold, H.; Arratia, M.; Arslan, O.; Artamonov, A.; Artoni, G.; Artz, S.; Asai, S.; Asbah, N.; Ashkenazi, A.; Åsman, B.; Asquith, L.; Assamagan, K.; Astalos, R.; Atkinson, M.; Atlay, N. B.; Augsten, K.; Avolio, G.; Axen, B.; Ayoub, M. K.; Azuelos, G.; Baak, M. A.; Baas, A. E.; Baca, M. J.; Bachacou, H.; Bachas, K.; Backes, M.; Backhaus, M.; Bagiacchi, P.; Bagnaia, P.; Bai, Y.; Baines, J. T.; Bajic, M.; Baker, O. K.; Baldin, E. M.; Balek, P.; Balestri, T.; Balli, F.; Balunas, W. K.; Banas, E.; Banerjee, Sw.; Bannoura, A. A. E.; Barak, L.; Barberio, E. L.; Barberis, D.; Barbero, M.; Barillari, T.; Barisits, M.-S.; Barklow, T.; Barlow, N.; Barnes, S. L.; Barnett, B. M.; Barnett, R. M.; Barnovska-Blenessy, Z.; Baroncelli, A.; Barone, G.; Barr, A. J.; Barranco Navarro, L.; Barreiro, F.; Barreiro Guimarães da Costa, J.; Bartoldus, R.; Barton, A. E.; Bartos, P.; Basalaev, A.; Bassalat, A.; Bates, R. L.; Batista, S. J.; Batley, J. R.; Battaglia, M.; Bauce, M.; Bauer, F.; Bawa, H. S.; Beacham, J. B.; Beattie, M. D.; Beau, T.; Beauchemin, P. H.; Bechtle, P.; Beck, H. P.; Becker, K.; Becker, M.; Beckingham, M.; Becot, C.; Beddall, A. J.; Beddall, A.; Bednyakov, V. A.; Bedognetti, M.; Bee, C. P.; Beemster, L. J.; Beermann, T. A.; Begel, M.; Behr, J. K.; Bell, A. S.; Bella, G.; Bellagamba, L.; Bellerive, A.; Bellomo, M.; Belotskiy, K.; Beltramello, O.; Belyaev, N. L.; Benary, O.; Benchekroun, D.; Bender, M.; Bendtz, K.; Benekos, N.; Benhammou, Y.; Benhar Noccioli, E.; Benitez, J.; Benjamin, D. P.; Bensinger, J. R.; Bentvelsen, S.; Beresford, L.; Beretta, M.; Berge, D.; Bergeaas Kuutmann, E.; Berger, N.; Beringer, J.; Berlendis, S.; Bernard, N. R.; Bernius, C.; Bernlochner, F. U.; Berry, T.; Berta, P.; Bertella, C.; Bertoli, G.; Bertolucci, F.; Bertram, I. A.; Bertsche, C.; Bertsche, D.; Besjes, G. J.; Bessidskaia Bylund, O.; Bessner, M.; Besson, N.; Betancourt, C.; Bethani, A.; Bethke, S.; Bevan, A. J.; Bianchi, R. M.; Bianco, M.; Biebel, O.; Biedermann, D.; Bielski, R.; Biesuz, N. V.; Biglietti, M.; Bilbao de Mendizabal, J.; Billoud, T. R. V.; Bilokon, H.; Bindi, M.; Binet, S.; Bingul, A.; Bini, C.; Biondi, S.; Bisanz, T.; Bjergaard, D. M.; Black, C. W.; Black, J. E.; Black, K. M.; Blackburn, D.; Blair, R. E.; Blazek, T.; Bloch, I.; Blocker, C.; Blue, A.; Blum, W.; Blumenschein, U.; Blunier, S.; Bobbink, G. J.; Bobrovnikov, V. S.; Bocchetta, S. S.; Bocci, A.; Bock, C.; Boehler, M.; Boerner, D.; Bogaerts, J. A.; Bogavac, D.; Bogdanchikov, A. G.; Bohm, C.; Boisvert, V.; Bokan, P.; Bold, T.; Boldyrev, A. S.; Bomben, M.; Bona, M.; Boonekamp, M.; Borisov, A.; Borissov, G.; Bortfeldt, J.; Bortoletto, D.; Bortolotto, V.; Bos, K.; Boscherini, D.; Bosman, M.; Bossio Sola, J. D.; Boudreau, J.; Bouffard, J.; Bouhova-Thacker, E. V.; Boumediene, D.; Bourdarios, C.; Boutle, S. K.; Boveia, A.; Boyd, J.; Boyko, I. R.; Bracinik, J.; Brandt, A.; Brandt, G.; Brandt, O.; Bratzler, U.; Brau, B.; Brau, J. E.; Breaden Madden, W. D.; Brendlinger, K.; Brennan, A. J.; Brenner, L.; Brenner, R.; Bressler, S.; Bristow, T. M.; Britton, D.; Britzger, D.; Brochu, F. M.; Brock, I.; Brock, R.; Brooijmans, G.; Brooks, T.; Brooks, W. K.; Brosamer, J.; Brost, E.; Broughton, J. H.; Bruckman de Renstrom, P. A.; Bruncko, D.; Bruneliere, R.; Bruni, A.; Bruni, G.; Bruni, L. S.; Brunt, Bh; Bruschi, M.; Bruscino, N.; Bryant, P.; Bryngemark, L.; Buanes, T.; Buat, Q.; Buchholz, P.; Buckley, A. G.; Budagov, I. A.; Buehrer, F.; Bugge, M. K.; Bulekov, O.; Bullock, D.; Burckhart, H.; Burdin, S.; Burgard, C. D.; Burger, A. M.; Burghgrave, B.; Burka, K.; Burke, S.; Burmeister, I.; Burr, J. T. P.; Busato, E.; Büscher, D.; Büscher, V.; Bussey, P.; Butler, J. M.; Buttar, C. M.; Butterworth, J. M.; Butti, P.; Buttinger, W.; Buzatu, A.; Buzykaev, A. R.; Cabrera Urbán, S.; Caforio, D.; Cairo, V. M.; Cakir, O.; Calace, N.; Calafiura, P.; Calandri, A.; Calderini, G.; Calfayan, P.; Callea, G.; Caloba, L. P.; Calvente Lopez, S.; Calvet, D.; Calvet, S.; Calvet, T. P.; Camacho Toro, R.; Camarda, S.; Camarri, P.; Cameron, D.; Caminal Armadans, R.; Camincher, C.; Campana, S.; Campanelli, M.; Camplani, A.; Campoverde, A.; Canale, V.; Canepa, A.; Cano Bret, M.; Cantero, J.; Cao, T.; Capeans Garrido, M. D. M.; Caprini, I.; Caprini, M.; Capua, M.; Carbone, R. M.; Cardarelli, R.; Cardillo, F.; Carli, I.; Carli, T.; Carlino, G.; Carminati, L.; Carney, R. M. D.; Caron, S.; Carquin, E.; Carrillo-Montoya, G. D.; Carter, J. R.; Carvalho, J.; Casadei, D.; Casado, M. P.; Casolino, M.; Casper, D. W.; Castaneda-Miranda, E.; Castelijn, R.; Castelli, A.; Castillo Gimenez, V.; Castro, N. F.; Catinaccio, A.; Catmore, J. R.; Cattai, A.; Caudron, J.; Cavaliere, V.; Cavallaro, E.; Cavalli, D.; Cavalli-Sforza, M.; Cavasinni, V.; Ceradini, F.; Cerda Alberich, L.; Cerqueira, A. S.; Cerri, A.; Cerrito, L.; Cerutti, F.; Cervelli, A.; Cetin, S. A.; Chafaq, A.; Chakraborty, D.; Chan, S. K.; Chan, Y. L.; Chang, P.; Chapman, J. D.; Charlton, D. G.; Chatterjee, A.; Chau, C. C.; Chavez Barajas, C. A.; Che, S.; Cheatham, S.; Chegwidden, A.; Chekanov, S.; Chekulaev, S. V.; Chelkov, G. A.; Chelstowska, M. A.; Chen, C.; Chen, H.; Chen, S.; Chen, S.; Chen, X.; Chen, Y.; Cheng, H. C.; Cheng, H. J.; Cheng, Y.; Cheplakov, A.; Cheremushkina, E.; Cherkaoui El Moursli, R.; Chernyatin, V.; Cheu, E.; Chevalier, L.; Chiarella, V.; Chiarelli, G.; Chiodini, G.; Chisholm, A. S.; Chitan, A.; Chizhov, M. V.; Choi, K.; Chomont, A. R.; Chouridou, S.; Chow, B. K. B.; Christodoulou, V.; Chromek-Burckhart, D.; Chudoba, J.; Chuinard, A. J.; Chwastowski, J. J.; Chytka, L.; Ciapetti, G.; Ciftci, A. K.; Cinca, D.; Cindro, V.; Cioara, I. A.; Ciocca, C.; Ciocio, A.; Cirotto, F.; Citron, Z. H.; Citterio, M.; Ciubancan, M.; Clark, A.; Clark, B. L.; Clark, M. R.; Clark, P. J.; Clarke, R. N.; Clement, C.; Coadou, Y.; Cobal, M.; Coccaro, A.; Cochran, J.; Colasurdo, L.; Cole, B.; Colijn, A. P.; Collot, J.; Colombo, T.; Conde Muiño, P.; Coniavitis, E.; Connell, S. H.; Connelly, I. A.; Consorti, V.; Constantinescu, S.; Conti, G.; Conventi, F.; Cooke, M.; Cooper, B. D.; Cooper-Sarkar, A. M.; Cormier, F.; Cormier, K. J. R.; Cornelissen, T.; Corradi, M.; Corriveau, F.; Cortes-Gonzalez, A.; Cortiana, G.; Costa, G.; Costa, M. J.; Costanzo, D.; Cottin, G.; Cowan, G.; Cox, B. E.; Cranmer, K.; Crawley, S. J.; Cree, G.; Crépé-Renaudin, S.; Crescioli, F.; Cribbs, W. A.; Crispin Ortuzar, M.; Cristinziani, M.; Croft, V.; Crosetti, G.; Cueto, A.; Cuhadar Donszelmann, T.; Cummings, J.; Curatolo, M.; Cúth, J.; Czirr, H.; Czodrowski, P.; D'Amen, G.; D'Auria, S.; D'Onofrio, M.; da Cunha Sargedas de Sousa, M. J.; da Via, C.; Dabrowski, W.; Dado, T.; Dai, T.; Dale, O.; Dallaire, F.; Dallapiccola, C.; Dam, M.; Dandoy, J. R.; Dang, N. P.; Daniells, A. C.; Dann, N. S.; Danninger, M.; Dano Hoffmann, M.; Dao, V.; Darbo, G.; Darmora, S.; Dassoulas, J.; Dattagupta, A.; Davey, W.; David, C.; Davidek, T.; Davies, M.; Davison, P.; Dawe, E.; Dawson, I.; de, K.; de Asmundis, R.; de Benedetti, A.; de Castro, S.; de Cecco, S.; de Groot, N.; de Jong, P.; de la Torre, H.; de Lorenzi, F.; de Maria, A.; de Pedis, D.; de Salvo, A.; de Sanctis, U.; de Santo, A.; de Vivie de Regie, J. B.; Dearnaley, W. J.; Debbe, R.; Debenedetti, C.; Dedovich, D. V.; Dehghanian, N.; Deigaard, I.; Del Gaudio, M.; Del Peso, J.; Del Prete, T.; Delgove, D.; Deliot, F.; Delitzsch, C. M.; Dell'Acqua, A.; Dell'Asta, L.; Dell'Orso, M.; Della Pietra, M.; Della Volpe, D.; Delmastro, M.; Delsart, P. A.; Demarco, D. A.; Demers, S.; Demichev, M.; Demilly, A.; Denisov, S. P.; Denysiuk, D.; Derendarz, D.; Derkaoui, J. E.; Derue, F.; Dervan, P.; Desch, K.; Deterre, C.; Dette, K.; Deviveiros, P. O.; Dewhurst, A.; Dhaliwal, S.; di Ciaccio, A.; di Ciaccio, L.; di Clemente, W. K.; di Donato, C.; di Girolamo, A.; di Girolamo, B.; di Micco, B.; di Nardo, R.; di Petrillo, K. F.; di Simone, A.; di Sipio, R.; di Valentino, D.; Diaconu, C.; Diamond, M.; Dias, F. A.; Diaz, M. A.; Diehl, E. B.; Dietrich, J.; Díez Cornell, S.; Dimitrievska, A.; Dingfelder, J.; Dita, P.; Dita, S.; Dittus, F.; Djama, F.; Djobava, T.; Djuvsland, J. I.; Do Vale, M. A. B.; Dobos, D.; Dobre, M.; Doglioni, C.; Dolejsi, J.; Dolezal, Z.; Donadelli, M.; Donati, S.; Dondero, P.; Donini, J.; Dopke, J.; Doria, A.; Dova, M. T.; Doyle, A. T.; Drechsler, E.; Dris, M.; Du, Y.; Duarte-Campderros, J.; Duchovni, E.; Duckeck, G.; Ducu, O. A.; Duda, D.; Dudarev, A.; Dudder, A. Chr.; Duffield, E. M.; Duflot, L.; Dührssen, M.; Dumancic, M.; Duncan, A. K.; Dunford, M.; Duran Yildiz, H.; Düren, M.; Durglishvili, A.; Duschinger, D.; Dutta, B.; Dyndal, M.; Eckardt, C.; Ecker, K. M.; Edgar, R. C.; Edwards, N. C.; Eifert, T.; Eigen, G.; Einsweiler, K.; Ekelof, T.; El Kacimi, M.; Ellajosyula, V.; Ellert, M.; Elles, S.; Ellinghaus, F.; Elliot, A. A.; Ellis, N.; Elmsheuser, J.; Elsing, M.; Emeliyanov, D.; Enari, Y.; Endner, O. C.; Ennis, J. S.; Erdmann, J.; Ereditato, A.; Ernis, G.; Ernst, J.; Ernst, M.; Errede, S.; Ertel, E.; Escalier, M.; Esch, H.; Escobar, C.; Esposito, B.; Etienvre, A. I.; Etzion, E.; Evans, H.; Ezhilov, A.; Ezzi, M.; Fabbri, F.; Fabbri, L.; Facini, G.; Fakhrutdinov, R. M.; Falciano, S.; Falla, R. J.; Faltova, J.; Fang, Y.; Fanti, M.; Farbin, A.; Farilla, A.; Farina, C.; Farina, E. M.; Farooque, T.; Farrell, S.; Farrington, S. M.; Farthouat, P.; Fassi, F.; Fassnacht, P.; Fassouliotis, D.; Faucci Giannelli, M.; Favareto, A.; Fawcett, W. J.; Fayard, L.; Fedin, O. L.; Fedorko, W.; Feigl, S.; Feligioni, L.; Feng, C.; Feng, E. J.; Feng, H.; Fenyuk, A. B.; Feremenga, L.; Fernandez Martinez, P.; Fernandez Perez, S.; Ferrando, J.; Ferrari, A.; Ferrari, P.; Ferrari, R.; Ferreira de Lima, D. E.; Ferrer, A.; Ferrere, D.; Ferretti, C.; Fiedler, F.; Filipčič, A.; Filipuzzi, M.; Filthaut, F.; Fincke-Keeler, M.; Finelli, K. D.; Fiolhais, M. C. N.; Fiorini, L.; Fischer, A.; Fischer, C.; Fischer, J.; Fisher, W. C.; Flaschel, N.; Fleck, I.; Fleischmann, P.; Fletcher, G. T.; Fletcher, R. R. M.; Flick, T.; Flierl, B. M.; Flores Castillo, L. R.; Flowerdew, M. J.; Forcolin, G. T.; Formica, A.; Forti, A.; Foster, A. G.; Fournier, D.; Fox, H.; Fracchia, S.; Francavilla, P.; Franchini, M.; Francis, D.; Franconi, L.; Franklin, M.; Frate, M.; Fraternali, M.; Freeborn, D.; Fressard-Batraneanu, S. M.; Friedrich, F.; Froidevaux, D.; Frost, J. A.; Fukunaga, C.; Fullana Torregrosa, E.; Fusayasu, T.; Fuster, J.; Gabaldon, C.; Gabizon, O.; Gabrielli, A.; Gabrielli, A.; Gach, G. P.; Gadatsch, S.; Gagliardi, G.; Gagnon, L. G.; Gagnon, P.; Galea, C.; Galhardo, B.; Gallas, E. J.; Gallop, B. J.; Gallus, P.; Galster, G.; Gan, K. K.; Ganguly, S.; Gao, J.; Gao, Y.; Gao, Y. S.; Garay Walls, F. M.; García, C.; García Navarro, J. E.; Garcia-Sciveres, M.; Gardner, R. W.; Garelli, N.; Garonne, V.; Gascon Bravo, A.; Gasnikova, K.; Gatti, C.; Gaudiello, A.; Gaudio, G.; Gauthier, L.; Gavrilenko, I. L.; Gay, C.; Gaycken, G.; Gazis, E. N.; Gecse, Z.; Gee, C. N. P.; Geich-Gimbel, Ch.; Geisen, M.; Geisler, M. P.; Gellerstedt, K.; Gemme, C.; Genest, M. H.; Geng, C.; Gentile, S.; Gentsos, C.; George, S.; Gerbaudo, D.; Gershon, A.; Ghasemi, S.; Ghneimat, M.; Giacobbe, B.; Giagu, S.; Giannetti, P.; Gibson, S. M.; Gignac, M.; Gilchriese, M.; Gillam, T. P. S.; Gillberg, D.; Gilles, G.; Gingrich, D. M.; Giokaris, N.; Giordani, M. P.; Giorgi, F. M.; Giraud, P. F.; Giromini, P.; Giugni, D.; Giuli, F.; Giuliani, C.; Giulini, M.; Gjelsten, B. K.; Gkaitatzis, S.; Gkialas, I.; Gkougkousis, E. L.; Gladilin, L. K.; Glasman, C.; Glatzer, J.; Glaysher, P. C. F.; Glazov, A.; Goblirsch-Kolb, M.; Godlewski, J.; Goldfarb, S.; Golling, T.; Golubkov, D.; Gomes, A.; Gonçalo, R.; Goncalves Pinto Firmino da Costa, J.; Gonella, G.; Gonella, L.; Gongadze, A.; González de La Hoz, S.; Gonzalez-Sevilla, S.; Goossens, L.; Gorbounov, P. A.; Gordon, H. A.; Gorelov, I.; Gorini, B.; Gorini, E.; Gorišek, A.; Goshaw, A. T.; Gössling, C.; Gostkin, M. I.; Goudet, C. R.; Goujdami, D.; Goussiou, A. G.; Govender, N.; Gozani, E.; Graber, L.; Grabowska-Bold, I.; Gradin, P. O. J.; Grafström, P.; Gramling, J.; Gramstad, E.; Grancagnolo, S.; Gratchev, V.; Gravila, P. M.; Gray, H. M.; Graziani, E.; Greenwood, Z. D.; Grefe, C.; Gregersen, K.; Gregor, I. M.; Grenier, P.; Grevtsov, K.; Griffiths, J.; Grillo, A. A.; Grimm, K.; Grinstein, S.; Gris, Ph.; Grivaz, J.-F.; Groh, S.; Gross, E.; Grosse-Knetter, J.; Grossi, G. C.; Grout, Z. J.; Guan, L.; Guan, W.; Guenther, J.; Guescini, F.; Guest, D.; Gueta, O.; Gui, B.; Guido, E.; Guillemin, T.; Guindon, S.; Gul, U.; Gumpert, C.; Guo, J.; Guo, W.; Guo, Y.; Gupta, R.; Gupta, S.; Gustavino, G.; Gutierrez, P.; Gutierrez Ortiz, N. G.; Gutschow, C.; Guyot, C.; Gwenlan, C.; Gwilliam, C. B.; Haas, A.; Haber, C.; Hadavand, H. K.; Haddad, N.; Hadef, A.; Hageböck, S.; Hagihara, M.; Hakobyan, H.; Haleem, M.; Haley, J.; Halladjian, G.; Hallewell, G. D.; Hamacher, K.; Hamal, P.; Hamano, K.; Hamilton, A.; Hamity, G. N.; Hamnett, P. G.; Han, L.; Hanagaki, K.; Hanawa, K.; Hance, M.; Haney, B.; Hanke, P.; Hanna, R.; Hansen, J. B.; Hansen, J. D.; Hansen, M. C.; Hansen, P. H.; Hara, K.; Hard, A. S.; Harenberg, T.; Hariri, F.; Harkusha, S.; Harrington, R. D.; Harrison, P. F.; Hartjes, F.; Hartmann, N. M.; Hasegawa, M.; Hasegawa, Y.; Hasib, A.; Hassani, S.; Haug, S.; Hauser, R.; Hauswald, L.; Havranek, M.; Hawkes, C. M.; Hawkings, R. J.; Hayakawa, D.; Hayden, D.; Hays, C. P.; Hays, J. M.; Hayward, H. S.; Haywood, S. J.; Head, S. J.; Heck, T.; Hedberg, V.; Heelan, L.; Heim, S.; Heim, T.; Heinemann, B.; Heinrich, J. J.; Heinrich, L.; Heinz, C.; Hejbal, J.; Helary, L.; Hellman, S.; Helsens, C.; Henderson, J.; Henderson, R. C. W.; Heng, Y.; Henkelmann, S.; Henriques Correia, A. M.; Henrot-Versille, S.; Herbert, G. H.; Herde, H.; Herget, V.; Hernández Jiménez, Y.; Herten, G.; Hertenberger, R.; Hervas, L.; Hesketh, G. G.; Hessey, N. P.; Hetherly, J. W.; Higón-Rodriguez, E.; Hill, E.; Hill, J. C.; Hiller, K. H.; Hillier, S. J.; Hinchliffe, I.; Hines, E.; Hirose, M.; Hirschbuehl, D.; Hobbs, J.; Hod, N.; Hodgkinson, M. C.; Hodgson, P.; Hoecker, A.; Hoeferkamp, M. R.; Hoenig, F.; Hohn, D.; Holmes, T. R.; Homann, M.; Honda, T.; Hong, T. M.; Hooberman, B. H.; Hopkins, W. H.; Horii, Y.; Horton, A. J.; Hostachy, J.-Y.; Hou, S.; Hoummada, A.; Howarth, J.; Hoya, J.; Hrabovsky, M.; Hristova, I.; Hrivnac, J.; Hryn'ova, T.; Hrynevich, A.; Hsu, P. J.; Hsu, S.-C.; Hu, Q.; Hu, S.; Huang, Y.; Hubacek, Z.; Hubaut, F.; Huegging, F.; Huffman, T. B.; Hughes, E. W.; Hughes, G.; Huhtinen, M.; Huo, P.; Huseynov, N.; Huston, J.; Huth, J.; Iacobucci, G.; Iakovidis, G.; Ibragimov, I.; Iconomidou-Fayard, L.; Ideal, E.; Idrissi, Z.; Iengo, P.; Igonkina, O.; Iizawa, T.; Ikegami, Y.; Ikeno, M.; Ilchenko, Y.; Iliadis, D.; Ilic, N.; Introzzi, G.; Ioannou, P.; Iodice, M.; Iordanidou, K.; Ippolito, V.; Ishijima, N.; Ishino, M.; Ishitsuka, M.; Issever, C.; Istin, S.; Ito, F.; Iturbe Ponce, J. M.; Iuppa, R.; Iwasaki, H.; Izen, J. M.; Izzo, V.; Jabbar, S.; Jackson, B.; Jackson, P.; Jain, V.; Jakobi, K. B.; Jakobs, K.; Jakobsen, S.; Jakoubek, T.; Jamin, D. O.; Jana, D. K.; Jansky, R.; Janssen, J.; Janus, M.; Janus, P. A.; Jarlskog, G.; Javadov, N.; Javå¯Rek, T.; Jeanneau, F.; Jeanty, L.; Jejelava, J.; Jeng, G.-Y.; Jenni, P.; Jeske, C.; Jézéquel, S.; Ji, H.; Jia, J.; Jiang, H.; Jiang, Y.; Jiang, Z.; Jiggins, S.; Jimenez Pena, J.; Jin, S.; Jinaru, A.; Jinnouchi, O.; Jivan, H.; Johansson, P.; Johns, K. A.; Johnson, W. J.; Jon-And, K.; Jones, G.; Jones, R. W. L.; Jones, S.; Jones, T. J.; Jongmanns, J.; Jorge, P. M.; Jovicevic, J.; Ju, X.; Juste Rozas, A.; Köhler, M. K.; Kaczmarska, A.; Kado, M.; Kagan, H.; Kagan, M.; Kahn, S. J.; Kaji, T.; Kajomovitz, E.; Kalderon, C. W.; Kaluza, A.; Kama, S.; Kamenshchikov, A.; Kanaya, N.; Kaneti, S.; Kanjir, L.; Kantserov, V. A.; Kanzaki, J.; Kaplan, B.; Kaplan, L. S.; Kapliy, A.; Kar, D.; Karakostas, K.; Karamaoun, A.; Karastathis, N.; Kareem, M. J.; Karentzos, E.; Karnevskiy, M.; Karpov, S. N.; Karpova, Z. M.; Karthik, K.; Kartvelishvili, V.; Karyukhin, A. N.; Kasahara, K.; Kashif, L.; Kass, R. D.; Kastanas, A.; Kataoka, Y.; Kato, C.; Katre, A.; Katzy, J.; Kawade, K.; Kawagoe, K.; Kawamoto, T.; Kawamura, G.; Kazanin, V. F.; Keeler, R.; Kehoe, R.; Keller, J. S.; Kempster, J. J.; Keoshkerian, H.; Kepka, O.; Kerševan, B. P.; Kersten, S.; Keyes, R. A.; Khader, M.; Khalil-Zada, F.; Khanov, A.; Kharlamov, A. G.; Kharlamova, T.; Khoo, T. J.; Khovanskiy, V.; Khramov, E.; Khubua, J.; Kido, S.; Kilby, C. R.; Kim, H. Y.; Kim, S. H.; Kim, Y. K.; Kimura, N.; Kind, O. M.; King, B. T.; King, M.; Kirk, J.; Kiryunin, A. E.; Kishimoto, T.; Kisielewska, D.; Kiss, F.; Kiuchi, K.; Kivernyk, O.; Kladiva, E.; Klein, M. H.; Klein, M.; Klein, U.; Kleinknecht, K.; Klimek, P.; Klimentov, A.; Klingenberg, R.; Klioutchnikova, T.; Kluge, E.-E.; Kluit, P.; Kluth, S.; Knapik, J.; Kneringer, E.; Knoops, E. B. F. G.; Knue, A.; Kobayashi, A.; Kobayashi, D.; Kobayashi, T.; Kobel, M.; Kocian, M.; Kodys, P.; Koehler, N. M.; Koffas, T.; Koffeman, E.; Koi, T.; Kolanoski, H.; Kolb, M.; Koletsou, I.; Komar, A. A.; Komori, Y.; Kondo, T.; Kondrashova, N.; Köneke, K.; König, A. C.; Kono, T.; Konoplich, R.; Konstantinidis, N.; Kopeliansky, R.; Koperny, S.; Kopp, A. K.; Korcyl, K.; Kordas, K.; Korn, A.; Korol, A. A.; Korolkov, I.; Korolkova, E. V.; Kortner, O.; Kortner, S.; Kosek, T.; Kostyukhin, V. V.; Kotwal, A.; Koulouris, A.; Kourkoumeli-Charalampidi, A.; Kourkoumelis, C.; Kouskoura, V.; Kowalewska, A. B.; Kowalewski, R.; Kowalski, T. Z.; Kozakai, C.; Kozanecki, W.; Kozhin, A. S.; Kramarenko, V. A.; Kramberger, G.; Krasnopevtsev, D.; Krasny, M. W.; Krasznahorkay, A.; Kravchenko, A.; Kretz, M.; Kretzschmar, J.; Kreutzfeldt, K.; Krieger, P.; Krizka, K.; Kroeninger, K.; Kroha, H.; Kroll, J.; Kroseberg, J.; Krstic, J.; Kruchonak, U.; Krüger, H.; Krumnack, N.; Kruse, M. C.; Kruskal, M.; Kubota, T.; Kucuk, H.; Kuday, S.; Kuechler, J. T.; Kuehn, S.; Kugel, A.; Kuger, F.; Kuhl, T.; Kukhtin, V.; Kukla, R.; Kulchitsky, Y.; Kuleshov, S.; Kuna, M.; Kunigo, T.; Kupco, A.; Kurashige, H.; Kurchaninov, L. L.; Kurochkin, Y. A.; Kurth, M. G.; Kus, V.; Kuwertz, E. S.; Kuze, M.; Kvita, J.; Kwan, T.; Kyriazopoulos, D.; La Rosa, A.; La Rosa Navarro, J. L.; La Rotonda, L.; Lacasta, C.; Lacava, F.; Lacey, J.; Lacker, H.; Lacour, D.; Ladygin, E.; Lafaye, R.; Laforge, B.; Lagouri, T.; Lai, S.; Lammers, S.; Lampl, W.; Lançon, E.; Landgraf, U.; Landon, M. P. J.; Lanfermann, M. C.; Lang, V. S.; Lange, J. C.; Lankford, A. J.; Lanni, F.; Lantzsch, K.; Lanza, A.; Laplace, S.; Lapoire, C.; Laporte, J. F.; Lari, T.; Lasagni Manghi, F.; Lassnig, M.; Laurelli, P.; Lavrijsen, W.; Law, A. T.; Laycock, P.; Lazovich, T.; Lazzaroni, M.; Le, B.; Le Dortz, O.; Le Guirriec, E.; Le Quilleuc, E. P.; Leblanc, M.; Lecompte, T.; Ledroit-Guillon, F.; Lee, C. A.; Lee, S. C.; Lee, L.; Lefebvre, B.; Lefebvre, G.; Lefebvre, M.; Legger, F.; Leggett, C.; Lehan, A.; Lehmann Miotto, G.; Lei, X.; Leight, W. A.; Leister, A. G.; Leite, M. A. L.; Leitner, R.; Lellouch, D.; Lemmer, B.; Leney, K. J. C.; Lenz, T.; Lenzi, B.; Leone, R.; Leone, S.; Leonidopoulos, C.; Leontsinis, S.; Lerner, G.; Leroy, C.; Lesage, A. A. J.; Lester, C. G.; Levchenko, M.; Levêque, J.; Levin, D.; Levinson, L. J.; Levy, M.; Lewis, D.; Leyton, M.; Li, B.; Li, C.; Li, H.; Li, L.; Li, L.; Li, Q.; Li, S.; Li, X.; Li, Y.; Liang, Z.; Liberti, B.; Liblong, A.; Lichard, P.; Lie, K.; Liebal, J.; Liebig, W.; Limosani, A.; Lin, S. C.; Lin, T. H.; Lindquist, B. E.; Lionti, A. E.; Lipeles, E.; Lipniacka, A.; Lisovyi, M.; Liss, T. M.; Lister, A.; Litke, A. M.; Liu, B.; Liu, D.; Liu, H.; Liu, H.; Liu, J.; Liu, J. B.; Liu, K.; Liu, L.; Liu, M.; Liu, Y. L.; Liu, Y.; Livan, M.; Lleres, A.; Llorente Merino, J.; Lloyd, S. L.; Lo Sterzo, F.; Lobodzinska, E. M.; Loch, P.; Loebinger, F. K.; Loew, K. M.; Loginov, A.; Lohse, T.; Lohwasser, K.; Lokajicek, M.; Long, B. A.; Long, J. D.; Long, R. E.; Longo, L.; Looper, K. A.; López, J. A.; Lopez Mateos, D.; Lopez Paredes, B.; Lopez Paz, I.; Lopez Solis, A.; Lorenz, J.; Lorenzo Martinez, N.; Losada, M.; Lösel, P. J.; Lou, X.; Lounis, A.; Love, J.; Love, P. A.; Lu, H.; Lu, N.; Lubatti, H. J.; Luci, C.; Lucotte, A.; Luedtke, C.; Luehring, F.; Lukas, W.; Luminari, L.; Lundberg, O.; Lund-Jensen, B.; Luzi, P. M.; Lynn, D.; Lysak, R.; Lytken, E.; Lyubushkin, V.; Ma, H.; Ma, L. L.; Ma, Y.; Maccarrone, G.; Macchiolo, A.; MacDonald, C. M.; Maček, B.; Machado Miguens, J.; Madaffari, D.; Madar, R.; Maddocks, H. J.; Mader, W. F.; Madsen, A.; Maeda, J.; Maeland, S.; Maeno, T.; Maevskiy, A.; Magradze, E.; Mahlstedt, J.; Maiani, C.; Maidantchik, C.; Maier, A. A.; Maier, T.; Maio, A.; Majewski, S.; Makida, Y.; Makovec, N.; Malaescu, B.; Malecki, Pa.; Maleev, V. P.; Malek, F.; Mallik, U.; Malon, D.; Malone, C.; Maltezos, S.; Malyukov, S.; Mamuzic, J.; Mancini, G.; Mandelli, L.; Mandić, I.; Maneira, J.; Manhaes de Andrade Filho, L.; Manjarres Ramos, J.; Mann, A.; Manousos, A.; Mansoulie, B.; Mansour, J. D.; Mantifel, R.; Mantoani, M.; Manzoni, S.; Mapelli, L.; Marceca, G.; March, L.; Marchiori, G.; Marcisovsky, M.; Marjanovic, M.; Marley, D. E.; Marroquim, F.; Marsden, S. P.; Marshall, Z.; Marti-Garcia, S.; Martin, B.; Martin, T. A.; Martin, V. J.; Martin Dit Latour, B.; Martinez, M.; Martinez Outschoorn, V. I.; Martin-Haugh, S.; Martoiu, V. S.; Martyniuk, A. C.; Marzin, A.; Masetti, L.; Mashimo, T.; Mashinistov, R.; Masik, J.; Maslennikov, A. L.; Massa, I.; Massa, L.; Mastrandrea, P.; Mastroberardino, A.; Masubuchi, T.; Mättig, P.; Mattmann, J.; Maurer, J.; Maxfield, S. J.; Maximov, D. A.; Mazini, R.; Maznas, I.; Mazza, S. M.; Mc Fadden, N. C.; Mc Goldrick, G.; Mc Kee, S. P.; McCarn, A.; McCarthy, R. L.; McCarthy, T. G.; McClymont, L. I.; McDonald, E. F.; McFayden, J. A.; McHedlidze, G.; McMahon, S. J.; McPherson, R. A.; Medinnis, M.; Meehan, S.; Mehlhase, S.; Mehta, A.; Meier, K.; Meineck, C.; Meirose, B.; Melini, D.; Mellado Garcia, B. R.; Melo, M.; Meloni, F.; Meng, L.; Meng, X.; Mengarelli, A.; Menke, S.; Meoni, E.; Mergelmeyer, S.; Mermod, P.; Merola, L.; Meroni, C.; Merritt, F. S.; Messina, A.; Metcalfe, J.; Mete, A. S.; Meyer, C.; Meyer, C.; Meyer, J.-P.; Meyer, J.; Meyer Zu Theenhausen, H.; Miano, F.; Middleton, R. P.; Miglioranzi, S.; Mijović, L.; Mikenberg, G.; Mikestikova, M.; Mikuž, M.; Milesi, M.; Milic, A.; Miller, D. W.; Mills, C.; Milov, A.; Milstead, D. A.; Minaenko, A. A.; Minami, Y.; Minashvili, I. A.; Mincer, A. I.; Mindur, B.; Mineev, M.; Minegishi, Y.; Ming, Y.; Mir, L. M.; Mistry, K. P.; Mitani, T.; Mitrevski, J.; Mitsou, V. A.; Miucci, A.; Miyagawa, P. S.; Mizukami, A.; Mjörnmark, J. U.; Mlynarikova, M.; Moa, T.; Mochizuki, K.; Mogg, P.; Mohapatra, S.; Molander, S.; Moles-Valls, R.; Monden, R.; Mondragon, M. C.; Mönig, K.; Monk, J.; Monnier, E.; Montalbano, A.; Montejo Berlingen, J.; Monticelli, F.; Monzani, S.; Moore, R. W.; Morange, N.; Moreno, D.; Moreno Llácer, M.; Morettini, P.; Morgenstern, S.; Mori, D.; Mori, T.; Morii, M.; Morinaga, M.; Morisbak, V.; Moritz, S.; Morley, A. K.; Mornacchi, G.; Morris, J. D.; Mortensen, S. S.; Morvaj, L.; Moschovakos, P.; Mosidze, M.; Moss, H. J.; Moss, J.; Motohashi, K.; Mount, R.; Mountricha, E.; Moyse, E. J. W.; Muanza, S.; Mudd, R. D.; Mueller, F.; Mueller, J.; Mueller, R. S. P.; Mueller, T.; Muenstermann, D.; Mullen, P.; Mullier, G. A.; Munoz Sanchez, F. J.; Murillo Quijada, J. A.; Murray, W. J.; Musheghyan, H.; Muškinja, M.; Myagkov, A. G.; Myska, M.; Nachman, B. P.; Nackenhorst, O.; Nagai, K.; Nagai, R.; Nagano, K.; Nagasaka, Y.; Nagata, K.; Nagel, M.; Nagy, E.; Nairz, A. M.; Nakahama, Y.; Nakamura, K.; Nakamura, T.; Nakano, I.; Naranjo Garcia, R. F.; Narayan, R.; Narrias Villar, D. I.; Naryshkin, I.; Naumann, T.; Navarro, G.; Nayyar, R.; Neal, H. A.; Nechaeva, P. Yu.; Neep, T. J.; Negri, A.; Negrini, M.; Nektarijevic, S.; Nellist, C.; Nelson, A.; Nemecek, S.; Nemethy, P.; Nepomuceno, A. A.; Nessi, M.; Neubauer, M. S.; Neumann, M.; Neves, R. M.; Nevski, P.; Newman, P. R.; Nguyen, D. H.; Nguyen Manh, T.; Nickerson, R. B.; Nicolaidou, R.; Nielsen, J.; Nikolaenko, V.; Nikolic-Audit, I.; Nikolopoulos, K.; Nilsen, J. K.; Nilsson, P.; Ninomiya, Y.; Nisati, A.; Nisius, R.; Nobe, T.; Nomachi, M.; Nomidis, I.; Nooney, T.; Norberg, S.; Nordberg, M.; Norjoharuddeen, N.; Novgorodova, O.; Nowak, S.; Nozaki, M.; Nozka, L.; Ntekas, K.; Nurse, E.; Nuti, F.; O'Grady, F.; O'Neil, D. C.; O'Rourke, A. A.; O'Shea, V.; Oakham, F. G.; Oberlack, H.; Obermann, T.; Ocariz, J.; Ochi, A.; Ochoa, I.; Ochoa-Ricoux, J. P.; Oda, S.; Odaka, S.; Ogren, H.; Oh, A.; Oh, S. H.; Ohm, C. C.; Ohman, H.; Oide, H.; Okawa, H.; Okumura, Y.; Okuyama, T.; Olariu, A.; Oleiro Seabra, L. F.; Olivares Pino, S. A.; Oliveira Damazio, D.; Olszewski, A.; Olszowska, J.; Onofre, A.; Onogi, K.; Onyisi, P. U. E.; Oreglia, M. J.; Oren, Y.; Orestano, D.; Orlando, N.; Orr, R. S.; Osculati, B.; Ospanov, R.; Otero Y Garzon, G.; Otono, H.; Ouchrif, M.; Ould-Saada, F.; Ouraou, A.; Oussoren, K. P.; Ouyang, Q.; Owen, M.; Owen, R. E.; Ozcan, V. E.; Ozturk, N.; Pachal, K.; Pacheco Pages, A.; Pacheco Rodriguez, L.; Padilla Aranda, C.; Pagáčová, M.; Pagan Griso, S.; Paganini, M.; Paige, F.; Pais, P.; Pajchel, K.; Palacino, G.; Palazzo, S.; Palestini, S.; Palka, M.; Pallin, D.; Panagiotopoulou, E. St.; Pandini, C. E.; Panduro Vazquez, J. G.; Pani, P.; Panitkin, S.; Pantea, D.; Paolozzi, L.; Papadopoulou, Th. D.; Papageorgiou, K.; Paramonov, A.; Paredes Hernandez, D.; Parker, A. J.; Parker, M. A.; Parker, K. A.; Parodi, F.; Parsons, J. A.; Parzefall, U.; Pascuzzi, V. R.; Pasqualucci, E.; Passaggio, S.; Pastore, Fr.; Pásztor, G.; Pataraia, S.; Pater, J. R.; Pauly, T.; Pearce, J.; Pearson, B.; Pedersen, L. E.; Pedersen, M.; Pedraza Lopez, S.; Pedro, R.; Peleganchuk, S. V.; Penc, O.; Peng, C.; Peng, H.; Penwell, J.; Peralva, B. S.; Perego, M. M.; Perepelitsa, D. V.; Perez Codina, E.; Perini, L.; Pernegger, H.; Perrella, S.; Peschke, R.; Peshekhonov, V. D.; Peters, K.; Peters, R. F. Y.; Petersen, B. A.; Petersen, T. C.; Petit, E.; Petridis, A.; Petridou, C.; Petroff, P.; Petrolo, E.; Petrov, M.; Petrucci, F.; Pettersson, N. E.; Peyaud, A.; Pezoa, R.; Phillips, P. W.; Piacquadio, G.; Pianori, E.; Picazio, A.; Piccaro, E.; Piccinini, M.; Pickering, M. A.; Piegaia, R.; Pilcher, J. E.; Pilkington, A. D.; Pin, A. W. J.; Pinamonti, M.; Pinfold, J. L.; Pingel, A.; Pires, S.; Pirumov, H.; Pitt, M.; Plazak, L.; Pleier, M.-A.; Pleskot, V.; Plotnikova, E.; Pluth, D.; Poettgen, R.; Poggioli, L.; Pohl, D.; Polesello, G.; Poley, A.; Policicchio, A.; Polifka, R.; Polini, A.; Pollard, C. S.; Polychronakos, V.; Pommès, K.; Pontecorvo, L.; Pope, B. G.; Popeneciu, G. A.; Poppleton, A.; Pospisil, S.; Potamianos, K.; Potrap, I. N.; Potter, C. J.; Potter, C. T.; Poulard, G.; Poveda, J.; Pozdnyakov, V.; Pozo Astigarraga, M. E.; Pralavorio, P.; Pranko, A.; Prell, S.; Price, D.; Price, L. E.; Primavera, M.; Prince, S.; Prokofiev, K.; Prokoshin, F.; Protopopescu, S.; Proudfoot, J.; Przybycien, M.; Puddu, D.; Purohit, M.; Puzo, P.; Qian, J.; Qin, G.; Qin, Y.; Quadt, A.; Quayle, W. B.; Queitsch-Maitland, M.; Quilty, D.; Raddum, S.; Radeka, V.; Radescu, V.; Radhakrishnan, S. K.; Radloff, P.; Rados, P.; Ragusa, F.; Rahal, G.; Raine, J. A.; Rajagopalan, S.; Rammensee, M.; Rangel-Smith, C.; Ratti, M. G.; Rauch, D. M.; Rauscher, F.; Rave, S.; Ravenscroft, T.; Ravinovich, I.; Raymond, M.; Read, A. L.; Readioff, N. P.; Reale, M.; Rebuzzi, D. M.; Redelbach, A.; Redlinger, G.; Reece, R.; Reed, R. G.; Reeves, K.; Rehnisch, L.; Reichert, J.; Reiss, A.; Rembser, C.; Ren, H.; Rescigno, M.; Resconi, S.; Rezanova, O. L.; Reznicek, P.; Rezvani, R.; Richter, R.; Richter, S.; Richter-Was, E.; Ricken, O.; Ridel, M.; Rieck, P.; Riegel, C. J.; Rieger, J.; Rifki, O.; Rijssenbeek, M.; Rimoldi, A.; Rimoldi, M.; Rinaldi, L.; Ristić, B.; Ritsch, E.; Riu, I.; Rizatdinova, F.; Rizvi, E.; Rizzi, C.; Robertson, S. H.; Robichaud-Veronneau, A.; Robinson, D.; Robinson, J. E. M.; Robson, A.; Roda, C.; Rodina, Y.; Rodriguez Perez, A.; Rodriguez Rodriguez, D.; Roe, S.; Rogan, C. S.; Røhne, O.; Roloff, J.; Romaniouk, A.; Romano, M.; Romano Saez, S. M.; Romero Adam, E.; Rompotis, N.; Ronzani, M.; Roos, L.; Ros, E.; Rosati, S.; Rosbach, K.; Rose, P.; Rosien, N.-A.; Rossetti, V.; Rossi, E.; Rossi, L. P.; Rosten, J. H. N.; Rosten, R.; Rotaru, M.; Roth, I.; Rothberg, J.; Rousseau, D.; Rozanov, A.; Rozen, Y.; Ruan, X.; Rubbo, F.; Rudolph, M. S.; Rühr, F.; Ruiz-Martinez, A.; Rurikova, Z.; Rusakovich, N. A.; Ruschke, A.; Russell, H. L.; Rutherfoord, J. P.; Ruthmann, N.; Ryabov, Y. F.; Rybar, M.; Rybkin, G.; Ryu, S.; Ryzhov, A.; Rzehorz, G. F.; Saavedra, A. F.; Sabato, G.; Sacerdoti, S.; Sadrozinski, H. F.-W.; Sadykov, R.; Safai Tehrani, F.; Saha, P.; Sahinsoy, M.; Saimpert, M.; Saito, T.; Sakamoto, H.; Sakurai, Y.; Salamanna, G.; Salamon, A.; Salazar Loyola, J. E.; Salek, D.; Sales de Bruin, P. H.; Salihagic, D.; Salnikov, A.; Salt, J.; Salvatore, D.; Salvatore, F.; Salvucci, A.; Salzburger, A.; Sammel, D.; Sampsonidis, D.; Sánchez, J.; Sanchez Martinez, V.; Sanchez Pineda, A.; Sandaker, H.; Sandbach, R. L.; Sandhoff, M.; Sandoval, C.; Sankey, D. P. C.; Sannino, M.; Sansoni, A.; Santoni, C.; Santonico, R.; Santos, H.; Santoyo Castillo, I.; Sapp, K.; Sapronov, A.; Saraiva, J. G.; Sarrazin, B.; Sasaki, O.; Sato, K.; Sauvan, E.; Savage, G.; Savard, P.; Savic, N.; Sawyer, C.; Sawyer, L.; Saxon, J.; Sbarra, C.; Sbrizzi, A.; Scanlon, T.; Scannicchio, D. A.; Scarcella, M.; Scarfone, V.; Schaarschmidt, J.; Schacht, P.; Schachtner, B. M.; Schaefer, D.; Schaefer, L.; Schaefer, R.; Schaeffer, J.; Schaepe, S.; Schaetzel, S.; Schäfer, U.; Schaffer, A. C.; Schaile, D.; Schamberger, R. D.; Scharf, V.; Schegelsky, V. A.; Scheirich, D.; Schernau, M.; Schiavi, C.; Schier, S.; Schillo, C.; Schioppa, M.; Schlenker, S.; Schmidt-Sommerfeld, K. R.; Schmieden, K.; Schmitt, C.; Schmitt, S.; Schmitz, S.; Schneider, B.; Schnoor, U.; Schoeffel, L.; Schoening, A.; Schoenrock, B. D.; Schopf, E.; Schott, M.; Schouwenberg, J. F. P.; Schovancova, J.; Schramm, S.; Schreyer, M.; Schuh, N.; Schulte, A.; Schultens, M. J.; Schultz-Coulon, H.-C.; Schulz, H.; Schumacher, M.; Schumm, B. A.; Schune, Ph.; Schwartzman, A.; Schwarz, T. A.; Schweiger, H.; Schwemling, Ph.; Schwienhorst, R.; Schwindling, J.; Schwindt, T.; Sciolla, G.; Scuri, F.; Scutti, F.; Searcy, J.; Seema, P.; Seidel, S. C.; Seiden, A.; Seifert, F.; Seixas, J. M.; Sekhniaidze, G.; Sekhon, K.; Sekula, S. J.; Seliverstov, D. M.; Semprini-Cesari, N.; Serfon, C.; Serin, L.; Serkin, L.; Sessa, M.; Seuster, R.; Severini, H.; Sfiligoj, T.; Sforza, F.; Sfyrla, A.; Shabalina, E.; Shaikh, N. W.; Shan, L. Y.; Shang, R.; Shank, J. T.; Shapiro, M.; Shatalov, P. B.; Shaw, K.; Shaw, S. M.; Shcherbakova, A.; Shehu, C. Y.; Sherwood, P.; Shi, L.; Shimizu, S.; Shimmin, C. O.; Shimojima, M.; Shirabe, S.; Shiyakova, M.; Shmeleva, A.; Shoaleh Saadi, D.; Shochet, M. J.; Shojaii, S.; Shope, D. R.; Shrestha, S.; Shulga, E.; Shupe, M. A.; Sicho, P.; Sickles, A. M.; Sidebo, P. E.; Sideras Haddad, E.; Sidiropoulou, O.; Sidorov, D.; Sidoti, A.; Siegert, F.; Sijacki, Dj.; Silva, J.; Silverstein, S. B.; Simak, V.; Simic, Lj.; Simion, S.; Simioni, E.; Simmons, B.; Simon, D.; Simon, M.; Sinervo, P.; Sinev, N. B.; Sioli, M.; Siragusa, G.; Sivoklokov, S. Yu.; Sjölin, J.; Skinner, M. B.; Skottowe, H. P.; Skubic, P.; Slater, M.; Slavicek, T.; Slawinska, M.; Sliwa, K.; Slovak, R.; Smakhtin, V.; Smart, B. H.; Smestad, L.; Smiesko, J.; Smirnov, S. Yu.; Smirnov, Y.; Smirnova, L. N.; Smirnova, O.; Smith, J. W.; Smith, M. N. K.; Smith, R. W.; Smizanska, M.; Smolek, K.; Snesarev, A. A.; Snyder, I. M.; Snyder, S.; Sobie, R.; Socher, F.; Soffer, A.; Soh, D. A.; Sokhrannyi, G.; Solans Sanchez, C. A.; Solar, M.; Soldatov, E. Yu.; Soldevila, U.; Solodkov, A. A.; Soloshenko, A.; Solovyanov, O. V.; Solovyev, V.; Sommer, P.; Son, H.; Song, H. Y.; Sood, A.; Sopczak, A.; Sopko, V.; Sorin, V.; Sosa, D.; Sotiropoulou, C. L.; Soualah, R.; Soukharev, A. M.; South, D.; Sowden, B. C.; Spagnolo, S.; Spalla, M.; Spangenberg, M.; Spanò, F.; Sperlich, D.; Spettel, F.; Spighi, R.; Spigo, G.; Spiller, L. A.; Spousta, M.; St. Denis, R. D.; Stabile, A.; Stamen, R.; Stamm, S.; Stanecka, E.; Stanek, R. W.; Stanescu, C.; Stanescu-Bellu, M.; Stanitzki, M. M.; Stapnes, S.; Starchenko, E. A.; Stark, G. H.; Stark, J.; Staroba, P.; Starovoitov, P.; Stärz, S.; Staszewski, R.; Steinberg, P.; Stelzer, B.; Stelzer, H. J.; Stelzer-Chilton, O.; Stenzel, H.; Stewart, G. A.; Stillings, J. A.; Stockton, M. C.; Stoebe, M.; Stoicea, G.; Stolte, P.; Stonjek, S.; Stradling, A. R.; Straessner, A.; Stramaglia, M. E.; Strandberg, J.; Strandberg, S.; Strandlie, A.; Strauss, M.; Strizenec, P.; Ströhmer, R.; Strom, D. M.; Stroynowski, R.; Strubig, A.; Stucci, S. A.; Stugu, B.; Styles, N. A.; Su, D.; Su, J.; Suchek, S.; Sugaya, Y.; Suk, M.; Sulin, V. V.; Sultansoy, S.; Sumida, T.; Sun, S.; Sun, X.; Sundermann, J. E.; Suruliz, K.; Suster, C. J. E.; Sutton, M. R.; Suzuki, S.; Svatos, M.; Swiatlowski, M.; Swift, S. P.; Sykora, I.; Sykora, T.; Ta, D.; Tackmann, K.; Taenzer, J.; Taffard, A.; Tafirout, R.; Taiblum, N.; Takai, H.; Takashima, R.; Takeshita, T.; Takubo, Y.; Talby, M.; Talyshev, A. A.; Tanaka, J.; Tanaka, M.; Tanaka, R.; Tanaka, S.; Tanioka, R.; Tannenwald, B. B.; Tapia Araya, S.; Tapprogge, S.; Tarem, S.; Tartarelli, G. F.; Tas, P.; Tasevsky, M.; Tashiro, T.; Tassi, E.; Tavares Delgado, A.; Tayalati, Y.; Taylor, A. C.; Taylor, G. N.; Taylor, P. T. E.; Taylor, W.; Teischinger, F. A.; Teixeira-Dias, P.; Temming, K. K.; Temple, D.; Ten Kate, H.; Teng, P. K.; Teoh, J. J.; Tepel, F.; Terada, S.; Terashi, K.; Terron, J.; Terzo, S.; Testa, M.; Teuscher, R. J.; Theveneaux-Pelzer, T.; Thomas, J. P.; Thomas-Wilsker, J.; Thompson, P. D.; Thompson, A. S.; Thomsen, L. A.; Thomson, E.; Tibbetts, M. J.; Ticse Torres, R. E.; Tikhomirov, V. O.; Tikhonov, Yu. A.; Timoshenko, S.; Tipton, P.; Tisserant, S.; Todome, K.; Todorov, T.; Todorova-Nova, S.; Tojo, J.; Tokár, S.; Tokushuku, K.; Tolley, E.; Tomlinson, L.; Tomoto, M.; Tompkins, L.; Toms, K.; Tong, B.; Tornambe, P.; Torrence, E.; Torres, H.; Torró Pastor, E.; Toth, J.; Touchard, F.; Tovey, D. R.; Trefzger, T.; Tricoli, A.; Trigger, I. M.; Trincaz-Duvoid, S.; Tripiana, M. F.; Trischuk, W.; Trocmé, B.; Trofymov, A.; Troncon, C.; Trottier-McDonald, M.; Trovatelli, M.; Truong, L.; Trzebinski, M.; Trzupek, A.; Tseng, J. C.-L.; Tsiareshka, P. V.; Tsipolitis, G.; Tsirintanis, N.; Tsiskaridze, S.; Tsiskaridze, V.; Tskhadadze, E. G.; Tsui, K. M.; Tsukerman, I. I.; Tsulaia, V.; Tsuno, S.; Tsybychev, D.; Tu, Y.; Tudorache, A.; Tudorache, V.; Tulbure, T. T.; Tuna, A. N.; Tupputi, S. A.; Turchikhin, S.; Turgeman, D.; Turk Cakir, I.; Turra, R.; Tuts, P. M.; Ucchielli, G.; Ueda, I.; Ughetto, M.; Ukegawa, F.; Unal, G.; Undrus, A.; Unel, G.; Ungaro, F. C.; Unno, Y.; Unverdorben, C.; Urban, J.; Urquijo, P.; Urrejola, P.; Usai, G.; Usui, J.; Vacavant, L.; Vacek, V.; Vachon, B.; Valderanis, C.; Valdes Santurio, E.; Valencic, N.; Valentinetti, S.; Valero, A.; Valery, L.; Valkar, S.; Valls Ferrer, J. A.; van den Wollenberg, W.; van der Deijl, P. C.; van der Graaf, H.; van Eldik, N.; van Gemmeren, P.; van Nieuwkoop, J.; van Vulpen, I.; van Woerden, M. C.; Vanadia, M.; Vandelli, W.; Vanguri, R.; Vaniachine, A.; Vankov, P.; Vardanyan, G.; Vari, R.; Varnes, E. W.; Varol, T.; Varouchas, D.; Vartapetian, A.; Varvell, K. E.; Vasquez, J. G.; Vasquez, G. A.; Vazeille, F.; Vazquez Schroeder, T.; Veatch, J.; Veeraraghavan, V.; Veloce, L. M.; Veloso, F.; Veneziano, S.; Ventura, A.; Venturi, M.; Venturi, N.; Venturini, A.; Vercesi, V.; Verducci, M.; Verkerke, W.; Vermeulen, J. C.; Vest, A.; Vetterli, M. C.; Viazlo, O.; Vichou, I.; Vickey, T.; Vickey Boeriu, O. E.; Viehhauser, G. H. A.; Viel, S.; Vigani, L.; Villa, M.; Villaplana Perez, M.; Vilucchi, E.; Vincter, M. G.; Vinogradov, V. B.; Vittori, C.; Vivarelli, I.; Vlachos, S.; Vlasak, M.; Vogel, M.; Vokac, P.; Volpi, G.; Volpi, M.; von der Schmitt, H.; von Toerne, E.; Vorobel, V.; Vorobev, K.; Vos, M.; Voss, R.; Vossebeld, J. H.; Vranjes, N.; Vranjes Milosavljevic, M.; Vrba, V.; Vreeswijk, M.; Vuillermet, R.; Vukotic, I.; Wagner, P.; Wagner, W.; Wahlberg, H.; Wahrmund, S.; Wakabayashi, J.; Walder, J.; Walker, R.; Walkowiak, W.; Wallangen, V.; Wang, C.; Wang, C.; Wang, F.; Wang, H.; Wang, H.; Wang, J.; Wang, J.; Wang, K.; Wang, R.; Wang, S. M.; Wang, T.; Wang, W.; Wanotayaroj, C.; Warburton, A.; Ward, C. P.; Wardrope, D. R.; Washbrook, A.; Watkins, P. M.; Watson, A. T.; Watson, M. F.; Watts, G.; Watts, S.; Waugh, B. M.; Webb, S.; Weber, M. S.; Weber, S. W.; Weber, S. A.; Webster, J. S.; Weidberg, A. R.; Weinert, B.; Weingarten, J.; Weiser, C.; Weits, H.; Wells, P. S.; Wenaus, T.; Wengler, T.; Wenig, S.; Wermes, N.; Werner, M. D.; Werner, P.; Wessels, M.; Wetter, J.; Whalen, K.; Whallon, N. L.; Wharton, A. M.; White, A.; White, M. J.; White, R.; Whiteson, D.; Wickens, F. J.; Wiedenmann, W.; Wielers, M.; Wiglesworth, C.; Wiik-Fuchs, L. A. M.; Wildauer, A.; Wilk, F.; Wilkens, H. G.; Williams, H. H.; Williams, S.; Willis, C.; Willocq, S.; Wilson, J. A.; Wingerter-Seez, I.; Winklmeier, F.; Winston, O. J.; Winter, B. T.; Wittgen, M.; Wolf, T. M. H.; Wolff, R.; Wolter, M. W.; Wolters, H.; Worm, S. D.; Wosiek, B. K.; Wotschack, J.; Woudstra, M. J.; Wozniak, K. W.; Wu, M.; Wu, M.; Wu, S. L.; Wu, X.; Wu, Y.; Wyatt, T. R.; Wynne, B. M.; Xella, S.; Xi, Z.; Xu, D.; Xu, L.; Yabsley, B.; Yacoob, S.; Yamaguchi, D.; Yamaguchi, Y.; Yamamoto, A.; Yamamoto, S.; Yamanaka, T.; Yamauchi, K.; Yamazaki, Y.; Yan, Z.; Yang, H.; Yang, H.; Yang, Y.; Yang, Z.; Yao, W.-M.; Yap, Y. C.; Yasu, Y.; Yatsenko, E.; Yau Wong, K. H.; Ye, J.; Ye, S.; Yeletskikh, I.; Yildirim, E.; Yorita, K.; Yoshida, R.; Yoshihara, K.; Young, C.; Young, C. J. S.; Youssef, S.; Yu, D. R.; Yu, J.; Yu, J. M.; Yu, J.; Yuan, L.; Yuen, S. P. Y.; Yusuff, I.; Zabinski, B.; Zaidan, R.; Zaitsev, A. M.; Zakharchuk, N.; Zalieckas, J.; Zaman, A.; Zambito, S.; Zanello, L.; Zanzi, D.; Zeitnitz, C.; Zeman, M.; Zemla, A.; Zeng, J. C.; Zeng, Q.; Zenin, O.; Ženiš, T.; Zerwas, D.; Zhang, D.; Zhang, F.; Zhang, G.; Zhang, H.; Zhang, J.; Zhang, L.; Zhang, L.; Zhang, M.; Zhang, R.; Zhang, R.; Zhang, X.; Zhang, Z.; Zhao, X.; Zhao, Y.; Zhao, Z.; Zhemchugov, A.; Zhong, J.; Zhou, B.; Zhou, C.; Zhou, L.; Zhou, L.; Zhou, M.; Zhou, M.; Zhou, N.; Zhu, C. G.; Zhu, H.; Zhu, J.; Zhu, Y.; Zhuang, X.; Zhukov, K.; Zibell, A.; Zieminska, D.; Zimine, N. I.; Zimmermann, C.; Zimmermann, S.; Zinonos, Z.; Zinser, M.; Ziolkowski, M.; Živković, L.; Zobernig, G.; Zoccoli, A.; Zur Nedden, M.; Zwalinski, L.; Atlas Collaboration

2017-08-01

ATLAS measurements of two-particle correlations are presented for √{s }=5.02 and 13 TeV p p collisions and for √{sNN}=5.02 TeV p +Pb collisions at the LHC. The correlation functions are measured as a function of relative azimuthal angle Δ ϕ , and pseudorapidity separation Δ η , using charged particles detected within the pseudorapidity interval |η |<2.5 . Azimuthal modulation in the long-range component of the correlation function, with |Δ η |>2 , is studied using a template fitting procedure to remove a "back-to-back" contribution to the correlation function that primarily arises from hard-scattering processes. In addition to the elliptic, cos (2 Δ ϕ ) , modulation observed in a previous measurement, the p p correlation functions exhibit significant cos (3 Δ ϕ ) and cos (4 Δ ϕ ) modulation. The Fourier coefficients vn ,n associated with the cos (n Δ ϕ ) modulation of the correlation functions for n =2 -4 are measured as a function of charged-particle multiplicity and charged-particle transverse momentum. The Fourier coefficients are observed to be compatible with cos (n ϕ ) modulation of per-event single-particle azimuthal angle distributions. The single-particle Fourier coefficients vn are measured as a function of charged-particle multiplicity, and charged-particle transverse momentum for n =2 -4 . The integrated luminosities used in this analysis are, 64 nb-1 for the √{s }=13 TeV p p data, 170 nb-1 for the √{s }=5.02 TeV p p data, and 28 nb-1 for the √{sNN}=5.02 TeV p +Pb data.

Measurements of long-range azimuthal anisotropies and associated Fourier coefficients for p p collisions at s = 5.02 and 13 TeV and p + Pb collisions at s NN = 5.02  TeV with the ATLAS detector

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

Aaboud, M.; Aad, G.; Abbott, B.

ATLAS measurements of two-particle correlations are presented formore » $$\\sqrt{s}$$ = 5.02 and 13 TeV pp collisions and for $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV p + Pb collisions at the LHC. The correlation functions are measured as a function of relative azimuthal angle Δφ, and pseudorapidity separation Δη, using charged particles detected within the pseudorapidity interval |η| < 2.5. Azimuthal modulation in the long-range component of the correlation function, with |Δη| > 2, is studied using a template fitting procedure to remove a "back-to-back" contribution to the correlation function that primarily arises from hard-scattering processes. In addition to the elliptic, cos(2Δφ), modulation observed in a previous measurement, the pp correlation functions exhibit significant cos(3Δφ) and cos(4Δφ) modulation. The Fourier coefficients v n,n associated with the cos(nΔφ) modulation of the correlation functions for n=2-4 are measured as a function of charged-particle multiplicity and charged-particle transverse momentum. The Fourier coefficients are observed to be compatible with cos(nφ) modulation of per-event single-particle azimuthal angle distributions. The single-particle Fourier coefficients v n are measured as a function of charged-particle multiplicity, and charged-particle transverse momentum for n=2-4. The integrated luminosities used in this analysis are, 64 nb -1 for the $$\\sqrt{s}$$ = 13 TeV pp data, 170 nb-1 for the $$\\sqrt{s}$$ = 5.02 TeV pp data, and 28 nb -1 for the $$\\sqrt{s}$$$_ {NN}$$ = 5.02 TeV p+Pb data.« less

The Scattering Properties of Natural Terrestrial Snows versus Icy Satellite Surfaces

NASA Technical Reports Server (NTRS)

Domingue, Deborah; Hartman, Beth; Verbiscer, Anne

1997-01-01

Our comparisons of the single particle scattering behavior of terrestrial snows and icy satellite regoliths to the laboratory particle scattering measurements of McGuire and Hapke demonstrate that the differences between icy satellite regoliths and their terrestrial counterparts are due to particle structures and textures. Terrestrial snow particle structures define a region in the single particle scattering function parameter space separate from the regions defined by the McGuire and Hapke artificial laboratory particles. The particle structures and textures of the grains composing icy satellites regoliths are not simple or uniform but consist of a variety of particle structure and texture types, some of which may be a combination of the particle types investigated by McGuire and Hapke.

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

Kulkarni, Gourihar R.; Zhang, Kai; Zhao, Chun

Changes in the ice nucleation characteristics of atmospherically relevant mineral dust particles due to nitric acid coating are not well understood. Further, the atmospheric implications of dust coating on ice-cloud properties under different assumptions of primary ice nucleation mechanisms are unknown. We investigated ice nucleation ability of Arizona test dust, illite, K-feldspar and quartz as a function of temperature (-25 to -30°C) and relative humidity with respect to water (75 to 110%). Particles were size selected at 250 nm and transported (bare or coated) to the ice nucleation chamber to determine the fraction of particles nucleating ice at various temperaturemore » and water saturation conditions. All dust nucleated ice at water-subsaturated conditions, but the coated particles showed a reduction in their ice nucleation ability compared to bare particles. However, at water-supersaturated conditions, we observed that bare and coated particles had nearly similar ice nucleation characteristics. X-ray diffraction patterns indicated that structural properties of bare dust particles modified after acid treatment. We found that lattice parameters were slightly different, but crystallite sizes of the coated particles were reduced compared to bare particles. Next, single-column model results show that simulated ice crystal number concentrations mostly depends upon fraction of particles that are coated, primary ice nucleation mechanisms, and the competition between ice nucleation mechanisms to nucleate ice. In general, we observed that coating modify the ice-cloud properties and the picture of ice and mixed-phase cloud evolution is complex when different primary ice nucleation mechanisms are competing for fixed water vapor mass.« less

Ab Initio Density Functional Calculations and Infra-Red Study of CO Interaction with Pd Atoms on θ-Al2O3 (010) Surface.

PubMed

Narula, Chaitanya K; Allard, Lawrence F; Wu, Zili

2017-07-24

The ab initio density functional theoretical studies show that energetics favor CO oxidation on single Pd atoms supported on θ-alumina. The diffuse reflectance infra-red spectroscopy (DRIFTS) results show that carbonates are formed as intermediates when single supported Pd atoms are exposed to a gaseous mixture of CO + O 2 . The rapid agglomeration of Pd atoms under CO oxidation conditions even at 6 °C leads to the presence of Pd particles along with single atoms during CO oxidation experiments. Thus, the observed CO oxidation has contributions from both single Pd atoms and Pd particles.

"Self-Shaping" of Multicomponent Drops.

PubMed

Cholakova, Diana; Valkova, Zhulieta; Tcholakova, Slavka; Denkov, Nikolai; Smoukov, Stoyan K

2017-06-13

In our recent study we showed that single-component emulsion drops, stabilized by proper surfactants, can spontaneously break symmetry and transform into various polygonal shapes during cooling [ Denkov Nature 2015 , 528 , 392 - 395 ]. This process involves the formation of a plastic rotator phase of self-assembled oil molecules beneath the drop surface. The plastic phase spontaneously forms a frame of plastic rods at the oil drop perimeter which supports the polygonal shapes. However, most of the common substances used in industry appear as mixtures of molecules rather than pure substances. Here we present a systematic study of the ability of multicomponent emulsion drops to deform upon cooling. The observed trends can be summarized as follows: (1) The general drop-shape evolution for multicomponent drops during cooling is the same as with single-component drops; however, some additional shapes are observed. (2) Preservation of the particle shape upon freezing is possible for alkane mixtures with chain length difference Δn ≤ 4; for greater Δn, phase separation within the droplet is observed. (3) Multicomponent particles prepared from alkanes with Δn ≤ 4 plastify upon cooling due to the formation of a bulk rotator phase within the particles. (4) If a compound, which cannot induce self-shaping when pure, is mixed with a certain amount of a compound which induces self-shaping, then drops prepared from this mixture can also self-shape upon cooling. (5) Self-emulsification phenomena are also observed for multicomponent drops. In addition to the three recently reported mechanisms of self-emulsification [ Tcholakova Nat. Commun. 2017 , ( 8 ), 15012 ], a new (fourth) mechanism is observed upon freezing for alkane mixtures with Δn > 4. It involves disintegration of the particles due to a phase separation of alkanes upon freezing.

Molecular ways to nanoscale particles and films

NASA Astrophysics Data System (ADS)

Shen, H.; Mathur, S.

2002-06-01

Chemical routes for the synthesis of nanoparticles and films are proving to be highly efficient and versatile in tailoring the elemental combination and intrinsic properties of the target materials. The use of molecular compounds allows a controlled interaction of atoms or molecules, when compared to the solid-state methods, resulting in the formation of compositionally homogeneous deposits or uniform solid particles. Assembling all the elements forming the material in a single molecular compound, the so-called single-source approach augments the formation of nanocrystalline phases at low temperatures with atomically precise structures. To this end, we have shown that predefined reaction (decomposition) chemistry of precursors enforces a molecular level homogeneity in the obtained materials. Following the single-step conversions of appropriate molecular sources, we have obtained films and nanoparticles of oxides (Fe3O4, BaTiO3, ZnAl2O4, CoAl2O4), metal/oxide composites (Ge/GeO2) and ceramic-ceramic composites (LnAIO3/AI2O3; Ln = Pr, Nd). For a comparative evaluation, CoAl2O4 nanoparticles were prepared by both single- and multi-component routes; whereas the single-source approach yielded monophasic high purity spinels, phase contamination, due to monometal phases, was observed in the ceramic obtained from multicomponent mixture. An account of the size-controlled synthesis and characterisation of the new ceramics and composites is presented.

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.

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

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.

Fabrication of Polyhedral Particles from Spherical Colloids and Their Self-Assembly into Rotator Phases**

PubMed Central

Vutukuri, Hanumantha Rao; Imhof, Arnout; van Blaaderen, Alfons

2014-01-01

Particle shape is a critical parameter that plays an important role in self-assembly, for example, in designing targeted complex structures with desired properties. Over the last decades, an unprecedented range of monodisperse nanoparticle systems with control over the shape of the particles have become available. In contrast, the choice of micrometer-sized colloidal building blocks of particles with flat facets, that is, particles with polygonal shapes, is significantly more limited. This can be attributed to the fact that in contrast to nanoparticles, the larger colloids are significantly harder to synthesize as single crystals. It is now shown that a very simple building block, such as a micrometer-sized polymeric spherical colloidal particle, is already enough to fabricate particles with regularly placed flat facets, including completely polygonal shapes with sharp edges. As an illustration that the yields are high enough for further self-assembly studies, the formation of three-dimensional rotator phases of fluorescently labelled, micrometer-sized, and charged rhombic dodecahedron particles was demonstrated. This method for fabricating polyhedral particles opens a new avenue for designing new materials. PMID:25366869

Fracture mechanisms of glass particles under dynamic compression

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

Parab, Niranjan D.; Guo, Zherui; Hudspeth, Matthew C.

2017-08-01

In this study, dynamic fracture mechanisms of single and contacting spherical glass particles were observed using high speed synchrotron X-ray phase contrast imaging. A modified Kolsky bar setup was used to apply controlled dynamic compressive loading on the soda-lime glass particles. Four different configurations of particle arrangements with one, two, three, and five particles were studied. In single particle experiments, cracking initiated near the contact area between the particle and the platen, subsequently fragmenting the particle in many small sub-particles. In multi-particle experiments, a crack was observed to initiate from the point just outside the contact area between two particles.more » The initiated crack propagated at an angle to the horizontal loading direction, resulting in separation of a fragment. However, this fragment separation did not affect the ability of the particle to withstand further contact loading. On further compression, large number of cracks initiated in the particle with the highest number of particle-particle contacts near one of the particle-particle contacts. The initiated cracks roughly followed the lines joining the contact points. Subsequently, the initiated cracks along with the newly developed sub-cracks bifurcated rapidly as they propagated through the particle and fractured the particle explosively into many small fragments, leaving the other particles nearly intact.« less

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

Clogging and depinning of ballistic active matter systems in disordered media

NASA Astrophysics Data System (ADS)

Reichhardt, C.; Reichhardt, C. J. O.

2018-05-01

We numerically examine ballistic active disks driven through a random obstacle array. Formation of a pinned or clogged state occurs at much lower obstacle densities for the active disks than for passive disks. As a function of obstacle density, we identify several distinct phases including a depinned fluctuating cluster state, a pinned single-cluster or jammed state, a pinned multicluster state, a pinned gel state, and a pinned disordered state. At lower active disk densities, a drifting uniform liquid forms in the absence of obstacles, but when even a small number of obstacles are introduced, the disks organize into a pinned phase-separated cluster state in which clusters nucleate around the obstacles, similar to a wetting phenomenon. We examine how the depinning threshold changes as a function of disk or obstacle density and find a crossover from a collectively pinned cluster state to a disordered plastic depinning transition as a function of increasing obstacle density. We compare this to the behavior of nonballistic active particles and show that as we vary the activity from completely passive to completely ballistic, a clogged phase-separated state appears in both the active and passive limits, while for intermediate activity, a readily flowing liquid state appears and there is an optimal activity level that maximizes the flux through the sample.

Many-Body Localization and Quantum Nonergodicity in a Model with a Single-Particle Mobility Edge.

PubMed

Li, Xiaopeng; Ganeshan, Sriram; Pixley, J H; Das Sarma, S

2015-10-30

We investigate many-body localization in the presence of a single-particle mobility edge. By considering an interacting deterministic model with an incommensurate potential in one dimension we find that the single-particle mobility edge in the noninteracting system leads to a many-body mobility edge in the corresponding interacting system for certain parameter regimes. Using exact diagonalization, we probe the mobility edge via energy resolved entanglement entropy (EE) and study the energy resolved applicability (or failure) of the eigenstate thermalization hypothesis (ETH). Our numerical results indicate that the transition separating area and volume law scaling of the EE does not coincide with the nonthermal to thermal transition. Consequently, there exists an extended nonergodic phase for an intermediate energy window where the many-body eigenstates violate the ETH while manifesting volume law EE scaling. We also establish that the model possesses an infinite temperature many-body localization transition despite the existence of a single-particle mobility edge. We propose a practical scheme to test our predictions in atomic optical lattice experiments which can directly probe the effects of the mobility edge.

Colloidal Particles at Fluid Interfaces and the Interface of Colloidal Fluids

NASA Astrophysics Data System (ADS)

McGorty, Ryan

Holographic microscopy is a unifying theme in the different projects discussed in this thesis. The technique allows one to observe microscopic objects, like colloids and droplets, in a three-dimensional (3D) volume. Unlike scanning 3D optical techniques, holography captures a sample's 3D information in a single image: the hologram. Therefore, one can capture 3D information at video frame rates. The price for such speed is paid in computation time. The 3D information must be extracted from the image by methods such as reconstruction or fitting the hologram to scattering calculations. Using holography, we observe a single colloidal particle approach, penetrate and then slowly equilibrate at an oil--water interface. Because the particle moves along the optical axis (z-axis) and perpendicular to the interface holography is used to determine its position. We are able to locate the particle's z-position to within a few nanometers with a time resolution below a millisecond. We find that the capillary force pulling the particle into the interface is not balanced by a hydrodynamic force. Rather, a larger-than-viscous dissipation associated with the three-phase contact-line slipping over the particle's surface results in equilibration on time scales orders of magnitude longer than the minute time scales over which our setup allows us to examine. A separate project discussed here also examines colloidal particles and fluid-fluid interfaces. But the fluids involved are composed of colloids. With a colloid and polymer water-based mixture we study the phase separation of the colloid-rich (or liquid) and colloid-poor (or gas) region. In comparison to the oil--water interface in the previously mentioned project, the interface between the colloidal liquid and gas phases has a surface tension nearly six orders of magnitude smaller. So interfacial fluctuations are observable under microscopy. We also use holographic microscopy to study this system but not to track particles with great time and spatial resolution. Rather, holography allows us to observe nucleation of the liquid phase occurring throughout our sample volume.

Polypeptide Liquid Crystal Assisted Assembly of Cylindrically Symmetric Silica-Polypeptide Hybrid Microparticles

NASA Astrophysics Data System (ADS)

Russo, Paul; Rosu, Cornelia; Jacobeen, Shane; Park, Katherine; Yunker, Peter; Reichmanis, Elsa

Liquid crystals can organize dispersed particles into exotic structures. Matching the particle surface coating to the chemistry of the mesogenic phase permits a tight focus on factors such as extended particle shape. The colloidal particles developed for this work consist of a magnetic and fluorescent cylinder-like silica core. One end of the silica is rounded, almost hemispherical, giving the particles a bullet-like shape. These particles are functionalized with helical poly(γ-stearyl-L-glutamate) and dispersed, at different concentrations in cholesteric liquid crystals (ChLC) of the same polymer in tetrahydrofuran. Defects introduced by the particles to the director field of the bulk PSLG/THF host led to a variety of phases, including a quasi-hexagonal alignment of the particles. National Science Foundation.

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.

A new approach to simulating collisionless dark matter fluids

NASA Astrophysics Data System (ADS)

Hahn, Oliver; Abel, Tom; Kaehler, Ralf

2013-09-01

Recently, we have shown how current cosmological N-body codes already follow the fine grained phase-space information of the dark matter fluid. Using a tetrahedral tessellation of the three-dimensional manifold that describes perfectly cold fluids in six-dimensional phase space, the phase-space distribution function can be followed throughout the simulation. This allows one to project the distribution function into configuration space to obtain highly accurate densities, velocities and velocity dispersions. Here, we exploit this technique to show first steps on how to devise an improved particle-mesh technique. At its heart, the new method thus relies on a piecewise linear approximation of the phase-space distribution function rather than the usual particle discretization. We use pseudo-particles that approximate the masses of the tetrahedral cells up to quadrupolar order as the locations for cloud-in-cell (CIC) deposit instead of the particle locations themselves as in standard CIC deposit. We demonstrate that this modification already gives much improved stability and more accurate dynamics of the collisionless dark matter fluid at high force and low mass resolution. We demonstrate the validity and advantages of this method with various test problems as well as hot/warm dark matter simulations which have been known to exhibit artificial fragmentation. This completely unphysical behaviour is much reduced in the new approach. The current limitations of our approach are discussed in detail and future improvements are outlined.

Intrinsic Orbital Angular Momentum States of Neutrons

NASA Astrophysics Data System (ADS)

Cappelletti, Ronald L.; Jach, Terrence; Vinson, John

2018-03-01

It has been shown that single-particle wave functions, of both photons and electrons, can be created with a phase vortex, i.e., an intrinsic orbital angular momentum (OAM). A recent experiment has claimed similar success using neutrons [C. W. Clark et al., Nature, 525, 504 (2015), 10.1038/nature15265]. We show that their results are insufficient to unambiguously demonstrate OAM, and they can be fully explained as phase contrast interference patterns. Furthermore, given the small transverse coherence length of the neutrons in the original experiment, the probability that any neutron was placed in an OAM state is vanishingly small. We highlight the importance of the relative size of the coherence length, which presents a unique challenge for neutron experiments compared to electron or photon work, and we suggest improvements for the creation of neutron OAM states.

Assessment and validation of the community radiative transfer model for ice cloud conditions

NASA Astrophysics Data System (ADS)

Yi, Bingqi; Yang, Ping; Weng, Fuzhong; Liu, Quanhua

2014-11-01

The performance of the Community Radiative Transfer Model (CRTM) under ice cloud conditions is evaluated and improved with the implementation of MODIS collection 6 ice cloud optical property model based on the use of severely roughened solid column aggregates and a modified Gamma particle size distribution. New ice cloud bulk scattering properties (namely, the extinction efficiency, single-scattering albedo, asymmetry factor, and scattering phase function) suitable for application to the CRTM are calculated by using the most up-to-date ice particle optical property library. CRTM-based simulations illustrate reasonable accuracy in comparison with the counterparts derived from a combination of the Discrete Ordinate Radiative Transfer (DISORT) model and the Line-by-line Radiative Transfer Model (LBLRTM). Furthermore, simulations of the top of the atmosphere brightness temperature with CRTM for the Crosstrack Infrared Sounder (CrIS) are carried out to further evaluate the updated CRTM ice cloud optical property look-up table.

Charging and discharging of single colloidal particles at oil/water interfaces

PubMed Central

Gao, Peng; Xing, XiaoChen; Li, Ye; Ngai, To; Jin, Fan

2014-01-01

The physical behavior of solid colloids trapped at a fluid-fluid interface remains in itself an open fundamental issue. Here, we show that the gradients of surface tension can induce particles to jet towards the oil/water interface with velocities as high as ≈ 60 mm/s when particle suspensions come in contact with the interface. We hypothesize that rubbing between the particles and oil lead to the spontaneous accumulation of negative charges on the hemisphere of those interfacial particles that contact the oil phase by means of triboelectrification. The charging process is highly dependent on the sliding distances, and gives rise to long-ranged repulsions that protect interfacial particles from coagulating at the interface by the presence of electrolyte. These triboelectric charges, however, are compensated within several hours, which affect the stability of interfacial particles. Importantly, by charging different kinds of colloidal particles using various spreading solvents and dispersion methods, we have demonstrated that charging and discharging of single colloidal particles at oil/water interfaces impacts a broad range of dynamical behavior. PMID:24786477

Counting statistics of many-particle quantum walks

NASA Astrophysics Data System (ADS)

Mayer, Klaus; Tichy, Malte C.; Mintert, Florian; Konrad, Thomas; Buchleitner, Andreas

2011-06-01

We study quantum walks of many noninteracting particles on a beam splitter array as a paradigmatic testing ground for the competition of single- and many-particle interference in a multimode system. We derive a general expression for multimode particle-number correlation functions, valid for bosons and fermions, and infer pronounced signatures of many-particle interferences in the counting statistics.

Shear-mediated contributions to the effective properties of soft acoustic metamaterials including negative index

PubMed Central

Forrester, Derek Michael; Pinfield, Valerie J.

2015-01-01

Here we show that, for sub-wavelength particles in a fluid, viscous losses due to shear waves and their influence on neighbouring particles significantly modify the effective acoustic properties, and thereby the conditions at which negative acoustic refraction occurs. Building upon earlier single particle scattering work, we adopt a multiple scattering approach to derive the effective properties (density, bulk modulus, wavenumber). We show,through theoretical prediction, the implications for the design of “soft” (ultrasonic) metamaterials based on locally-resonant sub-wavelength porous rubber particles, through selection of particle size and concentration, and demonstrate tunability of the negative speed zones by modifying the viscosity of the suspending medium. For these lossy materials with complex effective properties, we confirm the use of phase angles to define the backward propagation condition in preference to “single-” and “double-negative” designations. PMID:26686414

Flow induced crystallisation of penetrable particles

NASA Astrophysics Data System (ADS)

Scacchi, Alberto; Brader, Joseph M.

2018-03-01

For a system of Brownian particles interacting via a soft exponential potential we investigate the interaction between equilibrium crystallisation and spatially varying shear flow. For thermodynamic state points within the liquid part of the phase diagram, but close to the crystallisation phase boundary, we observe that imposing a Poiseuille flow can induce nonequilibrium crystalline ordering in regions of low shear gradient. The physical mechanism responsible for this phenomenon is shear-induced particle migration, which causes particles to drift preferentially towards the center of the flow channel, thus increasing the local density in the channel center. The method employed is classical dynamical density functional theory.

Flow induced crystallisation of penetrable particles.

PubMed

Scacchi, Alberto; Brader, Joseph M

2018-03-07

For a system of Brownian particles interacting via a soft exponential potential we investigate the interaction between equilibrium crystallisation and spatially varying shear flow. For thermodynamic state points within the liquid part of the phase diagram, but close to the crystallisation phase boundary, we observe that imposing a Poiseuille flow can induce nonequilibrium crystalline ordering in regions of low shear gradient. The physical mechanism responsible for this phenomenon is shear-induced particle migration, which causes particles to drift preferentially towards the center of the flow channel, thus increasing the local density in the channel center. The method employed is classical dynamical density functional theory.

Single step, phase controlled, large scale synthesis of ferrimagnetic iron oxide polymorph nanoparticles by thermal plasma route and their rheological properties

NASA Astrophysics Data System (ADS)

Raut, Suyog A.; Mutadak, Pallavi R.; Kumar, Shiv; Kanhe, Nilesh S.; Huprikar, Sameer; Pol, Harshawardhan V.; Phase, Deodatta M.; Bhoraskar, Sudha V.; Mathe, Vikas L.

2018-03-01

In this paper we report single step large scale synthesis of highly crystalline iron oxide nanoparticles viz. magnetite (Fe3O4) and maghemite (γ-Fe2O3) via gas phase condensation process, where micron sized iron metal powder was used as a precursor. Selective phases of iron oxide were obtained by variation of gas flow rate of oxygen and hence partial pressure of oxygen inside the plasma reactor. Most of the particles were found to possesses average crystallite size of about 20-30 nm. The DC magnetization curves recorded indicate almost super-paramagnetic nature of the iron oxide magnetic nanoparticles. Further, iron oxide nanoparticles were analyzed using Raman spectroscopy, X-ray photoelectron spectroscopy and Mossbauer spectroscopy. In order to explore the feasibility of these nanoparticles for magnetic damper application, rheological studies have been carried out and compared with commercially available Carbonyl Iron (CI) particles. The nanoparticles obtained by thermal plasma route show improved dispersion which is useful for rheological applications.

Interferometric apparatus and method for detection and characterization of particles using light scattered therefrom

DOEpatents

Johnston, Roger G.

1988-01-01

Interferometric apparatus and method for detection and characterization of particles using light scattered therefrom. Differential phase measurements on scattered light from particles are possible using the two-frequency Zeeman effect laser which emits two frequencies of radiation 250 kHz apart. Excellent discrimination and reproducibility for various pure pollen and bacterial samples in suspension have been observed with a single polarization element. Additionally, a 250 kHz beat frequency was recorded from an individual particle traversing the focused output from the laser in a flow cytometer.

Apparatus and method for detection and characterization of particles using light scattered therefrom

DOEpatents

Johnston, R.G.

1987-03-23

Apparatus and method for detection and characterization of particles using light scattered therefrom. Differential phase measurements on scattered light from particles are possible using the two-frequency Zeeman effect laser which emits two frequencies of radiation 250 kHz apart. Excellent discrimination and reproducibility for various pure pollen and bacterial samples in suspension have been observed with a single polarization element. Additionally, a 250 kHz beat frequency was recorded from an individual particle traversing the focused output from the laser in a flow cytometer. 13 figs.

Single Particle Studies of Heterogeneous Atmospheric Chemistry on Aluminum Oxide Particles in a Quadrupole Trap

DTIC Science & Technology

2000-03-01

For Figures 17 and 18, the H20 content of the N2 gas flow is ណ ppm ( dew point < 220 K); for Figure 19, the HC1 content of the gas stream is 30 ppm...the same temperature to prevent supersaturation. We have calibrated the water delivery system in H2S04 trapping experiments, 35 by a dew point ...We have investigated the activities of different types of aluminum oxide particles for uptake of gas -phase H20 and HCI. The particle types

Structural characterization and gas reactions of small metal particles by high resolution in-situ TEM (Transmission Electron Microscopy) and TED (Transmission Electron Diffraction)

NASA Technical Reports Server (NTRS)

Heinemann, K.

1987-01-01

The detection and size analysis of small metal particles supported on amorphous substrates becomes increasingly difficult when the particle size approaches that of the phase contrast background structures of the support. An approach of digital image analysis, involving Fourier transformation of the original image, filtering, and image reconstruction was studied with respect to the likelihood of unambiguously detecting particles of less than 1 nm diameter on amorphous substrates from a single electron micrograph.

Observing single protein binding by optical transmission through a double nanohole aperture in a metal film

PubMed Central

Al Balushi, Ahmed A.; Zehtabi-Oskuie, Ana; Gordon, Reuven

2013-01-01

We experimentally demonstrate protein binding at the single particle level. A double nanohole (DNH) optical trap was used to hold onto a 20 nm biotin-coated polystyrene (PS) particle which subsequently is bound to streptavidin. Biotin-streptavidin binding has been detected by an increase in the optical transmission through the DNH. Similar optical transmission behavior was not observed when streptavidin binding sites where blocked by mixing streptavidin with excess biotin. Furthermore, interaction of non-functionalized PS particles with streptavidin did not induce a change in the optical transmission through the DNH. These results are promising as the DNH trap can make an excellent single molecule resolution sensor which would enable studying biomolecular interactions and dynamics at a single particle/molecule level. PMID:24049672

How to bridge the gap between "unresolved" model and "resolved" model in CFD-DEM coupled method for sediment transport?

NASA Astrophysics Data System (ADS)

Liu, D.; Fu, X.; Liu, X.

2016-12-01

In nature, granular materials exist widely in water bodies. Understanding the fundamentals of solid-liquid two-phase flow, such as turbulent sediment-laden flow, is of importance for a wide range of applications. A coupling method combining computational fluid dynamics (CFD) and discrete element method (DEM) is now widely used for modeling such flows. In this method, when particles are significantly larger than the CFD cells, the fluid field around each particle should be fully resolved. On the other hand, the "unresolved" model is designed for the situation where particles are significantly smaller than the mesh cells. Using "unresolved" model, large amount of particles can be simulated simultaneously. However, there is a gap between these two situations when the size of DEM particles and CFD cell is in the same order of magnitude. In this work, the most commonly used void fraction models are tested with numerical sedimentation experiments. The range of applicability for each model is presented. Based on this, a new void fraction model, i.e., a modified version of "tri-linear" model, is proposed. Particular attention is paid to the smooth function of void fraction in order to avoid numerical instability. The results show good agreement with the experimental data and analytical solution for both single-particle motion and also group-particle motion, indicating great potential of the new void fraction model.

New apparatus of single particle trap system for aerosol visualization

NASA Astrophysics Data System (ADS)

Higashi, Hidenori; Fujioka, Tomomi; Endo, Tetsuo; Kitayama, Chiho; Seto, Takafumi; Otani, Yoshio

2014-08-01

Control of transport and deposition of charged aerosol particles is important in various manufacturing processes. Aerosol visualization is an effective method to directly observe light scattering signal from laser-irradiated single aerosol particle trapped in a visualization cell. New single particle trap system triggered by light scattering pulse signal was developed in this study. The performance of the device was evaluated experimentally. Experimental setup consisted of an aerosol generator, a differential mobility analyzer (DMA), an optical particle counter (OPC) and the single particle trap system. Polystylene latex standard (PSL) particles (0.5, 1.0 and 2.0 μm) were generated and classified according to the charge by the DMA. Singly charged 0.5 and 1.0 μm particles and doubly charged 2.0 μm particles were used as test particles. The single particle trap system was composed of a light scattering signal detector and a visualization cell. When the particle passed through the detector, trigger signal with a given delay time sent to the solenoid valves upstream and downstream of the visualization cell for trapping the particle in the visualization cell. The motion of particle in the visualization cell was monitored by CCD camera and the gravitational settling velocity and the electrostatic migration velocity were measured from the video image. The aerodynamic diameter obtained from the settling velocity was in good agreement with Stokes diameter calculated from the electrostatic migration velocity for individual particles. It was also found that the aerodynamic diameter obtained from the settling velocity was a one-to-one function of the scattered light intensity of individual particles. The applicability of this system will be discussed.

Nanoparticle detection using dual-phase interferometry

PubMed Central

Deutsch, Bradley; Beams, Ryan; Novotny, Lukas

2013-01-01

Detection and identification of nanoparticles is of growing interest in atmospheric monitoring, medicine and semiconductor manufacturing. While elastic light scattering with interferometric detection provides good sensitivity to single particles, active optical components prevent scalability realistic sizes for deployment in the field or clinic. Here we report on a simple phase-sensitive nanoparticle detection scheme with no active optical elements. Two measurements are taken simultaneously, allowing amplitude and phase to be decoupled. We demonstrate detection of 25 nm Au particles in liquid in Δt ~ 1 ms with a signal-to-noise ratio of 37. Such performance makes it possible to detect nanoscale contaminants or larger proteins in real time without the need of artificial labeling. PMID:20830181

Thermodynamic theory of intrinsic finite size effects in PbTiO3 nanocrystals. II. Dielectric and piezoelectric properties

NASA Astrophysics Data System (ADS)

Akdogan, E. K.; Safari, A.

2007-03-01

We compute the intrinsic dielectric and piezoelectric properties of single domain, mechanically free, and surface charge compensated PbTiO3 nanocrystals (n-Pt) with no depolarization fields, undergoing a finite size induced first order tetragonal→cubic ferrodistortive phase transition. By using a Landau-Devonshire type free energy functional, in which Landau coefficients are a function of nanoparticle size, we demonstrate substantial deviations from bulk properties in the range <150 nm. We find a decrease in dielectric susceptibility at the transition temperature with decreasing particle size, which we verify to be in conformity with predictions of lattice dynamics considerations. We also find an anomalous increase in piezocharge coefficients near ˜15 nm , the critical size for n-Pt.

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.

Local phase method for designing and optimizing metasurface devices.

PubMed

Hsu, Liyi; Dupré, Matthieu; Ndao, Abdoulaye; Yellowhair, Julius; Kanté, Boubacar

2017-10-16

Metasurfaces have attracted significant attention due to their novel designs for flat optics. However, the approach usually used to engineer metasurface devices assumes that neighboring elements are identical, by extracting the phase information from simulations with periodic boundaries, or that near-field coupling between particles is negligible, by extracting the phase from single particle simulations. This is not the case most of the time and the approach thus prevents the optimization of devices that operate away from their optimum. Here, we propose a versatile numerical method to obtain the phase of each element within the metasurface (meta-atoms) while accounting for near-field coupling. Quantifying the phase error of each element of the metasurfaces with the proposed local phase method paves the way to the design of highly efficient metasurface devices including, but not limited to, deflectors, high numerical aperture metasurface concentrators, lenses, cloaks, and modulators.

Are snakes particles or waves? Scattering of a limbless locomotor through a single slit

NASA Astrophysics Data System (ADS)

Qian, Feifei; Dai, Jin; Gong, Chaohui; Choset, Howie; Goldman, Daniel

Droplets on vertically vibrated fluid surfaces can walk and diffract through a single slit by a pilot wave hydrodynamic interaction [Couder, 2006; Bush, 2015]. Inspired by the correspondence between emergent macroscale dynamics and phenomena in quantum systems, we tested if robotic snakes, which resemble wave packets, behave emergently like particles or waves when interacting with an obstacle. In lab experiments and numerical simulations we measured how a multi-module snake-like robot swam through a single slit. We controlled the snake undulation gait as a fixed serpenoid traveling wave pattern with varying amplitude and initial phase, and we examined the snake trajectory as it swam through a slit with width d. Robot trajectories were straight before interaction with the slit, then exited at different scattering angle θ after the interaction due to a complex interaction of the body wave with the slit. For fixed amplitude and large d, the snake passed through the slit with minimal interaction and theta was ~ 0 . For sufficiently small d, θ was finite and bimodally distributed, depending on the initial phase. For intermediate d, θ was sensitive to initial phase, and the width of the distribution of θ increased with decreasing d.

Effect of Operating Parameters on a Dual-Stage High Velocity Oxygen Fuel Thermal Spray System

NASA Astrophysics Data System (ADS)

Khan, Mohammed N.; Shamim, Tariq

2014-08-01

High velocity oxygen fuel (HVOF) thermal spray systems are being used to apply coatings to prevent surface degradation. The coatings of temperature sensitive materials such as titanium and copper, which have very low melting points, cannot be applied using a single-stage HVOF system. Therefore, a dual-stage HVOF system has been introduced and modeled computationally. The dual-spray system provides an easy control of particle oxidation by introducing a mixing chamber. In addition to the materials being sprayed, the thermal spray coating quality depends to a large extent on flow behavior of reacting gases and the particle dynamics. The present study investigates the influence of various operating parameters on the performance of a dual-stage thermal spray gun. The objective is to develop a predictive understanding of various parameters. The gas flow field and the free jet are modeled by considering the conservation of mass, momentum, and energy with the turbulence and the equilibrium combustion sub models. The particle phase is decoupled from the gas phase due to very low particle volume fractions. The results demonstrate the advantage of a dual-stage system over a single-stage system especially for the deposition of temperature sensitive materials.

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.

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

A new broadly tunable (7.4-10.2 eV) laser based VUV light source and its first application to aerosol mass spectrometry

NASA Astrophysics Data System (ADS)

Hanna, S. J.; Campuzano-Jost, P.; Simpson, E. A.; Robb, D. B.; Burak, I.; Blades, M. W.; Hepburn, J. W.; Bertram, A. K.

2009-01-01

A laser based vacuum ultraviolet (VUV) light source using resonance enhanced four wave difference mixing in xenon gas was developed for near threshold ionization of organics in atmospheric aerosol particles. The source delivers high intensity pulses of VUV light (in the range of 1010 to 1013 photons/pulse depending on wavelength, 5 ns FWHM) with a continuously tunable wavelength from 122 nm (10.2 eV) to 168 nm (7.4 eV)E The setup allows for tight (<1 mm2) and precise focusing ([mu]rad pointing angle adjustability), attributes required for single particle detection. The generated VUV is separated from the pump wavelengths by a custom monochromator which ensures high spectral purity and minimizes absorptive losses. The performance of the source was characterized using organic molecules in the gas phase and optimal working conditions are reported. In the gas phase measurements, photoionization efficiency (PIE) curves were collected for seven different organic species with ionization energies spanning the full wavelength range of the VUV source. The measured appearance energies are very close to the literature values of the ionization energies for all seven species. The effectiveness of the source for single particle studies was demonstrated by analysis of individual caffeine aerosols vaporized by a pulsed CO2 laser in an ion trap mass spectrometer. Mass spectra from single particles down to 300 nm in diameter were collected. Excellent signal to noise characteristics for these small particles give a caffeine detection limit of 8 × 105 molecules which is equivalent to a single 75 nm aerosol, or approximately 1.5% of a 300 nm particleE The appearance energy of caffeine originating from the aerosol was also measured and found to be 7.91 ± 0.05 eV, in good agreement with literature values.

Structural and magnetic characteristics of PVA/CoFe{sub 2}O{sub 4} nano-composites prepared via mechanical alloying method

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

Rashidi, S.; Ataie, A., E-mail: aataie@ut.ac.ir

Highlights: • Single phase CoFe{sub 2}O{sub 4} nano-particles synthesized in one step by mechanical alloying. • PVA/CoFe{sub 2}O{sub 4} magnetic nano-composites were fabricated via mechanical milling. • FTIR confirmed the interaction between PVA and magnetic CoFe{sub 2}O{sub 4} particles. • Increasing in milling time and PVA amount led to well dispersion of CoFe{sub 2}O{sub 4}. - Abstract: In this research, polyvinyl alcohol/cobalt ferrite nano-composites were successfully synthesized employing a two-step procedure: the spherical single-phase cobalt ferrite of 20 ± 4 nm mean particle size was synthesized via mechanical alloying method and then embedded into polymer matrix by intensive milling. Themore » results revealed that increase in polyvinyl alcohol content and milling time causes cobalt ferrite particles disperse more homogeneously in polymer matrix, while the mean particle size and shape of cobalt ferrite have not been significantly affected. Transmission electron microscope images indicated that polyvinyl alcohol chains have surrounded the cobalt ferrite nano-particles; also, the interaction between polymer and cobalt ferrite particles in nano-composite samples was confirmed. Magnetic properties evaluation showed that saturation magnetization, coercivity and anisotropy constant values decreased in nano-composite samples compared to pure cobalt ferrite. However, the coercivity values of related nano-composite samples enhanced by increasing PVA amount due to domain wall mechanism.« less

Phoretic and Radiometric Force Measurements on Microparticles in Microgravity Conditions

NASA Technical Reports Server (NTRS)

Davis, E. James

1996-01-01

Thermophoretic, diffusiophoretic and radiometric forces on microparticles are being measured over a wide range of gas phase and particle conditions using electrodynamic levitation of single particles to simulate microgravity conditions. The thermophoretic force, which arises when a particle exists in a gas having a temperature gradient, is measured by levitating an electrically charged particle between heated and cooled plates mounted in a vacuum chamber. The diffusiophoretic force arising from a concentration gradient in the gas phase is measured in a similar manner except that the heat exchangers are coated with liquids to establish a vapor concentration gradient. These phoretic forces and the radiation pressure force acting on a particle are measured directly in terms of the change in the dc field required to levitate the particle with and without the force applied. The apparatus developed for the research and the experimental techniques are discussed, and results obtained by thermophoresis experiments are presented. The determination of the momentum and energy accommodation coefficients associated with molecular collisions between gases molecules and particles and the measurement of the interaction between electromagnetic radiation and small particles are of particular interest.

Pressure evolution equation for the particulate phase in inhomogeneous compressible disperse multiphase flows

NASA Astrophysics Data System (ADS)

Annamalai, Subramanian; Balachandar, S.; Sridharan, P.; Jackson, T. L.

2017-02-01

An analytical expression describing the unsteady pressure evolution of the dispersed phase driven by variations in the carrier phase is presented. In this article, the term "dispersed phase" represents rigid particles, droplets, or bubbles. Letting both the dispersed and continuous phases be inhomogeneous, unsteady, and compressible, the developed pressure equation describes the particle response and its eventual equilibration with that of the carrier fluid. The study involves impingement of a plane traveling wave of a given frequency and subsequent volume-averaged particle pressure calculation due to a single wave. The ambient or continuous fluid's pressure and density-weighted normal velocity are identified as the source terms governing the particle pressure. Analogous to the generalized Faxén theorem, which is applicable to the particle equation of motion, the pressure expression is also written in terms of the surface average of time-varying incoming flow properties. The surface average allows the current formulation to be generalized for any complex incident flow, including situations where the particle size is comparable to that of the incoming flow. Further, the particle pressure is also found to depend on the dispersed-to-continuous fluid density ratio and speed of sound ratio in addition to dynamic viscosities of both fluids. The model is applied to predict the unsteady pressure variation inside an aluminum particle subjected to normal shock waves. The results are compared against numerical simulations and found to be in good agreement. Furthermore, it is shown that, although the analysis is conducted in the limit of negligible flow Reynolds and Mach numbers, it can be used to compute the density and volume of the dispersed phase to reasonable accuracy. Finally, analogous to the pressure evolution expression, an equation describing the time-dependent particle radius is deduced and is shown to reduce to the Rayleigh-Plesset equation in the linear limit.

The expanding materials multiverse

NASA Astrophysics Data System (ADS)

Powell, Ben J.

2018-06-01

High-energy physicists are limited to studying a single vacuum and its excitations, the particles of the standard model. For condensed-matter physicists, every new phase of matter brings a new “‘vacuum.” Remarkably, the low-energy excitations of these new vacua can be very different from the individual electrons, protons, and neutrons that constitute the material. The materials multiverse contains universes where the particle-like excitations carry only a fraction of the elementary electronic charge (1), are magnetic monopoles (2), or are their own antiparticles (3). None of these properties have ever been observed in the particles found in free space. Often, emergent gauge fields accompany these “fractionalized” particles (2, 4, 5), just as electromagnetic gauge fields accompany charged particles. On page 1101 of this issue, Hassan et al. (6) provide a glimpse of the emergent behaviors of a putative new phase of matter, the dipole liquid. What particles live in this universe, and what new physics is found in this and neighboring parts of the multiverse?

Synthesis of nanoparticles in a flame aerosol reactor with independent and strict control of their size, crystal phase and morphology

NASA Astrophysics Data System (ADS)

Jiang, Jingkun; Chen, Da-Ren; Biswas, Pratim

2007-07-01

A flame aerosol reactor (FLAR) was developed to synthesize nanoparticles with desired properties (crystal phase and size) that could be independently controlled. The methodology was demonstrated for TiO2 nanoparticles, and this is the first time that large sets of samples with the same size but different crystal phases (six different ratios of anatase to rutile in this work) were synthesized. The degree of TiO2 nanoparticle agglomeration was determined by comparing the primary particle size distribution measured by scanning electron microscopy (SEM) to the mobility-based particle size distribution measured by online scanning mobility particle spectrometry (SMPS). By controlling the flame aerosol reactor conditions, both spherical unagglomerated particles and highly agglomerated particles were produced. To produce monodisperse nanoparticles, a high throughput multi-stage differential mobility analyser (MDMA) was used in series with the flame aerosol reactor. Nearly monodisperse nanoparticles (geometric standard deviation less than 1.05) could be collected in sufficient mass quantities (of the order of 10 mg) in reasonable time (1 h) that could be used in other studies such as determination of functionality or biological effects as a function of size.

Hidden multiparticle excitation in a weakly interacting Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Watabe, Shohei

2018-03-01

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

Proceedings of Workshop on Laser Diagnostics in Fluid Mechanics and Combustion

NASA Astrophysics Data System (ADS)

1993-10-01

Proceedings of the Workshop on Laser Diagnostics in Fluid Mechanics and Combustion are presented. Topics included are: Accuracy of Laser Doppler Anemometry; Applications of Raman-Rayleigh-LIF Diagnostics in Combustion Research; Phase Doppler Anemometer Technique Concepts and Applications; CARS; Particle Image Velocimetry; Practical Consideration in the Use and Design of Laser Velocimetry Systems in Turbomachinery Applications; Phase Doppler Measurements of Gas-Particle Flow Through a Tube Bank; Degenerate Four Wave Mixing for Shock Tunnel Studies of Supersonic Combustion; Laser Induced Photodissociation and Fluorescence (LIPF) of Sodium Species Present in Coal Combustion; 3D Holographic Measurements Inside a Spark Ignition Engine; Laser Doppler Velocimeter Measurements in Compressible Flow; Bursting in a Tornado Vortex; Quantitative Imaging of OH and Temperature Using a Single Laser Source and Single Intensified Camera; and Laser Doppler Measurements Inside an Artificial Heart Valve.

Chemical release from single-PMMA microparticles monitored by CARS microscopy

NASA Astrophysics Data System (ADS)

Enejder, Annika; Svedberg, Fredrik; Nordstierna, Lars; Nydén, Magnus

2011-03-01

Microparticles loaded with antigens, proteins, DNA, fungicides, and other functional agents emerge as ideal vehicles for vaccine, drug delivery, genetic therapy, surface- and crop protection. The microscopic size of the particles and their collective large specific surface area enables highly active and localized release of the functional substance. In order to develop designs with release profiles optimized for the specific application, it is desirable to map the distribution of the active substance within the particle and how parameters such as size, material and morphology affect release rates at single particle level. Current imaging techniques are limited in resolution, sensitivity, image acquisition time, or sample treatment, excluding dynamic studies of active agents in microparticles. Here, we demonstrate that the combination of CARS and THG microscopy can successfully be used, by mapping the spatial distribution and release rates of the fungicide and food preservative IPBC from different designs of PMMA microparticles at single-particle level. By fitting a radial diffusion model to the experimental data, single particle diffusion coefficients can be determined. We show that release rates are highly dependent on the size and morphology of the particles. Hence, CARS and THG microscopy provides adequate sensitivity and spatial resolution for quantitative studies on how singleparticle properties affect the diffusion of active agents at microscopic level. This will aid the design of innovative microencapsulating systems for controlled release.

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.

Stochastic four-way coupling of gas-solid flows for Large Eddy Simulations

NASA Astrophysics Data System (ADS)

Curran, Thomas; Denner, Fabian; van Wachem, Berend

2017-11-01

The interaction of solid particles with turbulence has for long been a topic of interest for predicting the behavior of industrially relevant flows. For the turbulent fluid phase, Large Eddy Simulation (LES) methods are widely used for their low computational cost, leaving only the sub-grid scales (SGS) of turbulence to be modelled. Although LES has seen great success in predicting the behavior of turbulent single-phase flows, the development of LES for turbulent gas-solid flows is still in its infancy. This contribution aims at constructing a model to describe the four-way coupling of particles in an LES framework, by considering the role particles play in the transport of turbulent kinetic energy across the scales. Firstly, a stochastic model reconstructing the sub-grid velocities for the particle tracking is presented. Secondly, to solve particle-particle interaction, most models involve a deterministic treatment of the collisions. We finally introduce a stochastic model for estimating the collision probability. All results are validated against fully resolved DNS-DPS simulations. The final goal of this contribution is to propose a global stochastic method adapted to two-phase LES simulation where the number of particles considered can be significantly increased. Financial support from PetroBras is gratefully acknowledged.

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.

Optical equivalence of isotropic ensembles of ellipsoidal particles in the Rayleigh-Gans-Debye and anomalous diffraction approximations and its consequences

NASA Astrophysics Data System (ADS)

Paramonov, L. E.

2012-05-01

Light scattering by isotropic ensembles of ellipsoidal particles is considered in the Rayleigh-Gans-Debye approximation. It is proved that randomly oriented ellipsoidal particles are optically equivalent to polydisperse randomly oriented spheroidal particles and polydisperse spherical particles. Density functions of the shape and size distributions for equivalent ensembles of spheroidal and spherical particles are presented. In the anomalous diffraction approximation, equivalent ensembles of particles are shown to also have equal extinction, scattering, and absorption coefficients. Consequences of optical equivalence are considered. The results are illustrated by numerical calculations of the angular dependence of the scattering phase function using the T-matrix method and the Mie theory.

Liquid crystalline phases in suspensions of pigments in non-polar solvents

NASA Astrophysics Data System (ADS)

Klein, Susanne; Richardson, Robert M.; Eremin, Alexey

We will discuss colloid suspensions of pigments and compare their electro-optic properties with those of traditional dyed low molecular weight liquid crystal systems. There are several potential advantages of colloidal suspensions over low molecular weight liquid crystal systems: a very high contrast because of the high orientational order parameter of suspensions of rod shaped nano-particles, the excellent light fastness of pigments as compared to dyes and high colour saturations resulting from the high loading of the colour stuff. Although a weak `single-particle' electro-optic response can be observed in dilute suspensions, the response is very much enhanced when the concentration of the particles is sufficient to lead to a nematic phase. Excellent stability of suspensions is beneficial for experimental observation and reproducibility, but it is a fundamental necessity for display applications. We therefore discuss a method to achieve long term stability of dispersed pigments and the reasons for its success. Small angle X-ray scattering was used to determine the orientational order parameter of the suspensions as a function of concentration and the dynamic response to an applied electric field. Optical properties were investigated for a wide range of pigment concentrations. Electro-optical phenomena, such as field-induced birefringence and switching, were characterised. In addition, mixtures of pigment suspensions with small amounts of ferrofluids show promise as future magneto-optical materials.

Non-Brownian diffusion in lipid membranes: Experiments and simulations.

PubMed

Metzler, R; Jeon, J-H; Cherstvy, A G

2016-10-01

The dynamics of constituents and the surface response of cellular membranes-also in connection to the binding of various particles and macromolecules to the membrane-are still a matter of controversy in the membrane biophysics community, particularly with respect to crowded membranes of living biological cells. We here put into perspective recent single particle tracking experiments in the plasma membranes of living cells and supercomputing studies of lipid bilayer model membranes with and without protein crowding. Special emphasis is put on the observation of anomalous, non-Brownian diffusion of both lipid molecules and proteins embedded in the lipid bilayer. While single component, pure lipid bilayers in simulations exhibit only transient anomalous diffusion of lipid molecules on nanosecond time scales, the persistence of anomalous diffusion becomes significantly longer ranged on the addition of disorder-through the addition of cholesterol or proteins-and on passing of the membrane lipids to the gel phase. Concurrently, experiments demonstrate the anomalous diffusion of membrane embedded proteins up to macroscopic time scales in the minute time range. Particular emphasis will be put on the physical character of the anomalous diffusion, in particular, the occurrence of ageing observed in the experiments-the effective diffusivity of the measured particles is a decreasing function of time. Moreover, we present results for the time dependent local scaling exponent of the mean squared displacement of the monitored particles. Recent results finding deviations from the commonly assumed Gaussian diffusion patterns in protein crowded membranes are reported. The properties of the displacement autocorrelation function of the lipid molecules are discussed in the light of their appropriate physical anomalous diffusion models, both for non-crowded and crowded membranes. In the last part of this review we address the upcoming field of membrane distortion by elongated membrane-binding particles. We discuss how membrane compartmentalisation and the particle-membrane binding energy may impact the dynamics and response of lipid membranes. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. Copyright © 2016 The Authors. Published by Elsevier B.V. All rights reserved.

Scattering Properties of Needle-Like and plate-like Ice Spheroids with Moderate Size Parameters

NASA Technical Reports Server (NTRS)

Zakharova, Nadia T.; Mishchenko, Michael I.; Hansen, James E. (Technical Monitor)

2000-01-01

We use the current advanced version of the T-matrix method to compute the optical cross sections, the asymmetry parameter of the phase function, and the scattering matrix elements of ice spheroids with aspect ratios up to 20 and surface-equivalent-sphere size parameters up to 12. We demonstrate that plate-like and needle-like particles with moderate size parameters possess unique scattering properties: their asymmetry parameters and phase functions are similar to those of surface-equivalent spheres, whereas all other elements of the scattering matrix are typical of particles much smaller than the wavelength (Rayleigh scatterers). This result may have important implications for optical particle sizing and remote sensing of the terrestrial and planetary atmospheres.

Representation of Arctic mixed-phase clouds and the Wegener-Bergeron-Findeisen process in climate models: Perspectives from a cloud-resolving study

NASA Astrophysics Data System (ADS)

Fan, Jiwen; Ghan, Steven; Ovchinnikov, Mikhail; Liu, Xiaohong; Rasch, Philip J.; Korolev, Alexei

2011-01-01

Two types of Arctic mixed-phase clouds observed during the ISDAC and M-PACE field campaigns are simulated using a 3-dimensional cloud-resolving model (CRM) with size-resolved cloud microphysics. The modeled cloud properties agree reasonably well with aircraft measurements and surface-based retrievals. Cloud properties such as the probability density function (PDF) of vertical velocity (w), cloud liquid and ice, regimes of cloud particle growth, including the Wegener-Bergeron-Findeisen (WBF) process, and the relationships among properties/processes in mixed-phase clouds are examined to gain insights for improving their representation in General Circulation Models (GCMs). The PDF of the simulated w is well represented by a Gaussian function, validating, at least for arctic clouds, the subgrid treatment used in GCMs. The PDFs of liquid and ice water contents can be approximated by Gamma functions, and a Gaussian function can describe the total water distribution, but a fixed variance assumption should be avoided in both cases. The CRM results support the assumption frequently used in GCMs that mixed phase clouds maintain water vapor near liquid saturation. Thus, ice continues to grow throughout the stratiform cloud but the WBF process occurs in about 50% of cloud volume where liquid and ice co-exist, predominantly in downdrafts. In updrafts, liquid and ice particles grow simultaneously. The relationship between the ice depositional growth rate and cloud ice strongly depends on the capacitance of ice particles. The simplified size-independent capacitance of ice particles used in GCMs could lead to large deviations in ice depositional growth.

Three-dimensional light trap for reflective particles

DOEpatents

Neal, Daniel R.

1999-01-01

A system for containing either a reflective particle or a particle having an index of refraction lower than that of the surrounding media in a three-dimensional light cage. A light beam from a single source illuminates an optics system and generates a set of at least three discrete focussed beams that emanate from a single exit aperture and focus on to a focal plane located close to the particle. The set of focal spots defines a ring that surrounds the particle. The set of focussed beams creates a "light cage" and circumscribes a zone of no light within which the particle lies. The surrounding beams apply constraining forces (created by radiation pressure) to the particle, thereby containing it in a three-dimensional force field trap. A diffractive element, such as an aperture multiplexed lens, or either a Dammann grating or phase element in combination with a focusing lens, may be used to generate the beams. A zoom lens may be used to adjust the size of the light cage, permitting particles of various sizes to be captured and contained.

Three-dimensional light trap for reflective particles

DOEpatents

Neal, D.R.

1999-08-17

A system is disclosed for containing either a reflective particle or a particle having an index of refraction lower than that of the surrounding media in a three-dimensional light cage. A light beam from a single source illuminates an optics system and generates a set of at least three discrete focused beams that emanate from a single exit aperture and focus on to a focal plane located close to the particle. The set of focal spots defines a ring that surrounds the particle. The set of focused beams creates a ``light cage`` and circumscribes a zone of no light within which the particle lies. The surrounding beams apply constraining forces (created by radiation pressure) to the particle, thereby containing it in a three-dimensional force field trap. A diffractive element, such as an aperture multiplexed lens, or either a Dammann grating or phase element in combination with a focusing lens, may be used to generate the beams. A zoom lens may be used to adjust the size of the light cage, permitting particles of various sizes to be captured and contained. 10 figs.

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.

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.

Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

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

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

2016-05-23

Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters.more » DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.« less

Multifunctional clickable and protein-repellent magnetic silica nanoparticles

NASA Astrophysics Data System (ADS)

Estupiñán, Diego; Bannwarth, Markus B.; Mylon, Steven E.; Landfester, Katharina; Muñoz-Espí, Rafael; Crespy, Daniel

2016-01-01

Silica nanoparticles are versatile materials whose physicochemical surface properties can be precisely adjusted. Because it is possible to combine several functionalities in a single carrier, silica-based materials are excellent candidates for biomedical applications. However, the functionality of the nanoparticles can get lost upon exposure to biological media due to uncontrolled biomolecule adsorption. Therefore, it is important to develop strategies that reduce non-specific protein-particle interactions without losing the introduced surface functionality. Herein, organosilane chemistry is employed to produce magnetic silica nanoparticles bearing differing amounts of amino and alkene functional groups on their surface as orthogonally addressable chemical functionalities. Simultaneously, a short-chain zwitterion is added to decrease the non-specific adsorption of biomolecules on the nanoparticles surface. The multifunctional particles display reduced protein adsorption after incubation in undiluted fetal bovine serum as well as in single protein solutions (serum albumin and lysozyme). Besides, the particles retain their capacity to selectively react with biomolecules. Thus, they can be covalently bio-functionalized with an antibody by means of orthogonal click reactions. These features make the described multifunctional silica nanoparticles a promising system for the study of surface interactions with biomolecules, targeting, and bio-sensing.Silica nanoparticles are versatile materials whose physicochemical surface properties can be precisely adjusted. Because it is possible to combine several functionalities in a single carrier, silica-based materials are excellent candidates for biomedical applications. However, the functionality of the nanoparticles can get lost upon exposure to biological media due to uncontrolled biomolecule adsorption. Therefore, it is important to develop strategies that reduce non-specific protein-particle interactions without losing the introduced surface functionality. Herein, organosilane chemistry is employed to produce magnetic silica nanoparticles bearing differing amounts of amino and alkene functional groups on their surface as orthogonally addressable chemical functionalities. Simultaneously, a short-chain zwitterion is added to decrease the non-specific adsorption of biomolecules on the nanoparticles surface. The multifunctional particles display reduced protein adsorption after incubation in undiluted fetal bovine serum as well as in single protein solutions (serum albumin and lysozyme). Besides, the particles retain their capacity to selectively react with biomolecules. Thus, they can be covalently bio-functionalized with an antibody by means of orthogonal click reactions. These features make the described multifunctional silica nanoparticles a promising system for the study of surface interactions with biomolecules, targeting, and bio-sensing. Electronic supplementary information (ESI) available: Detailed synthetic procedures and additional experimental light scattering and zeta-potential data. See DOI: 10.1039/c5nr08258g

Longitudinal wave function control in single quantum dots with an applied magnetic field

PubMed Central

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A.; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-01

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots. PMID:25624018

Longitudinal wave function control in single quantum dots with an applied magnetic field.

PubMed

Cao, Shuo; Tang, Jing; Gao, Yunan; Sun, Yue; Qiu, Kangsheng; Zhao, Yanhui; He, Min; Shi, Jin-An; Gu, Lin; Williams, David A; Sheng, Weidong; Jin, Kuijuan; Xu, Xiulai

2015-01-27

Controlling single-particle wave functions in single semiconductor quantum dots is in demand to implement solid-state quantum information processing and spintronics. Normally, particle wave functions can be tuned transversely by an perpendicular magnetic field. We report a longitudinal wave function control in single quantum dots with a magnetic field. For a pure InAs quantum dot with a shape of pyramid or truncated pyramid, the hole wave function always occupies the base because of the less confinement at base, which induces a permanent dipole oriented from base to apex. With applying magnetic field along the base-apex direction, the hole wave function shrinks in the base plane. Because of the linear changing of the confinement for hole wave function from base to apex, the center of effective mass moves up during shrinking process. Due to the uniform confine potential for electrons, the center of effective mass of electrons does not move much, which results in a permanent dipole moment change and an inverted electron-hole alignment along the magnetic field direction. Manipulating the wave function longitudinally not only provides an alternative way to control the charge distribution with magnetic field but also a new method to tune electron-hole interaction in single quantum dots.

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

Yang, K.; Yang, H; Johnson, P

Recent angle-resolved photoemission (Yang H.-B. et al., Nature, 456 (2008) 77) and scanning tunneling microscopy (Kohsaka Y. et al., Nature, 454 (2008) 1072) measurements on underdoped cuprates have yielded new spectroscopic information on quasiparticles in the pseudogap phase. New features of the normal state such as particle-hole asymmetry, maxima in the energy dispersion, and accompanying drops in the spectral weight of quasiparticles agree with the ansatz of Yang et al. for the single-particle propagator in the pseudogap phase. The coherent quasiparticle dispersion and reduced asymmetry in the tunneling density of states in the superconducting state can also be described bymore » this propagator.« less

Kinetic phase evolution of spinel cobalt oxide during lithiation

DOE PAGES

Li, Jing; He, Kai; Meng, Qingping; ...

2016-09-15

Spinel cobalt oxide has been proposed to undergo a multiple-step reaction during the electrochemical lithiation process. Understanding the kinetics of the lithiation process in this compound is crucial to optimize its performance and cyclability. In this work, we have utilized a low-angle annular dark-field scanning transmission electron microscopy method to visualize the dynamic reaction process in real time and study the reaction kinetics at different rates. We show that the particles undergo a two-step reaction at the single-particle level, which includes an initial intercalation reaction followed by a conversion reaction. At low rates, the conversion reaction starts after the intercalationmore » reaction has fully finished, consistent with the prediction of density functional theoretical calculations. At high rates, the intercalation reaction is overwhelmed by the subsequently nucleated conversion reaction, and the reaction speeds of both the intercalation and conversion reactions are increased. Phase-field simulations show the crucial role of surface diffusion rates of lithium ions in controlling this process. Furthermore, this work provides microscopic insights into the reaction dynamics in non-equilibrium conditions and highlights the effect of lithium diffusion rates on the overall reaction homogeneity as well as the performance.« less

Kinetic phase evolution of spinel cobalt oxide during lithiation

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

Li, Jing; He, Kai; Meng, Qingping

Spinel cobalt oxide has been proposed to undergo a multiple-step reaction during the electrochemical lithiation process. Understanding the kinetics of the lithiation process in this compound is crucial to optimize its performance and cyclability. In this work, we have utilized a low-angle annular dark-field scanning transmission electron microscopy method to visualize the dynamic reaction process in real time and study the reaction kinetics at different rates. We show that the particles undergo a two-step reaction at the single-particle level, which includes an initial intercalation reaction followed by a conversion reaction. At low rates, the conversion reaction starts after the intercalationmore » reaction has fully finished, consistent with the prediction of density functional theoretical calculations. At high rates, the intercalation reaction is overwhelmed by the subsequently nucleated conversion reaction, and the reaction speeds of both the intercalation and conversion reactions are increased. Phase-field simulations show the crucial role of surface diffusion rates of lithium ions in controlling this process. Furthermore, this work provides microscopic insights into the reaction dynamics in non-equilibrium conditions and highlights the effect of lithium diffusion rates on the overall reaction homogeneity as well as the performance.« less

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.

Fokker-Planck equation of the reduced Wigner function associated to an Ohmic quantum Langevin dynamics

NASA Astrophysics Data System (ADS)

Colmenares, Pedro J.

2018-05-01

This article has to do with the derivation and solution of the Fokker-Planck equation associated to the momentum-integrated Wigner function of a particle subjected to a harmonic external field in contact with an ohmic thermal bath of quantum harmonic oscillators. The strategy employed is a simplified version of the phenomenological approach of Schramm, Jung, and Grabert of interpreting the operators as c numbers to derive the quantum master equation arising from a twofold transformation of the Wigner function of the entire phase space. The statistical properties of the random noise comes from the integral functional theory of Grabert, Schramm, and Ingold. By means of a single Wigner transformation, a simpler equation than that mentioned before is found. The Wigner function reproduces the known results of the classical limit. This allowed us to rewrite the underdamped classical Langevin equation as a first-order stochastic differential equation with time-dependent drift and diffusion terms.

The Bilinear Product Model of Hysteresis Phenomena

NASA Astrophysics Data System (ADS)

Kádár, György

1989-01-01

In ferromagnetic materials non-reversible magnetization processes are represented by rather complex hysteresis curves. The phenomenological description of such curves needs the use of multi-valued, yet unambiguous, deterministic functions. The history dependent calculation of consecutive Everett-integrals of the two-variable Preisach-function can account for the main features of hysteresis curves in uniaxial magnetic materials. The traditional Preisach model has recently been modified on the basis of population dynamics considerations, removing the non-real congruency property of the model. The Preisach-function was proposed to be a product of two factors of distinct physical significance: a magnetization dependent function taking into account the overall magnetization state of the body and a bilinear form of a single variable, magnetic field dependent, switching probability function. The most important statement of the bilinear product model is, that the switching process of individual particles is to be separated from the book-keeping procedure of their states. This empirical model of hysteresis can easily be extended to other irreversible physical processes, such as first order phase transitions.

Self-energy functional theory with symmetry breaking for disordered lattice bosons

NASA Astrophysics Data System (ADS)

Hügel, Dario; Strand, Hugo U. R.; Pollet, Lode

2018-07-01

We extend the self-energy functional theory to the case of interacting lattice bosons in the presence of symmetry breaking and quenched disorder. The self-energy functional we derive depends only on the self-energies of the disorder-averaged propagators, allowing for the construction of general non-perturbative approximations. Using a simple single-site reference system with only three variational parameters, we are able to reproduce numerically exact quantum Monte Carlo (QMC) results on local observables of the Bose–Hubbard model with box disorder with high accuracy. At strong interactions, the phase boundaries are reproduced qualitatively but shifted with respect to the ones observed with QMC due to the extremely low condensate fraction in the superfluid phase. Deep in the strongly-disordered weakly-interacting regime, the simple reference system employed is insufficient and no stationary solutions can be found within its restricted variational subspace. By systematically analyzing thermodynamical observables and the spectral function, we find that the strongly interacting Bose glass is characterized by different regimes, depending on which local occupations are activated as a function of the disorder strength. We find that the particles delocalize into isolated superfluid lakes over a strongly localized background around maximally-occupied sites whenever these sites are particularly rare. Our results indicate that the transition from the Bose glass to the superfluid phase around unit filling at strong interactions is driven by the percolation of superfluid lakes which form around doubly occupied sites.

Gas and Particle Oxidation Products from Ozone Aging of Airborne Diesel Particles

NASA Astrophysics Data System (ADS)

Holmen, B. A.; Chen, Z.

2005-12-01

Diesel exhaust emissions contain fine particulate matter (PM2.5) composed of carbon-based particles with adsorbed compounds, including water soluble and insoluble substances. Many nonpolar organic compounds associated with diesel particulate matter (DPM) are known to be mutagenic and carcinogenic. In the presence of ozone, these DPM compounds can be transformed into polar species that are more toxic and poorly characterized. Understanding the gas and particle reaction products from DPM aging in the presence of tropospheric ozone is important for air quality, climate change and aerosol health effects. Aging experiments were conducted in a flow reactor to identify gas and particle-phase reaction products of DPM exposed to ambient levels of ozone. Diesel bus exhaust particles were collected on filters and then exposed to 0.1 - 0.5 ppm O3 for 0 to 72 h. Gaseous polar organic products formed during the aging experiments were collected on Tenax TA adsorbent coated with PFBHA derivatization agent. A thermal desorption gas chromatography mass spectrometry (TD/GC/MS) method was developed to determine gas-phase and particle-phase organic compounds. PFBHA and BSTFA derivatization agents converted polar species into less polar analogues prior to analysis. Preliminary results indicate that DPM hydrocarbons react with O3 to form many gas-phase polar products containing C=O (carbonyl) and COOH (carboxy) functional groups. Particle-phase PAH and alkane concentrations decreased significantly depending on time of exposure.

High temperature helical tubular receiver for concentrating solar power system

NASA Astrophysics Data System (ADS)

Hossain, Nazmul

In the field of conventional cleaner power generation technology, concentrating solar power systems have introduced remarkable opportunity. In a solar power tower, solar energy concentrated by the heliostats at a single point produces very high temperature. Falling solid particles or heat transfer fluid passing through that high temperature region absorbs heat to generate electricity. Increasing the residence time will result in more heat gain and increase efficiency. A novel design of solar receiver for both fluid and solid particle is approached in this paper which can increase residence time resulting in higher temperature gain in one cycle compared to conventional receivers. The helical tubular solar receiver placed at the focused sunlight region meets the higher outlet temperature and efficiency. A vertical tubular receiver is modeled and analyzed for single phase flow with molten salt as heat transfer fluid and alloy625 as heat transfer material. The result is compared to a journal paper of similar numerical and experimental setup for validating our modeling. New types of helical tubular solar receivers are modeled and analyzed with heat transfer fluid turbulent flow in single phase, and granular particle and air plug flow in multiphase to observe the temperature rise in one cyclic operation. The Discrete Ordinate radiation model is used for numerical analysis with simulation software Ansys Fluent 15.0. The Eulerian granular multiphase model is used for multiphase flow. Applying the same modeling parameters and boundary conditions, the results of vertical and helical receivers are compared. With a helical receiver, higher temperature gain of heat transfer fluid is achieved in one cycle for both single phase and multiphase flow compared to the vertical receiver. Performance is also observed by varying dimension of helical receiver.

Dynamic least-squares kernel density modeling of Fokker-Planck equations with application to neural population.

PubMed

Shotorban, Babak

2010-04-01

The dynamic least-squares kernel density (LSQKD) model [C. Pantano and B. Shotorban, Phys. Rev. E 76, 066705 (2007)] is used to solve the Fokker-Planck equations. In this model the probability density function (PDF) is approximated by a linear combination of basis functions with unknown parameters whose governing equations are determined by a global least-squares approximation of the PDF in the phase space. In this work basis functions are set to be Gaussian for which the mean, variance, and covariances are governed by a set of partial differential equations (PDEs) or ordinary differential equations (ODEs) depending on what phase-space variables are approximated by Gaussian functions. Three sample problems of univariate double-well potential, bivariate bistable neurodynamical system [G. Deco and D. Martí, Phys. Rev. E 75, 031913 (2007)], and bivariate Brownian particles in a nonuniform gas are studied. The LSQKD is verified for these problems as its results are compared against the results of the method of characteristics in nondiffusive cases and the stochastic particle method in diffusive cases. For the double-well potential problem it is observed that for low to moderate diffusivity the dynamic LSQKD well predicts the stationary PDF for which there is an exact solution. A similar observation is made for the bistable neurodynamical system. In both these problems least-squares approximation is made on all phase-space variables resulting in a set of ODEs with time as the independent variable for the Gaussian function parameters. In the problem of Brownian particles in a nonuniform gas, this approximation is made only for the particle velocity variable leading to a set of PDEs with time and particle position as independent variables. Solving these PDEs, a very good performance by LSQKD is observed for a wide range of diffusivities.

Physical and chemical properties of ice residuals during the 2013 and 2014 CLACE campaigns

NASA Astrophysics Data System (ADS)

Kupiszewski, Piotr; Weingartner, Ernest; Vochezer, Paul; Hammer, Emanuel; Gysel, Martin; Färber, Raphael; Fuchs, Claudia; Schnaiter, Martin; Baltensperger, Urs; Schmidt, Susan; Schneider, Johannes; Bigi, Alessandro; Toprak, Emre; Linke, Claudia; Klimach, Thomas

2014-05-01

The shortcomings in our understanding and, thus, representation of aerosol-cloud interactions are one of the major sources of uncertainty in climate model projections. Among the poorly understood processes is mixed-phase cloud formation via heterogeneous nucleation, and the subsequent spatial and temporal evolution of such clouds. Cloud glaciation augments precipitation formation, resulting in decreased cloud cover and lifetime, and affects cloud radiative properties. Meanwhile, the physical and chemical properties of atmospherically relevant ice nuclei (IN), the sub-population of aerosol particles which enable heterogeneous nucleation, are not well known. Extraction of ice residuals (IR) in mixed-phase clouds is a difficult task, requiring separation of the few small, freshly formed ice crystals (the IR within such crystals can be deemed representative of the original IN) not only from interstitial particles, but also from the numerous supercooled droplets which have aerodynamic diameters similar to those of the ice crystals. In order to address the difficulties with ice crystal sampling and IR extraction in mixed-phase clouds, the new Ice Selective Inlet (ISI) has been designed and deployed at the Jungfraujoch field site. Small ice crystals are selectively sampled via the inlet with simultaneous counting, sizing and imaging of hydrometeors contained in the cloud by a set of optical particle spectrometers, namely Welas optical particle counters (OPC) and a Particle Phase Discriminator (PPD). The heart of the ISI is a droplet evaporation unit with ice-covered inner walls, resulting in removal of droplets using the Wegener-Bergeron-Findeisen process, while transmitting a relatively high fraction of small ice crystals. The ISI was deployed in the winters of 2013 and 2014 at the high alpine Jungfraujoch site (3580 m.a.s.l) during the intensive CLACE field campaigns. The measurements focused on analysis of the physical and chemical characteristics of IR and the microphysical properties of mixed-phase clouds. A host of aerosol instrumentation was deployed downstream of the ISI, including a Grimm OPC and a scanning mobility particle sizer (SMPS) for number size distribution measurements, as well as a single particle mass spectrometer (ALABAMA; 2013 only), single particle soot photometers (SP2) and a Wideband Integrated Bioaerosol Sensor (WIBS-4) for analysis of the chemical composition, with particular focus on the content of black carbon (BC) and biological particles in IR. Corresponding instrumentation sampled through a total aerosol inlet. By comparing observations from the ISI with those from the total inlet the characteristics of ice residuals relative to the total aerosol could be established. First results from these analyses will be presented.

Mass Spectrometry of Single Particles Levitated in an Electrodynamic Balance: Applications to Laboratory Atmospheric Chemistry Research

NASA Astrophysics Data System (ADS)

Birdsall, A.; Krieger, U. K.; Keutsch, F. N.

2017-12-01

Dynamic changes to atmospheric aerosol particle composition (e.g., originating from evaporation/condensation, oxidative aging, or aqueous-phase chemical reactions) impact particle properties with importance for understanding particle effects on climate and human health. These changes can take place over the entire lifetime of an atmospheric particle, which can extend over multiple days. Previous laboratory studies of such processes have included analyzing single particles suspended in a levitation device, such as an electrodynamic balance (EDB), an optical levitator, or an acoustic trap, using optical detection techniques. However, studying chemically complex systems can require an analytical method, such as mass spectrometry, that provides more molecular specificity. Existing work coupling particle levitation with mass spectrometry is more limited and largely has consisted of acoustic levitation of millimeter-sized droplets.In this work an EDB has been coupled with a custom-built ionization source and commercial time-of-flight mass spectrometer (MS) as a platform for laboratory atmospheric chemistry research. Single charged particles (radius 10 μm) have been injected into an EDB, levitated for an arbitrarily long period of time, and then transferred to a vaporization-corona discharge ionization region for MS analysis. By analyzing a series of particles of identical composition, residing in the controlled environment of the EDB for varying times, we can trace the chemical evolution of a particle over hours or days, appropriate timescales for understanding transformations of atmospheric particles.To prove the concept of our EDB-MS system, we have studied the evaporation of particles consisting of polyethylene glycol (PEG) molecules of mixed chain lengths, used as a benchmark system. Our system can quantify the composition of single particles (see Figure for sample spectrum of a single PEG-200 particle: PEG parent ions labeled with m/z, known PEG fragment ions labeled with *). Furthermore, our measured evaporation rates are consistent with a kinetic model. We will discuss future types of experiments enabled by EDB-MS, by allowing detailed chemical changes of a particle in a controlled laboratory environment to be monitored on timescales mimicking those of particles in the atmosphere.

Environmental solid particle effects on compressor cascade performance

NASA Technical Reports Server (NTRS)

Tabakoff, W.; Balan, C.

1982-01-01

The effect of suspended solid particles on the performance of the compressor cascade was investigated experimentally in a specially built cascade tunnel, using quartz sand particles. The cascades were made of NACA 65(10)10 airfoils. Three cascades were tested, one accelerating cascade and two diffusing cascades. The theoretical analysis assumes inviscid and incompressible two dimensional flow. The momentum exchange between the fluid and the particle is accounted for by the interphase force terms in the fluid momentum equation. The modified fluid phase momentum equations and the continuity equation are reduced to the conventional stream function vorticity formulation. The method treats the fluid phase in the Eulerian system and the particle phase in Lagrangian system. The experimental results indicate a small increase in the blade surface static pressures, while the theoretical results indicate a small decrease. The theoretical analysis, also predicts the loss in total pressure associated with the particulate flow through the cascade.

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.

Inside versus Outside: Ion Redistribution in Nitric Acid Reacted Sea Spray Aerosol Particles as Determined by Single Particle Analysis (Invited)

NASA Astrophysics Data System (ADS)

Ault, A. P.; Guasco, T.; Ryder, O. S.; Baltrusaitis, J.; Cuadra-Rodriguez, L. A.; Collins, D. B.; Ruppel, M. J.; Bertram, T. H.; Prather, K. A.; Grassian, V. H.

2013-12-01

Sea spray aerosol (SSA) particles were generated under real-world conditions using natural seawater and a unique ocean-atmosphere facility equipped with actual breaking waves or a marine aerosol reference tank (MART) that replicates those conditions. The SSA particles were exposed to nitric acid in situ in a flow tube and the well-known chloride displacement and nitrate formation reaction was observed. However, as discussed here, little is known about how this anion displacement reaction affects the distribution of cations and other chemical constituents within and phase state of individual SSA particles. Single particle analysis of individual SSA particles shows that cations (Na+, K+, Mg2+ and Ca2+) within individual particles undergo a spatial redistribution after heterogeneous reaction with nitric acid, along with a more concentrated layer of organic matter at the surface of the particle. These data suggest that specific ion and aerosol pH effects play an important role in aerosol particle structure in ways that have not been previously recognized. The ordering of organic coatings can impact trace gas uptake, and subsequently impact trace gas budgets of O3 and NOx.

Slip-stacking Dynamics for High-Power Proton Beams at Fermilab

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

Eldred, Jeffrey Scott

Slip-stacking is a particle accelerator configuration used to store two particle beams with different momenta in the same ring. The two beams are longitudinally focused by two radiofrequency (RF) cavities with a small frequency difference between them. Each beam is synchronized to one RF cavity and perturbed by the other RF cavity. Fermilab uses slip-stacking in the Recycler so as to double the power of the 120 GeV proton beam in the Main Injector. This dissertation investigates the dynamics of slip-stacking beams analytically, numerically and experimentally. In the analytic analysis, I find the general trajectory of stable slip-stacking particles andmore » identify the slip-stacking parametric resonances. In the numerical analysis, I characterize the stable phase-space area and model the particle losses. In particular, I evaluate the impact of upgrading the Fermilab Booster cycle-rate from 15 Hz to 20 Hz as part of the Proton Improvement Plan II (PIP-II). The experimental analysis is used to verify my approach to simulating slip-stacking loss. I design a study for measuring losses from the longitudinal single-particle dynamics of slip-stacking as a function of RF cavity voltage and RF frequency separation. I further propose the installation of a harmonic RF cavity and study the dynamics of this novel slip-stacking configuration. I show the harmonic RF cavity cancels out parametric resonances in slip-stacking, reduces emittance growth during slip-stacking, and dramatically enhances the stable phase-space area. The harmonic cavity is expected to reduce slip-stacking losses to far exceed PIP-II requirements. These results raise the possibility of extending slip-stacking beyond the PIP-II era.« less

Silver transfer in proustite Ag{sub 3}AsS{sub 3} at high temperatures: Conductivity and single-crystal X-ray studies

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

Gagor, Anna; Pawlowski, Antoni; Pietraszko, Adam

2009-03-15

Single crystals of proustite Ag{sub 3}AsS{sub 3} have been characterised by impedance spectroscopy and single-crystal X-ray diffraction in the temperature ranges of 295-543 and 295-695 K, respectively. An analysis of the one-particle potential of silver atoms shows that in the whole measuring temperature range defects in the silver substructure play a major role in the conduction mechanism. Furthermore, the silver transfer is equally probable within silver chains and spirals, as well as between chains and spirals. The trigonal R3c room temperature phase does not change until the decomposition of the crystal. The electric anomaly of the first-order character which appearsmore » near 502 K is related to an increase in the electronic component of the total conductivity resulting from Ag{sub 2}S deposition at the sample surface. - Joint probability density function map of silver atoms at T=695 K.« less

Diffusivity of dicarboxylic acids molecules to secondary organic material governed by particle phase state

NASA Astrophysics Data System (ADS)

Han, Y.; Gong, Z.; Liu, P.; de Sá, S. S.; McKinney, K. A.; Martin, S. T.

2017-12-01

Atmospheric secondary organic material (SOM) from oxidation of volatile organic compounds can exist in amorphous solid, semisolid, and liquid states depending on a range of factors such as relative humidity (RH), temperature, and reaction history. The phase state of SOM affects the dynamic exchange and reactivity between particles and gas-phase molecules. Dicarboxylic acids are ubiquitous in ambient atmosphere and the uptake of which may lead to substantial changes in hygroscopicity, absorption property, and light scattering of aerosol particles. This study investigates the diffusivity of dicarboxylic acids to the matrix of SOM particles. SOM was generated from dark ozonolysis of a-pinene in Harvard Environmental Chamber. The produced SOM particles were passed through an ozone scrubber to remove gas-phase chemistry before being led into a flask reactor, where gas-phase dicarboxylic acid was injected continuously and RH was varied from 5% to 85%. The probe dicarboxylic acids molecules including malonic acid and a-ketoglutaric acid have been investigated for the uptake to SOM particles. Organic composition in the outflow of the flask was measured with a high-resolution time-of-flight aerosol mass spectrometer. The mass fractions of tracer ions in total organic mass for both malonic acid and a-ketoglutaric acid increased substantially with the increase of RH values. The tracer ions of malonic acid were also more abundant in a-pinene SOM particles with increased gas-phase concentrations. These results suggest that the diffusion of the studied dicarboxylic acids molecules to a-pinene SOM particles was enhanced at increased RH values, which is possibly due to the phase transition of a-pinene SOM particles from non-liquid to liquid states. Therefore, particle phase state may be an important factor governing the diffusivity of dicarboxylic acids molecules to a-pinene SOM. Further dicarboxylic acids with various functional groups will be investigated to understand the effects of volatility and structure on their diffusivity.

Rotational motion of elongated particles in isotropic turbulent flow: statistical perspective

NASA Astrophysics Data System (ADS)

Zhao, Lihao; Andersson, Helge; Variano, Evan

2014-11-01

We consider the rotational motion of non-spherical particles in turbulent flow, comparing the statistics of particles' angular velocity to the corresponding quantities computed in the fluid phase. We use numerical (DNS) and laboratory measurements for particles that are both larger and smaller than the Kolmogorov lengthscale. The particles are spheroids or rods, with aspect ratios between 1 and 10. We will discuss the subtleties of defining a meaningful Stokes number for these particles, focusing on the effect of asphericity and the fact that our interest is in rotation and not translation. Comparing the probability density function of angular velocity between fluid and particle phase indicates that the angular velocity of particles has a narrower distribution than that of the fluid phase, and that. particles do respond to extreme events in the fluid phase. The first four moments of the PDFs are analyzed, and these show that the ``filtering'' effect is very similar between DNS and lab experiments, despite differences in particle sizes and mass. We propose a nondimensional curve for predicting the magnitude of the filtering effect, and discuss the implications of this curve for the definition of Stokes number, as discussed earlier. This work has been supported by grants from the Peder Sather Center for Advanced Study at UC Berkeley and from the Research Council of Norway (Contract No. 213917/F20).

Phase-field modeling of diffusional phase behaviors of solid surfaces: A case study of phase-separating Li XFePO 4 electrode particles

DOE PAGES

Heo, Tae Wook; Chen, Long-Qing; Wood, Brandon C.

2015-04-08

In this paper, we present a comprehensive phase-field model for simulating diffusion-mediated kinetic phase behaviors near the surface of a solid particle. The model incorporates elastic inhomogeneity and anisotropy, diffusion mobility anisotropy, interfacial energy anisotropy, and Cahn–Hilliard diffusion kinetics. The free energy density function is formulated based on the regular solution model taking into account the possible solute-surface interaction near the surface. The coherency strain energy is computed using the Fourier-spectral iterative-perturbation method due to the strong elastic inhomogeneity with a zero surface traction boundary condition. Employing a phase-separating Li XFePO 4 electrode particle for Li-ion batteries as a modelmore » system, we perform parametric three-dimensional computer simulations. The model permits the observation of surface phase behaviors that are different from the bulk counterpart. For instance, it reproduces the theoretically well-established surface modes of spinodal decomposition of an unstable solid solution: the surface mode of coherent spinodal decomposition and the surface-directed spinodal decomposition mode. We systematically investigate the influences of major factors on the kinetic surface phase behaviors during the diffusional process. Finally, our simulation study provides insights for tailoring the internal phase microstructure of a particle by controlling the surface phase morphology.« less

Numerical and Analytical Model of an Electrodynamic Dust Shield for Solar Panels on Mars

NASA Technical Reports Server (NTRS)

Calle, C. I.; Linell, B.; Chen, A.; Meyer, J.; Clements, S.; Mazumder, M. K.

2006-01-01

Masuda and collaborators at the University of Tokyo developed a method to confine and transport particles called the electric curtain in which a series of parallel electrodes connected to an AC source generates a traveling wave that acts as a contactless conveyor. The curtain electrodes can be excited by a single-phase or a multi-phase AC voltage. A multi-phase curtain produces a non-uniform traveling wave that provides controlled transport of those particles [1-6]. Multi-phase electric curtains from two to six phases have been developed and studied by several research groups [7-9]. We have developed an Electrodynamic Dust Shield prototype using threephase AC voltage electrodes to remove dust from surfaces. The purpose of the modeling work presented here is to research and to better understand the physics governing the electrodynamic shield, as well as to advance and to support the experimental dust shield research.

A green synthesis of a layered titanate, potassium lithium titanate; lower temperature solid-state reaction and improved materials performance

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

Ogawa, Makoto, E-mail: waseda.ogawa@gmail.com; Department of Earth Sciences, Waseda University, 1-6-1 Nishiwaseda, Shinjuku-ku, Tokyo 169-8050; Morita, Masashi, E-mail: m-masashi@y.akane.waseda.jp

2013-10-15

A layered titanate, potassium lithium titanate, with the size range from 0.1 to 30 µm was prepared to show the effects of the particle size on the materials performance. The potassium lithium titanate was prepared by solid-state reaction as reported previously, where the reaction temperature was varied. The reported temperature for the titanate preparation was higher than 800 °C, though 600 °C is good enough to obtain single-phase potassium lithium titanate. The lower temperature synthesis is cost effective and the product exhibit better performance as photocatalysts due to surface reactivity. - Graphical abstract: Finite particle of a layered titanate, potassiummore » lithium titanate, was prepared by solid-state reaction at lower temperature to show modified materials performance. Display Omitted - Highlights: • Potassium lithium titanate was prepared by solid-state reaction. • Lower temperature reaction resulted in smaller sized particles of titanate. • 600 °C was good enough to obtain single phased potassium lithium titanate. • The product exhibited better performance as photocatalyst.« less

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r {sup 6}) to O(r {sup 4})

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

Shenvi, Neil; Yang, Yang; Yang, Weitao

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r{sup 6}), the THC-ppRPA algorithm scales asymptotically as only O(r{sup 4}), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditionalmore » ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations.« less

Tensor hypercontracted ppRPA: Reducing the cost of the particle-particle random phase approximation from O(r 6) to O(r 4)

NASA Astrophysics Data System (ADS)

Shenvi, Neil; van Aggelen, Helen; Yang, Yang; Yang, Weitao

2014-07-01

In recent years, interest in the random-phase approximation (RPA) has grown rapidly. At the same time, tensor hypercontraction has emerged as an intriguing method to reduce the computational cost of electronic structure algorithms. In this paper, we combine the particle-particle random phase approximation with tensor hypercontraction to produce the tensor-hypercontracted particle-particle RPA (THC-ppRPA) algorithm. Unlike previous implementations of ppRPA which scale as O(r6), the THC-ppRPA algorithm scales asymptotically as only O(r4), albeit with a much larger prefactor than the traditional algorithm. We apply THC-ppRPA to several model systems and show that it yields the same results as traditional ppRPA to within mH accuracy. Our method opens the door to the development of post-Kohn Sham functionals based on ppRPA without the excessive asymptotic cost of traditional ppRPA implementations.

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.

Singularity and stability in a periodic system of particle accelerators

NASA Astrophysics Data System (ADS)

Cai, Yunhai

2018-05-01

We study the single-particle dynamics in a general and parametrized alternating-gradient cell with zero chromaticity using the Lie algebra method. To our surprise, the first-order perturbation of the sextupoles largely determines the dynamics away from the major resonances. The dynamic aperture can be estimated from the topology and geometry of the phase space. In the linearly normalized phase space, it is scaled according to A ¯ ∝ϕ √{L } , where ϕ is the bending angle and L the length of the cell. For the 2 degrees of freedom with equal betatron tunes, the analytical perturbation theory leads us to the invariant or quasi-invariant tori, which play an important role in determining the stable volume in the four-dimensional phase space.

Frequency maps as a probe of secular evolution in the Milky Way

NASA Astrophysics Data System (ADS)

Valluri, Monica

2015-03-01

The frequency analysis of the orbits of halo stars and dark matter particles from a cosmological hydrodynamical simulation of a disk galaxy from the MUGS collaboration (Stinson et al. 2010) shows that even if the shape of the dark matter halo is nearly oblate, only about 50% of its orbits are on short-axis tubes, confirming a previous result: under baryonic condensation all orbit families can deform their shapes without changing orbital type (Valluri et al. 2010). Orbits of dark matter particles and halo stars are very similar reflecting their common accretion origin and the influence of baryons. Frequency maps provide a compact representation of the 6-D phase space distribution that also reveals the history of the halo (Valluri et al. 2012). The 6-D phase space coordinates for a large population of halo stars in the Milky Way that will be obtained from future surveys can be used to reconstruct the phase-space distribution function of the stellar halo. The similarity between the frequency maps of halo stars and dark matter particles (Fig. 1) implies that reconstruction of the stellar halo distribution function can reveal the phase space distribution of the unseen dark matter particles and provide evidence for secular evolution. MV is supported by NSF grant AST-0908346 and the Elizabeth Crosby grant.

Magnetic properties of the Fe{sup II} spin crossover complex in emulsion polymerization of trifluoroethylmethacrylate using poly(vinyl alcohol)

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

Suzuki, Atsushi, E-mail: suzuki@mat.usp.ac.j; Iguchi, Motoi; Oku, Takeo

2010-04-15

Influence of chemical substitution in the Fe{sup II} spin crossover complex on magnetic properties in emulsion polymerization of trifluoroethylmethacrylate using poly(vinyl alcohol) as a protective colloid was investigated near its high spin/low spin (HS/LS) phase transition. The obvious bi-stability of the HS/LS phase transition was considered by the identification of multiple spin states between the quintet (S=2) states to single state (S=0) across the excited triplet state (S=1). Magnetic parameters of gradual shifts of anisotropy g-tensor supported by the molecular distortion of the spin crossover complex would arise from a Jahn-Teller effect regarding ligand field theory on the basis ofmore » a B3LYP density functional theory using electron spin resonance (ESR) spectrum and X-ray powder diffraction. - Graphical abstract: AFM surface image of the emulsion particles with the spin crossover complex.« less

The thermodynamic properties of normal liquid helium 3

NASA Astrophysics Data System (ADS)

Modarres, M.; Moshfegh, H. R.

2009-09-01

The thermodynamic properties of normal liquid helium 3 are calculated by using the lowest order constrained variational (LOCV) method. The Landau Fermi liquid model and Fermi-Dirac distribution function are considered as our statistical model for the uncorrelated quantum fluid picture and the Lennard-Jones and Aziz potentials are used in our truncated cluster expansion (LOCV) to calculate the correlated energy. The single particle energy is treated variationally through an effective mass. The free energy, pressure, entropy, chemical potential and liquid phase diagram as well as the helium 3 specific heat are evaluated, discussed and compared with the corresponding available experimental data. It is found that the critical temperature for the existence of the pure gas phase is about 4.90 K (4.45 K), which is higher than the experimental prediction of 3.3 K, and the helium 3 flashing temperature is around 0.61 K (0.50 K) for the Lennard-Jones (Aziz) potential.

Measurement of differential cross sections for top quark pair production using the lepton + jets final state in proton-proton collisions at 13 TeV

DOE PAGES

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

2017-05-01

Differential and double-differential cross sections for the production of top quark pairs in proton-proton collisions at 13 TeV are measured as a function of jet multiplicity and of kinematic variables of the top quarks and the top quark-antiquark system. This analysis is based on data collected by the CMS experiment at the LHC corresponding to an integrated luminosity of 2.3 fb –1. The measurements are performed in the lepton+jets decay channels with a single muon or electron in the final state. Furthermore, the differential cross sections are presented at particle level, within a phase space close to the experimental acceptance,more » and at parton level in the full phase space. The results are compared to several standard model predictions.« less

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.

Improved lithium iodide neutron scintillator with Eu 2+ activation: The elimination of Suzuki-Phase precipitates

DOE PAGES

Boatner, Lynn A.; Comer, Eleanor P.; Wright, Gomez W.; ...

2017-02-21

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu 2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalentmore » Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above ~0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu 2+ at concentrations up to and in excess of 3 wt.%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. Furthermore, the resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.« less

Improved lithium iodide neutron scintillator with Eu2+ activation: The elimination of Suzuki-Phase precipitates

NASA Astrophysics Data System (ADS)

Boatner, L. A.; Comer, E. P.; Wright, G. W.; Ramey, J. O.; Riedel, R. A.; Jellison, G. E.; Kolopus, J. A.

2017-05-01

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalent Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above 0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu2+ at concentrations up to and in excess of 3 wt%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. The resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.

Possible role of ammonia on the deposition, retention, and absorption of nicotine in humans while smoking.

PubMed

Seeman, Jeffrey I

2007-03-01

This perspective presents an overview of the properties of tobacco smoke aerosol and the possible effect of ammonia on the deposition location, retention and the amount and rate of nicotine absorption during cigarette smoking. Three main mechanisms describe the absorption of smoke constituents: (A) gas-phase constituents deposit directly; (B) particles deposit and the constituents then diffuse through the particle into the biological buffer and then into the tissue; and (C) particulate phase constituents evaporate from the particles and then deposit from the gas phase. Nicotine from smoking deposits and is absorbed predominately in the lungs. When particles deposit on the lung-blood interfaces, nicotine is absorbed rapidly, regardless of the acid-base nature of the particles. This is due to the buffering capacity of the lung-blood interfaces and the small mass of nicotine per puff distributed over a large number of particles depositing onto a huge lung surface. The composition of both tobacco smoke aerosol particles and the gas phase are time dependent. Ammonia in mainstream smoke evaporates faster from particles than nicotine. It is, therefore, unlikely that ammonia can significantly affect the volatility of MS smoke nicotine from particles in the smoke aerosol. It is certain that no single measurement of tobacco or of smoke, especially one made under equilibrium conditions, can adequately characterize the time-dependent properties of mainstream smoke aerosol. Thus, the fraction of nonprotonated freebase nicotine in trapped, aged smoke particulate matter has not been shown to be a useful predictor of the amount or total rate of nicotine uptake in human smokers. Similarly, "smoke pH" and "pHeff" are not useful practical parameters for providing understanding or predictability of tobacco smoke chemistry or nicotine bioavailability.

The 27-28 October 1986 FIRE IFO Cirrus Case Study: Cloud Optical Properties Determined by High Spectral Resolution Lidar

NASA Technical Reports Server (NTRS)

Grund, C. J.; Eloranta, E. W.

1996-01-01

During the First ISCCP Region Experiment (FIRE) cirrus intensive field observation (IFO) the High Spectral Resolution Lidar was operated from a roof top site on the University of Wisconsin-Madison campus. Because the HSRL technique separately measures the molecular and cloud particle backscatter components of the lidar return, the optical thickness is determined independent of particle backscatter. This is accomplished by comparing the known molecular density distribution to the observed decrease in molecular backscatter signal with altitude. The particle to molecular backscatter ratio yields calibrated measurements of backscatter cross sections that can be plotted ro reveal cloud morphology without distortion due to attenuation. Changes in cloud particle size, shape, and phase affect the backscatter to extinction ratio (backscatter-phase function). The HSRL independently measures cloud particle backscatter phase function. This paper presents a quantitative analysis of the HSRL cirrus cloud data acquired over an approximate 33 hour period of continuous near zenith observations. Correlations between small scale wind structure and cirrus cloud morphology have been observed. These correlations can bias the range averaging inherent in wind profiling lidars of modest vertical resolution, leading to increased measurement errors at cirrus altitudes. Extended periods of low intensity backscatter were noted between more strongly organized cirrus cloud activity. Optical thicknesses ranging from 0.01-1.4, backscatter phase functions between 0.02-0.065 sr (exp -1) and backscatter cross sections spanning 4 orders of magnitude were observed. the altitude relationship between cloud top and bottom boundaries and the cloud optical center altitude was dependent on the type of formation observed Cirrus features were observed with characteristic wind drift estimated horizontal sizes of 5-400 km. The clouds frequently exhibited cellular structure with vertical to horizontal dimension ratios of 1:5-1:1.

Charged-particle spectroscopy in organic semiconducting single crystals

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

Ciavatti, A.; Basiricò, L.; Fraboni, B.

2016-04-11

The use of organic materials as radiation detectors has grown, due to the easy processability in liquid phase at room temperature and the possibility to cover large areas by means of low cost deposition techniques. Direct charged-particle detectors based on solution-grown Organic Semiconducting Single Crystals (OSSCs) are shown to be capable to detect charged particles in pulse mode, with very good peak discrimination. The direct charged-particle detection in OSSCs has been assessed both in the planar and in the vertical axes, and a digital pulse processing algorithm has been used to perform pulse height spectroscopy and to study the chargemore » collection efficiency as a function of the applied bias voltage. Taking advantage of the charge spectroscopy and the good peak discrimination of pulse height spectra, an Hecht-like behavior of OSSCs radiation detectors is demonstrated. It has been possible to estimate the mobility-lifetime value in organic materials, a fundamental parameter for the characterization of radiation detectors, whose results are equal to μτ{sub coplanar} = (5 .5 ± 0.6 ) × 10{sup −6} cm{sup 2}/V and μτ{sub sandwich} = (1 .9 ± 0.2 ) × 10{sup −6} cm{sup 2}/V, values comparable to those of polycrystalline inorganic detectors. Moreover, alpha particles Time-of-Flight experiments have been carried out to estimate the drift mobility value. The results reported here indicate how charged-particle detectors based on OSSCs possess a great potential as low-cost, large area, solid-state direct detectors operating at room temperature. More interestingly, the good detection efficiency and peak discrimination observed for charged-particle detection in organic materials (hydrogen-rich molecules) are encouraging for their further exploitation in the detection of thermal and high-energy neutrons.« less

Fractal morphology, imaging and mass spectrometry of single aerosol particles in flight (CXIDB ID 16)

DOE Data Explorer

Loh, N. Duane

2012-06-20

This deposition includes the aerosol diffraction images used for phasing, fractal morphology, and time-of-flight mass spectrometry. Files in this deposition are ordered in subdirectories that reflect the specifics.

New instrument for tribocharge measurement due to single particle impacts.

PubMed

Watanabe, Hideo; Ghadiri, Mojtaba; Matsuyama, Tatsushi; Ding, Yu Long; Pitt, Kendal G

2007-02-01

During particulate solid processing, particle-particle and particle-wall collisions can generate electrostatic charges. This may lead to a variety of problems ranging from fire and explosion hazards to segregation, caking, and blocking. A fundamental understanding of the particle charging in such situations is therefore essential. For this purpose we have developed a new device that can measure charge transfer due to impact between a single particle and a metal plate. The device consists of an impact test system and two sets of Faraday cage and preamplifier for charge measurement. With current amplifiers, high-resolution measurements of particle charges of approximately 1 and 10 fC have been achieved before and after the impact, respectively. The device allows charge measurements of single particles with a size as small as approximately 100 microm impacting on the target at different incident angles with a velocity up to about 80 m/s. Further analyses of the charge transfer as a function of particle initial charge define an equilibrium charge, i.e., an initial charge level prior to impact for which no net charge transfer would occur as a result of impact.

New instrument for tribocharge measurement due to single particle impacts

NASA Astrophysics Data System (ADS)

Watanabe, Hideo; Ghadiri, Mojtaba; Matsuyama, Tatsushi; Long Ding, Yu; Pitt, Kendal G.

2007-02-01

During particulate solid processing, particle-particle and particle-wall collisions can generate electrostatic charges. This may lead to a variety of problems ranging from fire and explosion hazards to segregation, caking, and blocking. A fundamental understanding of the particle charging in such situations is therefore essential. For this purpose we have developed a new device that can measure charge transfer due to impact between a single particle and a metal plate. The device consists of an impact test system and two sets of Faraday cage and preamplifier for charge measurement. With current amplifiers, high-resolution measurements of particle charges of approximately 1 and 10fC have been achieved before and after the impact, respectively. The device allows charge measurements of single particles with a size as small as ˜100μm impacting on the target at different incident angles with a velocity up to about 80m/s. Further analyses of the charge transfer as a function of particle initial charge define an equilibrium charge, i.e., an initial charge level prior to impact for which no net charge transfer would occur as a result of impact.

Holographic acoustic elements for manipulation of levitated objects.

PubMed

Marzo, Asier; Seah, Sue Ann; Drinkwater, Bruce W; Sahoo, Deepak Ranjan; Long, Benjamin; Subramanian, Sriram

2015-10-27

Sound can levitate objects of different sizes and materials through air, water and tissue. This allows us to manipulate cells, liquids, compounds or living things without touching or contaminating them. However, acoustic levitation has required the targets to be enclosed with acoustic elements or had limited manoeuvrability. Here we optimize the phases used to drive an ultrasonic phased array and show that acoustic levitation can be employed to translate, rotate and manipulate particles using even a single-sided emitter. Furthermore, we introduce the holographic acoustic elements framework that permits the rapid generation of traps and provides a bridge between optical and acoustical trapping. Acoustic structures shaped as tweezers, twisters or bottles emerge as the optimum mechanisms for tractor beams or containerless transportation. Single-beam levitation could manipulate particles inside our body for applications in targeted drug delivery or acoustically controlled micro-machines that do not interfere with magnetic resonance imaging.

Holographic acoustic elements for manipulation of levitated objects

NASA Astrophysics Data System (ADS)

Marzo, Asier; Seah, Sue Ann; Drinkwater, Bruce W.; Sahoo, Deepak Ranjan; Long, Benjamin; Subramanian, Sriram

2015-10-01

Sound can levitate objects of different sizes and materials through air, water and tissue. This allows us to manipulate cells, liquids, compounds or living things without touching or contaminating them. However, acoustic levitation has required the targets to be enclosed with acoustic elements or had limited manoeuvrability. Here we optimize the phases used to drive an ultrasonic phased array and show that acoustic levitation can be employed to translate, rotate and manipulate particles using even a single-sided emitter. Furthermore, we introduce the holographic acoustic elements framework that permits the rapid generation of traps and provides a bridge between optical and acoustical trapping. Acoustic structures shaped as tweezers, twisters or bottles emerge as the optimum mechanisms for tractor beams or containerless transportation. Single-beam levitation could manipulate particles inside our body for applications in targeted drug delivery or acoustically controlled micro-machines that do not interfere with magnetic resonance imaging.

Holographic acoustic elements for manipulation of levitated objects

PubMed Central

Marzo, Asier; Seah, Sue Ann; Drinkwater, Bruce W.; Sahoo, Deepak Ranjan; Long, Benjamin; Subramanian, Sriram

2015-01-01

Sound can levitate objects of different sizes and materials through air, water and tissue. This allows us to manipulate cells, liquids, compounds or living things without touching or contaminating them. However, acoustic levitation has required the targets to be enclosed with acoustic elements or had limited manoeuvrability. Here we optimize the phases used to drive an ultrasonic phased array and show that acoustic levitation can be employed to translate, rotate and manipulate particles using even a single-sided emitter. Furthermore, we introduce the holographic acoustic elements framework that permits the rapid generation of traps and provides a bridge between optical and acoustical trapping. Acoustic structures shaped as tweezers, twisters or bottles emerge as the optimum mechanisms for tractor beams or containerless transportation. Single-beam levitation could manipulate particles inside our body for applications in targeted drug delivery or acoustically controlled micro-machines that do not interfere with magnetic resonance imaging. PMID:26505138

Electrical tweezer for highly parallelized electrorotation measurements over a wide frequency bandwidth.

PubMed

Rohani, Ali; Varhue, Walter; Su, Yi-Hsuan; Swami, Nathan S

2014-07-01

Electrorotation (ROT) is a powerful tool for characterizing the dielectric properties of cells and bioparticles. However, its application has been somewhat limited by the need to mitigate disruptions to particle rotation by translation under positive DEP and by frictional interactions with the substrate. While these disruptions may be overcome by implementing particle positioning schemes or field cages, these methods restrict the frequency bandwidth to the negative DEP range and permit only single particle measurements within a limited spatial extent of the device geometry away from field nonuniformities. Herein, we present an electrical tweezer methodology based on a sequence of electrical signals, composed of negative DEP using 180-degree phase-shifted fields for trapping and levitation of the particles, followed by 90-degree phase-shifted fields over a wide frequency bandwidth for highly parallelized electrorotation measurements. Through field simulations of the rotating electrical field under this wave-sequence, we illustrate the enhanced spatial extent for electrorotation measurements, with no limitations to frequency bandwidth. We apply this methodology to characterize subtle modifications in morphology and electrophysiology of Cryptosporidium parvum with varying degrees of heat treatment, in terms of shifts in the electrorotation spectra over the 0.05-40 MHz region. Given the single particle sensitivity and the ability for highly parallelized electrorotation measurements, we envision its application toward characterizing heterogeneous subpopulations of microbial and stem cells. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Numerical simulation support to the ESA/THOR mission

NASA Astrophysics Data System (ADS)

Valentini, F.; Servidio, S.; Perri, S.; Perrone, D.; De Marco, R.; Marcucci, M. F.; Daniele, B.; Bruno, R.; Camporeale, E.

2016-12-01

THOR is a spacecraft concept currently undergoing study phase as acandidate for the next ESA medium size mission M4. THOR has been designedto solve the longstanding physical problems of particle heating andenergization in turbulent plasmas. It will provide high resolutionmeasurements of electromagnetic fields and particle distribution functionswith unprecedented resolution, with the aim of exploring the so-calledkinetic scales. We present the numerical simulation framework which is supporting the THOR mission during the study phase. The THOR teamincludes many scientists developing and running different simulation codes(Eulerian-Vlasov, Particle-In-Cell, Gyrokinetics, Two-fluid, MHD, etc.),addressing the physics of plasma turbulence, shocks, magnetic reconnectionand so on.These numerical codes are being used during the study phase, mainly withthe aim of addressing the following points:(i) to simulate the response of real particle instruments on board THOR, byemploying an electrostatic analyser simulator which mimics the response ofthe CSW, IMS and TEA instruments to the particle velocity distributions ofprotons, alpha particle and electrons, as obtained from kinetic numericalsimulations of plasma turbulence.(ii) to compare multi-spacecraft with single-spacecraft configurations inmeasuring current density, by making use of both numerical models ofsynthetic turbulence and real data from MMS spacecraft.(iii) to investigate the validity of the Taylor hypothesis indifferent configurations of plasma turbulence

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.

A Hidden Markov Model for Single Particle Tracks Quantifies Dynamic Interactions between LFA-1 and the Actin Cytoskeleton

PubMed Central

Das, Raibatak; Cairo, Christopher W.; Coombs, Daniel

2009-01-01

The extraction of hidden information from complex trajectories is a continuing problem in single-particle and single-molecule experiments. Particle trajectories are the result of multiple phenomena, and new methods for revealing changes in molecular processes are needed. We have developed a practical technique that is capable of identifying multiple states of diffusion within experimental trajectories. We model single particle tracks for a membrane-associated protein interacting with a homogeneously distributed binding partner and show that, with certain simplifying assumptions, particle trajectories can be regarded as the outcome of a two-state hidden Markov model. Using simulated trajectories, we demonstrate that this model can be used to identify the key biophysical parameters for such a system, namely the diffusion coefficients of the underlying states, and the rates of transition between them. We use a stochastic optimization scheme to compute maximum likelihood estimates of these parameters. We have applied this analysis to single-particle trajectories of the integrin receptor lymphocyte function-associated antigen-1 (LFA-1) on live T cells. Our analysis reveals that the diffusion of LFA-1 is indeed approximately two-state, and is characterized by large changes in cytoskeletal interactions upon cellular activation. PMID:19893741