Charge regulation and ionic screening of patchy surfaces

The properties of surfaces with charge-regulated patches are studied using non-linear Poisson-Boltzmann theory. Using a mode expansion to solve the non-linear problem efficiently, we reveal the charging behaviour of Debye-length sized patches. We find that patches charge up to higher charge densities if their size is relatively small and if the patches are well separated. The numerical results are used to construct a basic analytical model which predicts the average surface charge density on surfaces with patchy chargeable groups.Comment: 9 figure

Attracted Diffusion-Limited Aggregation

In this paper, we present results of extensive Monte Carlo simulations of diffusion-limited aggregation (DLA) with a seed placed on an attractive plane as a simple model in connection with the electrical double layers. We compute the fractal dimension of the aggregated patterns as a function of the attraction strength \alpha. For the patterns grown in both two and three dimensions, the fractal dimension shows a significant dependence on the attraction strength for small values of \alpha, and approaches to that of the ordinary two-dimensional (2D) DLA in the limit of large \alpha. For non-attracting case with \alpha=1, our results in three dimensions reproduce the patterns of 3D ordinary DLA, while in two dimensions our model leads to formation of a compact cluster with dimension two. For intermediate \alpha, the 3D clusters have quasi-2D structure with a fractal dimension very close to that of the ordinary 2D-DLA. This allows one to control morphology of a growing cluster by tuning a single external parameter \alpha.Comment: 6 pages, 6 figures, to appear in Phys. Rev. E (2012

Liquid friction on charged surfaces: from hydrodynamic slippage to electrokinetics

Hydrodynamic behavior at the vicinity of a confining wall is closely related to the friction properties of the liquid/solid interface. Here we consider, using Molecular Dynamics simulations, the electric contribution to friction for charged surfaces, and the induced modification of the hydrodynamic boundary condition at the confining boundary. The consequences of liquid slippage for electrokinetic phenomena, through the coupling between hydrodynamics and electrostatics within the electric double layer, are explored. Strong amplification of electro-osmotic effects is revealed, and the non-trivial effect of surface charge is discussed. This work allows to reconsider existing experimental data, concerning Zeta potentials of hydrophobic surfaces and suggest the possibility to generate ``giant'' electro-osmotic and electrophoretic effects, with direct applications in microfluidics

Measurement of retinal vessel widths from fundus images based on 2-D modeling

Changes in retinal vessel diameter are an important sign of diseases such as hypertension, arteriosclerosis and diabetes mellitus. Obtaining precise measurements of vascular widths is a critical and demanding process in automated retinal image analysis as the typical vessel is only a few pixels wide. This paper presents an algorithm to measure the vessel diameter to subpixel accuracy. The diameter measurement is based on a two-dimensional difference of Gaussian model, which is optimized to fit a two-dimensional intensity vessel segment. The performance of the method is evaluated against Brinchmann-Hansen's half height, Gregson's rectangular profile and Zhou's Gaussian model. Results from 100 sample profiles show that the presented algorithm is over 30% more precise than the compared techniques and is accurate to a third of a pixel

First Results from a 1.3 cm EVLA Survey of Massive Protostellar Objects: G35.03+0.35

We have performed a 1.3 centimeter survey of 24 massive young stellar objects (MYSOs) using the Expanded Very Large Array (EVLA). The sources in the sample exhibit a broad range of massive star formation signposts including Infrared Dark Clouds (IRDCs), UCHII regions, and extended 4.5 micron emission in the form of Extended Green Objects (EGOs). In this work, we present results for G35.03+0.35 which exhibits all of these phenomena. We simultaneously image the 1.3 cm ammonia (1,1) through (6,6) inversion lines, four methanol transitions, two H recombination lines, plus continuum at 0.05 pc resolution. We find three areas of thermal ammonia emission, two within the EGO (designated the NE and SW cores) and one toward an adjacent IRDC. The NE core contains an UCHII region (CM1) and a candidate HCHII region (CM2). A region of non-thermal, likely masing ammonia (3,3) and (6,6) emission is coincident with an arc of 44 GHz methanol masers. We also detect two new 25 GHz Class I methanol masers. A complementary Submillimeter Array 1.3 mm continuum image shows that the distribution of dust emission is similar to the lower-lying ammonia lines, all peaking to the NW of CM2, indicating the likely presence of an additional MYSO in this protocluster. By modeling the ammonia and 1.3 mm continuum data, we obtain gas temperatures of 20-220 K and masses of 20-130 solar. The diversity of continuum emission properties and gas temperatures suggest that objects in a range of evolutionary states exist concurrently in this protocluster.Comment: To appear in Astrophysical Journal Letters Special Issue on the EVLA. 16 pages, 3 figures. Includes the complete version of Figure 3, which was unable to fit into the journal article due to the number of panel

The Protocluster G18.67+0.03: A Test Case for Class I Methanol Masers as Evolutionary Indicators for Massive Star Formation

We present high angular resolution Submillimeter Array (SMA) and Karl G. Jansky Very Large Array (VLA) observations of the massive protocluster G18.67+0.03. Previously targeted in maser surveys of GLIMPSE Extended Green Objects (EGOs), this cluster contains three Class I methanol maser sources, providing a unique opportunity to test the proposed role of Class I masers as evolutionary indicators for massive star formation. The millimeter observations reveal bipolar molecular outflows, traced by 13CO(2-1) emission, associated with all three Class I maser sources. Two of these sources (including the EGO) are also associated with 6.7 GHz Class II methanol masers; the Class II masers are coincident with millimeter continuum cores that exhibit hot core line emission and drive active outflows, as indicated by the detection of SiO(5-4). In these cases, the Class I masers are coincident with outflow lobes, and appear as clear cases of excitation by active outflows. In contrast, the third Class I source is associated with an ultracompact HII region, and not with Class II masers. The lack of SiO emission suggests the 13CO outflow is a relic, consistent with its longer dynamical timescale. Our data show that massive young stellar objects associated only with Class I masers are not necessarily young, and provide the first unambiguous evidence that Class I masers may be excited by both young (hot core) and older (UC HII) MYSOs within the same protocluster.Comment: Astrophysical Journal Letters, accepted. emulateapj, 7 pages including 4 figures and 1 table. Figures compressed. v2: coauthor affiliation updated, emulateapj versio

Coarse-grained Interaction Potentials for Anisotropic Molecules

We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed coarse-grained models, the new potential exhibits a superior performance in close contact and large distant interactions. The repercussions of thermal vibrations and elasticity has been studied through a statistical method. The study justifies that the potential of mean force is representable with the same functional form, extending the application of this coarse-grained description to a broader range of molecules. Moreover, the advantage of employing coarse-grained models over truncated atomistic summations with large distance cutoffs has been briefly studied.Comment: 8 pages, 4 tables and 6 figures. To appear in J. Chem. Phy

Synoptic/planetary-scale interactions and blocking over the North Atlantic Ocean

The central theme of this project has been the diagnosis of blocking anticyclogenesis and the corresponding interactions with synoptic-scale circulations. To that end an extensive investigation of the dynamics and energetics of a major blocking anticyclone and two upstream cyclones, all of which occurred over the North Atlantic Ocean and the United States in January 1979, was undertaken. Data for the study were provided by Goddard Laboratory for Atmospheres (GLA) 4 LAT by 5 LON FGGE analyses. The methodology has primarily focused on the diagnosis of circulation forcing mechanisms using the modified forms (referred to as the extended forms) of the height tendency and Zwack-Okossi equations developed by our research group. Calculations use routine second-order finite differencing with boundary layer fraction and sensible heating and latent heat release represented as parameterized quantities. Of particular interest are the latent heat release estimates, which combine convectional parameterized values with estimates derived from satellite IR data. The latter were obtained using an algorithm derived by Dr. Franklin R. Robertson of NASA's Marshall Space Flight Center. Results are contained in project reports, theses and publications identified in previous review summaries and reports, and publications listed at the end of this summary. Significant accomplishments in the past year are presented

Electrophoretic Properties of Highly Charged Colloids: A Hybrid MD/LB Simulation Study

Using computer simulations, the electrophoretic motion of a positively charged colloid (macroion) in an electrolyte solution is studied in the framework of the primitive model. Hydrodynamic interactions are fully taken into account by applying a hybrid simulation scheme, where the charged ions (i.e. macroion and electrolyte), propagated via molecular dynamics (MD), are coupled to a Lattice Boltzmann (LB) fluid. In a recent experiment it was shown that, for multivalent salt ions, the mobility $\mu$ initially increases with charge density $\sigma$, reaches a maximum and then decreases with further increase of $\sigma$. The aim of the present work is to elucidate the behaviour of $\mu$ at high values of $\sigma$. Even for the case of monovalent microions, we find a decrease of $\mu$ with $\sigma$. A dynamic Stern layer is defined that includes all the counterions that move with the macroion while subject to an external electrical field. The number of counterions in the Stern layer, $q_0$, is a crucial parameter for the behavior of $\mu$ at high values of $\sigma$. In this case, the mobility $\mu$ depends primarily on the ratio $q_0/Q$ (with $Q$ the valency of the macroion). The previous contention that the increase in the distortion of the electric double layer (EDL) with increasing $\sigma$ leads to the lowering of $\mu$ does not hold for high $\sigma$. In fact, we show that the deformation of the EDL decreases with increase of $\sigma$. The role of hydrodynamic interactions is inferred from direct comparisons to Langevin simulations where the coupling to the LB fluid is switched off. Moreover, systems with divalent counterions are considered. In this case, at high values of $\sigma$ the phenomenon of charge inversion is found.Comment: accepted in J. Chem Phys., 10 pages, 9 figure