Radiatively inefficient accretion flow simulations with cooling: implications for black hole transients

We study the effects of optically thin radiative cooling on the structure of radiatively inefficient accretion flows (RIAFs). The flow structure is geometrically thick, and independent of the gas density and cooling, if the cooling time is longer than the viscous time-scale (i.e. t(cool) greater than or similar to t(visc)). For higher densities, the gas can cool before it can accrete and forms the standard geometrically thin, optically thick Shakura-Sunyaev disc. For usual cooling processes (such as bremsstrahlung), we expect an inner hot flow and an outer thin disc. For a short cooling time the accretion flow separates into two phases: a radiatively inefficient hot coronal phase and a cold thin disc. We argue that there is an upper limit on the density of the hot corona corresponding to a critical value of t(cool)/t(ff)( similar to 10-100), the ratio of the cooling time and the free-fall time. Based on our simulations, we have developed a model for transients observed in black hole X-ray binaries (XRBs). An XRB in a quiescent hot RIAF state can transition to a cold blackbody-dominated state because of an increase in the mass accretion rate. The transition from a thin disc to a RIAF happens because of mass exhaustion due to accretion; the transition happens when the cooling time becomes longer than the viscous time at inner radii. Since the viscous time-scale for a geometrically thin disc is quite long, the high-soft state is expected to be long-lived. The different time-scales in black hole transients correspond to different physical processes such as viscous evolution, cooling and free fall. Our model captures the overall features of observed state transitions in XRBs.

Confinement induced stochastic sensing of charged coronene and perylene aggregates in alpha-hemolysin nanochannels

Biological nanopores provide optimum dimensions and an optimal environment to study early aggregation kinetics of charged polyaromatic molecules in the nano-confined regime. It is expected that probing early stages of nucleation will enable us to design a strategy for supramolecular assembly and biocrystallization processes. Specifically, we have studied translocation dynamics of coronene and perylene based salts, through the alpha-hemolysin (alpha-HL) protein nanopore. The characteristic blocking events in the time-series signal are a function of concentration and bias voltage. We argue that different blocking events arise due to different aggregation processes as captured by all atomistic molecular dynamics (MD) simulations. These confinement induced aggregations of polyaromatic chromophores during the different stages of translocation are correlated with the spatial symmetry and charge distribution of the molecules.

Numerical simulations of bubble formation from submerged needles under non-uniform direct current electric field

In several chemical and space industries, small bubbles are desired for efficient interaction between the liquid and gas phases. In the present study, we show that non-uniform electric field with appropriate electrode configurations can reduce the volume of the bubbles forming at submerged needles by up to three orders of magnitude. We show that localized high electric stresses at the base of the bubbles result in slipping of the contact line on the inner surface of the needle and subsequent bubble formation occurs with contact line inside the needle. We also show that for bubble formation in the presence of highly non-uniform electric field, due to high detachment frequency, the bubbles go through multiple coalescences and thus increase the apparent volume of the detached bubbles. (C) 2013 AIP Publishing LLC.

Effect of SST Variation on ITCZ in APE Simulations

The effect of meridional variation of sea surface temperature (SST) on tropical atmospheric circulation is analyzed using Aqua-planet Experiment (APE) simulations. The meridional SST gradient around the narrow SST peak in CONTROL simulation favours a strong and single equatorial Intertropical Convergence Zone (ITCZ, defined by the maximum of zonally averaged total precipitation) in all APE models. In contrast, flat equatorial SST peak (FLAT simulation) favours split/double ITCZs flanking the SST maximum, in the majority of the APE models. Although there is reasonable agreement for SST sensitivity of ITCZ among the APE models in CONTROL, there exists disparity among them in FLAT case. Similarly, while the total and convective precipitation responses are consistent among the models, the large-scale precipitation response shows considerable inter-model variations in FLAT case. The APE intercomparison indicates that the occurrence and positioning of the ITCZ are primarily related to boundary layer moisture convergence as a response to the meridional variation of SST. Furthermore, the meridional gradient of tropospheric temperature is found to be an important factor that can influence the positioning of ITCZ. FLAT SST distribution is found to be similar to the observed distribution over the Indian region during summer season. Models that yield double ITCZs in this case simulate an easterly jet over the equatorial region (similar to 15 degrees equatorward of the ITCZ). This is analogous to the Tropical Easterly Jet (TEJ), which is a unique feature observed over the Indian region during summer monsoon season, with its core at 12 degrees N, equatorward of the seasonal convergence zone centered along 25 degrees N. In these models, positive meridional temperature gradient and the associated easterly shear in the atmosphere strengthened by moisture convergence penetrate up to the upper troposphere, with which TEJ is in thermal wind balance.

Does linear separability really matter? Complex visual search is explained by simple search

Visual search in real life involves complex displays with a target among multiple types of distracters, but in the laboratory, it is often tested using simple displays with identical distracters. Can complex search be understood in terms of simple searches? This link may not be straightforward if complex search has emergent properties. One such property is linear separability, whereby search is hard when a target cannot be separated from its distracters using a single linear boundary. However, evidence in favor of linear separability is based on testing stimulus configurations in an external parametric space that need not be related to their true perceptual representation. We therefore set out to assess whether linear separability influences complex search at all. Our null hypothesis was that complex search performance depends only on classical factors such as target-distracter similarity and distracter homogeneity, which we measured using simple searches. Across three experiments involving a variety of artificial and natural objects, differences between linearly separable and nonseparable searches were explained using target-distracter similarity and distracter heterogeneity. Further, simple searches accurately predicted complex search regardless of linear separability (r = 0.91). Our results show that complex search is explained by simple search, refuting the widely held belief that linear separability influences visual search.

Remarkable anticancer activity of ferrocenylterpyridine platinum(II) complexes in visible light with low dark toxicity

Ferrocenyl platinum(II) complexes (1-3), viz. Pt(Fc-tpy)Cl]Cl (1), Pt(Fc-tpy)(NPC)]Cl (2, HNPC = N-propargyl carbazole) and Pt(Fc-bpa)Cl]Cl (3), were prepared, characterized and their anti-proliferative properties in visible light in human keratinocyte (HaCaT) cell lines have been studied. Pt(Ph-tpy)Cl]Cl (4) was prepared and used as a control. Complexes 1 and 3, structurally characterized by X-ray crystallography, show distorted square-planar geometry for the platinum(II) centre. Complexes 1 and 2 having the Fc-tpy ligand showed an intense absorption band at similar to 590 nm. The ferrocenyl complexes are redox active showing the Fc(+)-Fc couple near 0.6 V vs. SCE in DMF-0.1 M tetrabutylammonium perchlorate (TBAP). Complexes 1-3 showed external binding to calf thymus DNA. Both 1 and 2 showed remarkable photocytotoxicity in HaCaT cell lines giving respective IC50 values of 9.8 and 12.0 mu M in visible light of 400-700 nm with low dark toxicity (IC50 > 60 mu M). Fluorescent imaging studies showed the spread of the complexes throughout the cell localising both in cytoplasm and the nucleus. The ferrocenyl complexes triggered apoptosis on light exposure as evidenced from the Annexin V-FITC/PI and DNA ladder formation assays. Spectral studies revealed the formation of ferrocenium ions upon photo-irradiation generating cytotoxic hydroxyl radicals via a Fenton type mechanism. The results are rationalized from a TDDFT study that shows involvement of ferrocene and the platinum coordinated terpyridine moiety as respective HOMO and LUMO.

Molecular dynamic simulations of elastomer structure and its influence on anisotropic stress under time-varying strain

We investigate the evolution of polymer structure and its influence on uniaxial anisotropic stress under time-varying uniaxial strain, and the role of external control variables such as temperature, strain rate, chain length, and density, using molecular dynamics simulation. At temperatures higher than glass transition, stress anisotropy in the system is reduced even though the bond stretch is greater at higher temperatures. There is a significant increase in the stress level with increasing density. At higher densities, the uncoiling of the chains is suppressed and the major contribution to the deformation is by internal deformation of the chains. At faster rates of loading stress anisotropy increases. The deformation mechanism is mostly due to bond stretch and bond bending rather than overall shape and size. Stress levels increase with longer chain length. There is a critical value of the functionality of the cross-linkers beyond which the uniaxial stress developed increases caused primarily by bond stretching due to increased constraint on the motion of the monomers. Stacking of the chains in the system also plays a dominant role in the behaviour in terms of excluded volume interactions. Low density, high temperature, low values of functionality of cross-linkers, and short chain length facilitate chain uncoiling and chain slipping in cross-linked polymers.

Calculation of Chemical Potentials and Occupancies in Clathrate Hydrates through Monte Carlo Molecular Simulations

The flexibility of the water lattice in clathrate hydrates and guest-guest interactions has been shown in previous studies to significantly affect the values of the thermodynamic properties, such as chemical potentials and free energies. Here we describe methods for computing occupancies, chemical potentials, and free energies that account for the flexibility of water lattice and guest-guest interactions in the hydrate phase. The methods are validated for a wide variety of guest molecules, such as methane, ethane, carbon dioxide, and tetrahydrodfuran by comparing the predicted occupancy values of guest molecules with those obtained from isothermal isobaric semigrand Monte Carlo simulations. The proposed methods extend the van der Waals and Platteuw theory for clathrate hydrates, and the Langmuir constant is calculated based on the structure of the empty hydrate lattice. These methods in combination with development of advanced molecular models for water and guest molecules should lead to a more thermodynamically consistent theory for clathrate hydrates.

Simulations and experiments in punching spring-steel devices with sub-millimeter features

This work demonstrates the feasibility of mesoscale (100 μm to mm) punching of multiple holes of intricate shapes in metals. Analytical modeling, finite element (FE)simulation, and experimentations are used in this work. Two dimensional FE simulations in ABAQUS were done with an assumed material modeling and plane-strain condition. A known analytical model was used and compared with the ABAQUS simulation results to understand the effects of clearance between the punch and the die. FE simulation in ABAQUS was done for different clearances and corner radii at punch, die, and holder. A set of punches and dies were used to punch out a miniature spring-steel gripper. Comparison of compliant grippers manufactured by wire-cut electro discharge machining(EDM) and punching shows that realizing sharp interior and re-entrant corners by punching is not easy to achieve. Punching of circular holes with 5 mm and 2.5 mm diameter is achieved. The possibility of realizing meso-scale parts with complicated shapes through punching is demonstrated in this work; and some strategies are suggested for improvement.

Revised density of magnetized nuclear matter at the neutron drip line

We study the onset of the neutron drip in high-density matter in the presence of a magnetic field. It has been found that, for systems having only protons and electrons, in the presence of a magnetic field greater than or similar to 10(15) G, neutronization occurs at a density that is at least an order of magnitude higher compared to that in a nonmagnetic system. In a system with heavier ions, the effect of the magnetic field, however, starts arising at a much higher field, greater than or similar to 10(17) G. These results may have important implications for high-magnetic-field neutron stars and white dwarfs and, in general, in nuclear astrophysics when the system is embedded within a strong magnetic field.

Quantitative Strain and Compositional Studies of InxGa1-xAs Epilayer in a GaAs-based pHEMT Device Structure by TEM Techniques

In GaAs-based pseudomorphic high-electron mobility transistor device structures, strain and composition of the InxGa1 (-) As-x channel layer are very important as they influence the electronic properties of these devices. In this context, transmission electron microscopy techniques such as (002) dark-field imaging, high-resolution transmission electron microscopy (HRTEM) imaging, scanning transmission electron microscopy-high angle annular dark field (STEM-HAADF) imaging and selected area diffraction, are useful. A quantitative comparative study using these techniques is relevant for assessing the merits and limitations of the respective techniques. In this article, we have investigated strain and composition of the InxGa1 (-) As-x layer with the mentioned techniques and compared the results. The HRTEM images were investigated with strain state analysis. The indium content in this layer was quantified by HAADF imaging and correlated with STEM simulations. The studies showed that the InxGa1 (-) As-x channel layer was pseudomorphically grown leading to tetragonal strain along the 001] growth direction and that the average indium content (x) in the epilayer is similar to 0.12. We found consistency in the results obtained using various methods of analysis.

Calculation of three-phase methane-ethane binary clathrate hydrate phase equilibrium from Monte Carlo molecular simulations

Methane and ethane are the simplest hydrocarbon molecules that can form clathrate hydrates. Previous studies have reported methods for calculating the three-phase equilibrium using Monte Carlo simulation methods in systems with a single component in the gas phase. Here we extend those methods to a binary gas mixture of methane and ethane. Methane-ethane system is an interesting one in that the pure components form sII clathrate hydrate whereas a binary mixture of the two can form the sII clathrate. The phase equilibria computed from Monte Carlo simulations show a good agreement with experimental data and are also able to predict the sI-sII structural transition in the clathrate hydrate. This is attributed to the quality of the TIP4P/Ice and TRaPPE models used in the simulations. (C) 2014 Elsevier B.V. All rights reserved.

Implications of multiple scattering on the assessment of black carbon aerosol radiative forcing

The effects of radiative coupling between scattering and absorbing aerosols, in an external mixture, on the aerosol radiative forcing (ARF) due to black carbon (BC), its sensitivity to the composite aerosol loading and composition, and surface reflectance are investigated using radiative transfer model simulations. The ARF due to BC is found to depend significantly on the optical properties of the `neighboring' (non-BC) aerosol species. The scattering due to these species significantly increases the top of the atmospheric warming due to black carbon aerosols, and significant changes in the radiative forcing efficiency of BC. This is especially significant over dark surfaces (such as oceans), despite the ARF due to BC being higher over snow and land-surfaces. The spatial heterogeneity of this effect (coupling or multiple scattering by neighboring aerosol species) imposes large uncertainty in the estimation ARF due to BC aerosols, especially over the oceans. (C) 2014 Elsevier Ltd. All rights reserved.

A new microscopic insight into membrane penetration and reorganization by PETIM dendrimers

Dendrimers are highly branched polymeric nanoparticles whose structure and topology, largely, have determined their efficacy in a wide range of studies performed so far. An area of immense interest is their potential as drug and gene delivery vectors. Realizing this potential, depending on the nature of cell surface-dendrimer interactions, here we report controlled model membrane penetration and reorganization, using a model supported lipid bilayer and poly(ether imine) (PETIM) dendrimers of two generations. By systematically varying the areal density of the lipid bilayers, we provide a microscopic insight, through a combination of high resolution scattering, atomic force microscopy and atomistic molecular dynamics simulations, into the mechanism of PETIM dendrimer membrane penetration, pore formation and membrane re-organization induced by such interactions. Our work represents the first systematic observation of a regular barrel-like membrane spanning pore formation by dendrimers, tunable through lipid bilayer packing, without membrane disruption.