Simulation of inhomogeneous distributions of ultracold atoms in an optical lattice via a massively parallel implementation of nonequilibrium strong-coupling perturbation theory

We present a nonequilibrium strong-coupling approach to inhomogeneous systems of ultracold atoms in optical lattices. We demonstrate its application to the Mott-insulating phase of a two-dimensional Fermi-Hubbard model in the presence of a trap potential. Since the theory is formulated self-consistently, the numerical implementation relies on a massively parallel evaluation of the self-energy and the Green's function at each lattice site, employing thousands of CPUs. While the computation of the self-energy is straightforward to parallelize, the evaluation of the Green's function requires the inversion of a large sparse 10(d) x 10(d) matrix, with d > 6. As a crucial ingredient, our solution heavily relies on the smallness of the hopping as compared to the interaction strength and yields a widely scalable realization of a rapidly converging iterative algorithm which evaluates all elements of the Green's function. Results are validated by comparing with the homogeneous case via the local-density approximation. These calculations also show that the local-density approximation is valid in nonequilibrium setups without mass transport.

Beyond the ``Coffee Ring'': Re-entrant Ordering in an Evaporation-Driven Self-Assembly in a Colloidal Suspension on a Substrate

We study the phenomenon of evaporation-driven self-assembly of a colloid suspension of silica microspheres in the interior region and away from the rim of the droplet on a glass plate. In view of the importance of achieving a large-area, monolayer assembly, we first realize a suitable choice of experimental conditions, minimizing the influence of many other competing phenomena that usually complicate the understanding of fundamental concepts of such self-assembly processes in the interior region of a drying droplet. Under these simplifying conditions to bring out essential aspects, our experiments unveil an interesting competition between ordering and compaction in such drying systems in analogy to an impending glass transition. We establish a re-entrant behavior in the order disorder phase diagram as a function of the particle density, such that there is an optimal range of the particle density to realize the long-range ordering. The results are explained with the help of simulations and phenomenological theory.

Self Catalytic Growth of Indium Oxide (In2O3) Nanowires by Resistive Thermal Evaporation

Self catalytic growth of Indium Oxide (In2O3) nanowires (NWs) have been grown by resistive thermal evaporation of Indium (In) in the presence of oxygen without use of any additional metal catalyst. Nanowires growth took place at low substrate temperature of 370-420 degrees C at an applied current of 180-200 A to the evaporation boat. Morphology, microstructures, and compositional studies of the grown nanowires were performed by employing field emission scanning electron microscopy (FESEM), X-Ray diffraction (XRD), transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS) and X-ray photoelectron spectroscopy (XPS) respectively. Nanowires were uniformly grown over the entire Si substrate and each of the nanowire is capped with a catalyst particle at their end. X-ray diffraction study reveals the crystalline nature of the grown nanowires. Transmission electron microscopy study on the nanowires further confirmed the single crystalline nature of the nanowires. Energy dispersive X-ray analysis on the nanowires and capped nanoparticle confirmed that Indium act as catalyst for In2O3 nanowires growth. A self catalytic Vapor-Liquid-Solid (VLS) growth mechanism was responsible for the growth of In2O3 nanowires. Effect of oxygen partial pressure variation and variation of applied currents to the evaporation boat on the nanowires growth was systematically studied. These studies concluded that at oxygen partial pressure in the range of 4 x 10(-4), 6 x 10(-4) mbar at applied currents to the evaporation boat of 180-200 A were the best conditions for good nanowires growth. Finally, we observed another mode of VLS growth along with the standard VLS growth mode for In2O3 nanowires similar to the growth mechanism reported for GaAs nanowires.

Low temperature and self catalytic growth of ultrafine ITO nanowires by electron beam evaporation method and their optical and electrical properties

We report the self catalytic growth of Sn-doped indium oxide (ITO) nanowires (NWs) over a large area glass and silicon substrates by electron beam evaporation method at low substrate temperatures of 250-400 degrees C. The ITO NWs growth was carried out without using an additional reactive oxygen gas and a metal catalyst particle. Ultrafine diameter (similar to 10-15 nm) and micron long ITO NWs growth was observed in a temperature window of 300-400 degrees C. Transmission electron microscope studies confirmed single crystalline nature of the NWs and energy dispersive spectroscopy studies on the NWs confirmed that the NWs growth proceeds via self catalytic vapor-liquid-solid (VLS) growth mechanism. ITO nanowire films grown on glass substrates at a substrate temperature of 300-400 degrees C have shown similar to 2-6% reflection and similar to 70-85% transmission in the visible region. Effect of deposition parameters was systematically investigated. The large area growth of ITO nanowire films would find potential applications in the optoelectronic devices. (C) 2014 Elsevier Ltd. All rights reserved.

Novel spherical hierarchical structures of GdOOH and Eu:GdOOH: rapid microwave-assisted synthesis through self-assembly, thermal conversion to oxides, and optical studies

We report a novel, rapid, and low-temperature method for the synthesis of undoped and Eu-doped GdOOH spherical hierarchical structures, without using any structure-directing agents, through the microwave irradiation route. The as-prepared product consists of nearly monodisperse microspheres measuring about 1.3 mu m in diameter. Electron microscopy reveals that each microsphere is an assembly of two-dimensional nanoflakes (about 30 nm thin) which, in turn, result from the assembly of crystallites measuring about 9 nm in diameter. Thus, a three-level hierarchy can be seen in the formation of the GdOOH microspheres: from nanoparticles to 2D nanoflakes to 3D spherical structures. When doped with Eu3+ ions, the GdOOH microspheres show a strong red emission, making them promising candidates as phosphors. Finally, thermal conversion at modest temperatures leads to the formation of corresponding oxide structures with enhanced luminescence, while retaining the spherical morphology of their oxyhydroxide precursor.

Conformal Cytocompatible Ferrite Coatings Facilitate the Realization of a Nanovoyager in Human Blood

Controlled motion of artificial nanomotors in biological environments, such as blood, can lead to fascinating biomedical applications, ranging from targeted drug delivery to microsurgery and many more. In spite of the various strategies used in fabricating and actuating nanomotors, practical issues related to fuel requirement, corrosion, and liquid viscosity have limited the motion of nanomotors to model systems such as water, serum, or biofluids diluted with toxic chemical fuels, such as hydrogen peroxide. As we demonstrate here, integrating conformal ferrite coatings with magnetic nanohelices offer a promising combination of functionalities for having controlled motion in practical biological fluids, such as chemical stability, cytocompatibility, and the generated thrust. These coatings were found to be stable in various biofluids, including human blood, even after overnight incubation, and did not have significant influence on the propulsion efficiency of the magnetically driven nanohelices, thereby facilitating the first successful ``voyage'' of artificial nanomotors in human blood. The motion of the ``nanovoyager'' was found to show interesting stick-slip dynamics, an effect originating in the colloidal jamming of blood cells in the plasma. The system of magnetic ``nanovoyagers'' was found to be cytocompatible with C2C12 mouse myoblast cells, as confirmed using MTT assay and fluorescence microscopy observations of cell morphology. Taken together, the results presented in this work establish the suitability of the ``nanovoyager'' with conformal ferrite coatings toward biomedical applications.

Self-assembled dipeptide nanotubes constituted by flexible beta-phenylalanine and conformationally constrained alpha,beta-dehydrophenylalanine residues as drug delivery system

Peptide based self assembled nanostructures have attracted growing interest in recent years due to their numerous potential applications particularly in biomedical sciences. Di-peptide Phe-Phe was shown previously to self-assemble into nanotube like structures. In this work, we studied the affect of peptide backbone length and conformational flexibility on the self assembly process by using two dipeptides based on the Phe-Phe backbone (beta Phe-Phe and beta Phe-Delta Phe): one containing a flexible beta Phe amino acid, and the other containing both a flexible bPhe as well as a backbone constraining Alpha Phe (alpha,beta-dehydrophenylalanine) amino acid. Electron microscopy and X-ray diffraction experiments revealed that these new di-peptides can self-assemble into nanotubes having different properties than the native Phe-Phe nanotubes. These nanotubes were stable over a broad range of temperatures and the introduction of non-natural amino acids provided them with stability against the action of nonspecific proteases. Moreover, these dipeptides showed no cytotoxicity towards HeLa and L929 cells, and were able to encapsulate small drug molecules. We further showed that anticancerous drug mitoxantrone was more efficient in killing HeLa and B6F10 cells when entrapped in nanotubes as compared to free mitoxantrone. Therefore, these beta-phenylalanine and alpha, beta-dehydrophenylalanine containing dipeptide nanotubes may be useful in the development of biocompatible and proteolytically stable drug delivery vehicles.

Self-organized public key management in MANETs with enhanced security and without certificate-chains

In the self-organized public key management approaches, public key verification is achieved through verification routes constituted by the transitive trust relationships among the network principals. Most of the existing approaches do not distinguish among different available verification routes. Moreover, to ensure stronger security, it is important to choose an appropriate metric to evaluate the strength of a route. Besides, all of the existing self-organized approaches use certificate-chains for achieving authentication, which are highly resource consuming. In this paper, we present a self-organized certificate-less on-demand public key management (CLPKM) protocol, which aims at providing the strongest verification routes for authentication purposes. It restricts the compromise probability for a verification route by restricting its length. Besides, we evaluate the strength of a verification route using its end-to-end trust value. The other important aspect of the protocol is that it uses a MAC function instead of RSA certificates to perform public key verifications. By doing this, the protocol saves considerable computation power, bandwidth and storage space. We have used an extended strand space model to analyze the correctness of the protocol. The analytical, simulation, and the testbed implementation results confirm the effectiveness of the proposed protocol. (c) 2014 Elsevier B.V. All rights reserved.

Dynamics of the reaction between the free end of a tethered self-avoiding polymer and a flat penetrable surface: A renormalization group study

The average time tau(r) for one end of a long, self-avoiding polymer to interact for the first time with a flat penetrable surface to which it is attached at the other end is shown here to scale essentially as the square of the chain's contour length N. This result is obtained within the framework of the Wilemski-Fixman approximation to diffusion-limited reactions, in which the reaction time is expressed as a time correlation function of a ``sink'' term. In the present work, this sink-sink correlation function is calculated using perturbation expansions in the excluded volume and the polymer-surface interactions, with renormalization group methods being used to resum the expansion into a power law form. The quadratic dependence of tau(r) on N mirrors the behavior of the average time tau(c) of a free random walk to cyclize, but contrasts with the cyclization time of a free self-avoiding walk (SAW), for which tau(r) similar to N-2.2. A simulation study by Cheng and Makarov J. Phys. Chem. B 114, 3321 (2010)] of the chain-end reaction time of an SAW on a flat impenetrable surface leads to the same N-2.2 behavior, which is surprising given the reduced conformational space a tethered polymer has to explore in order to react. (C) 2014 AIP Publishing LLC.

Reversible and irreversible pH induced conformational changes in self-assembled weak polyelectrolyte multilayers probed using etched fiber Bragg grating sensors

Polyelectrolytes are charged polymer species which electrostatically adsorb onto surfaces in a layer by layer fashion leading to the sequential assembly of multilayer structures. It is known that the morphology of weak polyelectrolyte structures is strongly influenced by environmental variables such as pH. We created a weak polyelectrolyte multilayer structure (similar to 100 nm thick) of cationic polymer poly-allylamine hydrochloride (PAH) and an anionic polymer poly-acrylic acid (PAA) on an etched clad fiber Bragg grating (EFBG) to study the pH induced conformational transitions in the polymer multilayers brought about by the variation in charge density of weak polyelectrolyte groups as a function of pH. The conformational changes of the polyelectrolyte multilayer structure lead to changes in optical density of the adsorbed film which reflects in the shift of the Bragg wavelength from the EFBG. Using the EFBG system we were able to probe reversible and irreversible pH induced transitions in the PAH/PAA weak polyelectrolyte system. (C) 2014 Elsevier B.V. All rights reserved.

Synthesis of self-light-scattering wrinkle structured ZnO photoanode by sol-gel method for dye-sensitized solar cells

A special morphological zinc oxide (ZnO) photoanode for dye-sensitized solar cell was fabricated by simple sol-gel drop casting technique. This film shows a wrinkled structure resembling the roots of banyan tree, which acts as an effective self scattering layer for harvesting more visible light and offers an easy transport path for photo-injected electrons. These ZnO electrode of low thickness (similar to 5 mu m) gained an enhanced short-circuit current density of 6.15 mA/cm(2), open-circuit voltage of 0.67 V, fill factor of 0.47 and overall conversion efficiency of 1.97 % under 1 sun illumination. This shows a high conversion efficiency and a superior performance than that of ZnO nanoparticle-based photoanode (eta similar to 1.13 %) of high thickness (similar to 8 mu m).

Self-assembly of Chloro-Bridged Arene-Ruthenium Based Rectangle: Synthesis, Structural Characterization and Sensing Study

Self-assembly of a chloro-bridged half-sandwich p-cymene ruthenium(II) complex Ru-2(mu-Cl-2)(eta(6)-p-cymene)(2)Cl-2] 1 with linear ditopic donor L; trans-1,2-bis(4-pyridyl) ethylene] in presence of 2 eq. AgNO3 in CH3CN yielded a chloro-bridged molecular rectangle 2. The rectangle 2 was isolated as nitrate salt in high yield (90 %) and characterized by infra-red, H-1 NMR spectroscopy including ESI-MS analyses. Molecular structure of 2 was determined by single crystal X-ray diffraction study The diffraction analysis shows that 2 adopts a tetranuclear rectangular geometry with the dimensions of 5.51 angstrom x 13.29 angstrom and forming an infinite supramolecular chain with large internal porosity arising through multiple pi-pi and CH-pi interactions between the adjacent rectangles. Furthermore, rectangle 2 is used as selective receptor for phenolic-nitroaromatic compounds such as picric acid, dinitrophenol and nitrophenol.

Low-density three-dimensional foam using self-reinforced hybrid two-dimensional atomic layers

Low-density nanostructured foams are often limited in applications due to their low mechanical and thermal stabilities. Here we report an approach of building the structural units of three-dimensional (3D) foams using hybrid two-dimensional (2D) atomic layers made of stacked graphene oxide layers reinforced with conformal hexagonal boron nitride (h-BN) platelets. The ultra-low density (1/400 times density of graphite) 3D porous structures are scalably synthesized using solution processing method. A layered 3D foam structure forms due to presence of h-BN and significant improvements in the mechanical properties are observed for the hybrid foam structures, over a range of temperatures, compared with pristine graphene oxide or reduced graphene oxide foams. It is found that domains of h-BN layers on the graphene oxide framework help to reinforce the 2D structural units, providing the observed improvement in mechanical integrity of the 3D foam structure.

A framework for post-silicon realization of arbitrary instruction extensions on reconfigurable data-paths

In this paper we present a framework for realizing arbitrary instruction set extensions (IE) that are identified post-silicon. The proposed framework has two components viz., an IE synthesis methodology and the architecture of a reconfigurable data-path for realization of the such IEs. The IE synthesis methodology ensures maximal utilization of resources on the reconfigurable data-path. In this context we present the techniques used to realize IEs for applications that demand high throughput or those that must process data streams. The reconfigurable hardware called HyperCell comprises a reconfigurable execution fabric. The fabric is a collection of interconnected compute units. A typical use case of HyperCell is where it acts as a co-processor with a host and accelerates execution of IEs that are defined post-silicon. We demonstrate the effectiveness of our approach by evaluating the performance of some well-known integer kernels that are realized as IEs on HyperCell. Our methodology for realizing IEs through HyperCells permits overlapping of potentially all memory transactions with computations. We show significant improvement in performance for streaming applications over general purpose processor based solutions, by fully pipelining the data-path. (C) 2014 Elsevier B.V. All rights reserved.

Understanding Self-Segregation of Immiscible Peripheral Segments in Pseudodendritic Hyperbranched Polydithioacetals: Formation of Improved Janus Structures

Peripherally heterofunctionalized hyperbranched polymers (HBPs) undergo immiscibility-driven self-segregation of the outer segments to form Janus molecular entities (Macromolecules 2012, 45, 2348). In HBPs prepared via AB2 type self-condensation, single-step peripheral heterofunctionalization would lead to random distribution of the two types of terminal units, namely, homofunctionalized (homo-T) and heterofunctionalized (hetero-T) termini. Here, we examine the role of such hetero-T units on the self-segregation of heterofunctionalized pseudodendritic hyperbranched polydithioacetals. Three different heterofunctionalized HB dithioacetals bearing roughly 50 mol % each of docsyl (C-22) and MPEG-350 chains at the periphery were prepared: one of them carried a statistical distribution of homo-T and hetero-T units, and the other carried only two types of homo-T (-TR1R1 and -TR2R2) termini, whereas the third carried largely hetero-T (-TR1R2) termini. Careful examination of DSC and SAXS data reveals that the self-segregation is most effective in HBPs devoid of hetero-T units; interestingly, however, it also showed that randomly heterofunctionalized HBPs self-segregated nearly as effectively.