Modeling shear localization along granular soil–structure interfaces using elasto-plastic Cosserat continuum

The current study presents finite element simulations of shear localization along the interface between cohesionless granular soil and bounding structure under large shearing movement. Micro-polar (Cosserat) continuum approach is applied in the framework of elasto-plasticity in order to overcome the numerical problems of localization modeling seen in the conventional continuum mechanics. The effects of different micro-polar kinematic boundary conditions, along the interface, on the evolution and location of shear band are shown by the numerical results. Furthermore, shear band thickness is also investigated for its dependence on the initial void ratio, vertical pressure and mean grain size. Here, the distribution and evolution of static and kinematic quantities are the main focuses regarding infinite layer of micro-polar material during plane shearing, especially with advanced large movement of bounding structure. The influence of such movement has not been investigated yet in the literature. Based on the results obtained from this study, shear localization appears parallel to the direction of shearing. It occurs either in the middle of granular layer or near boundaries, regarding the assumed micro-polar kinematic boundary conditions at the bottom and top surfaces of granular soil layer. Narrower shear band is observed in lower rotation resistance of soil particles along the interface. It is emphasized that the displacement magnitude of bounding structure has significant effect on the distribution and evolution of state variables and polar quantities in the granular soil layer. However, continuous displacement has no meaningful effect on the thickness of shear band. Here, smooth distributions of void ratio and shear stress components are obtained within the shear band, what the other previous numerical investigations did not receive. Despite indirect linking of Lade’s model to the critical state soil mechanics, state variables tend towards asymptotical stationary condition in large shear deformation.     

Hierarchical honeycombs with tailorable properties

We investigated the mechanical behavior of two-dimensional hierarchical honeycomb structures using analytical, numerical and experimental methods. Hierarchical honeycombs were constructed by replacing every three-edge vertex of a regular hexagonal lattice with a smaller hexagon. Repeating this process builds a fractal-appearing structure. The resulting isotropic in-plane elastic properties (effective elastic modulus and Poisson’s ratio) of this structure are controlled by the dimension ratios for different hierarchical orders. Hierarchical honeycombs of first and second order can be up to 2.0 and 3.5 times stiffer than regular honeycomb at the same mass (i.e., same overall average density). The Poisson’s ratio varies from nearly 1.0 (when planar ‘bulk’ modulus is considerably greater than Young’s modulus, so the structure acts ‘incompressible’ for most loadings) to 0.28, depending on the dimension ratios. The work provides insight into the role of structural organization and hierarchy in regulating the mechanical behavior of materials, and new opportunities for developing low-weight cellular structures with tailorable properties.     

Effect of Ocean Iron Fertilization on the Phytoplankton Biological Carbon Pump

It has been proposed that photosynthetic plankton can be used as a biological carbon pump to absorb and sequester carbon dioxide in the ocean. In this paper, plankton population dynamics are simulated in a single stratified water column to predict carbon dioxide sequestering due to surface iron fertilization in deep ocean. Using a predator-prey model and realistic parameter values, iron fertilization was found to only cause temporary blooms up to 5 months in duration, and relatively small increases in adsorption of atmospheric $\mathrm{CO_{2}}$.     

Numerical Simulation of Two Phase Turbulent Flow of Nanofluids in Confined Slot Impinging Jet

In this article, a numerical investigation is performed on flow and heat transfer of confined impinging slot jet, with a mixture of water and Al₂O₃ nanoparticles as the working fluid. Two-dimensional turbulent flow is considered and a constant temperature is applied on the impingement surface. The k ? ω turbulence model is used for the turbulence computations. Two-phase mixture model is implemented to study such a flow field. The governing equations are solved using the finite volume method. In order to consider the effect of obstacle angle on temperature fields in the channel, the numerical simulations were performed for different obstacle angles of 0° ? 60°. Also different geometrical parameters, volume fractions and Reynolds numbers have been considered to study the behavior of the system in terms of stagnation point, average and local Nusselt number and stream function contours. The results showed that the intensity and size of the vortex structures depend on jet- impingement surface distance ratio (H/W) and volume fraction. The maximum Nusselt number occurs at the stagnation point with the highest values at about H/W = 1. Increasing obstacle angle, from 15° to 60°, enhances the heat transfer rate. It was also revealed that the minimum value of average Nusselt number occurs in higher H/W ratios with decreasing the channel length.     

Deoxyribonucleic Acid and Bovine Serum Albumin Interaction with the Asymmetric Schiff Base Ligand and Its Molybdenum (VI) Complex: Multi Spectroscopic and Molecular Docking Studies

The interaction of an asymmetric Schiff base ligand derived from allylamine and 2,3-dihydroxybenzaldehyde and its molybdenum (VI) complex with deoxyribonucleic acid (DNA) and bovine serum albumin (BSA) were studied using spectroscopic and molecular docking methods. The spectroscopic results revealed that the DNA and BSA affinity for binding the Mo(VI) complex is greater than its ligand. Furthermore, the molecular docking calculations showed that H-bond, hydrophobic, π-π and π-cation interactions had the dominant roles in the stability of the compound-BSA complexes. The DNA interaction results suggested that the compounds interacted with DNA by the groove binding mechanism.     

Adaptive importance sampling Monte Carlo simulation of rare transition events

We develop a general theoretical framework for the recently proposed importance sampling method for enhancing the efficiency of rare-event simulations [W. Cai, M. H. Kalos, M. de Koning, and V. V. Bulatov, Phys. Rev. E 66, 046703 (2002)], and discuss practical aspects of its application. We define the success/fail ensemble of all possible successful and failed transition paths of any duration and demonstrate that in this formulation the rare-event problem can be interpreted as a "hit-or-miss" Monte Carlo quadrature calculation of a path integral. The fact that the integrand contributes significantly only for a very tiny fraction of all possible paths then naturally leads to a "standard" importance sampling approach to Monte Carlo (MC) quadrature and the existence of an optimal importance function. In addition to showing that the approach is general and expected to be applicable beyond the realm of Markovian path simulations, for which the method was originally proposed, the formulation reveals a conceptual analogy with the variational MC (VMC) method. The search for the optimal importance function in the former is analogous to finding the ground-state wave function in the latter. In two model problems we discuss practical aspects of finding a suitable approximation for the optimal importance function. For this purpose we follow the strategy that is typically adopted in VMC calculations: the selection of a trial functional form for the optimal importance function, followed by the optimization of its adjustable parameters. The latter is accomplished by means of an adaptive optimization procedure based on a combination of steepest-descent and genetic algorithms.     

A numerical study of the spectrum and eigenfunctions on a tubular arc

The Hamiltonian for a particle constrained to move on the surface of a curved nanotube is derived using the methods of differential forms. A two-dimensional Gram–Schmidt orthonormalization procedure is employed to calculate basis functions for determining the eigenvalues and eigenstates of a tubular arc (a nanotube in the shape of a hyperbolic cosine) with several hundred scattering centers. The curvature of the tube is shown to induce bound states that are dependent on the curvature parameter and bend location of the tube.     

A highly efficient and recyclable silica-based scandium(III) interphase catalyst for cyanosilylation of carbonyl compounds

[reaction: see text] A new silica-based scandium(III) interphase catalyst 2 efficiently catalyzes the cyanosilylation of a variety of aldehydes and ketones. The catalyst shows high thermal stability (up to 300 degrees C) and also is stable in both organic and polar solvents. It also could be recovered and reused for at least 10 reaction cycles without considerable loss of reactivity.     

Patterning multiple aligned self-assembled monolayers using light

This work describes a method for patterning a gold substrate with multiple, aligned self-assembled monolayers (SAMs) using light at different wavelengths. It describes the synthesis and characterization of an alkanethiolate SAM that is photosensitive to light at both 220 and 365 nm. A photomask acts as an area-selective filter for light at 220 and 365 nm, and a single set of exposures at these two wavelengths through one photomask, without steps of alignment between the exposures, can produce three aligned SAMs on one gold substrate. We demonstrate the versatility of this method of photopatterning by modifying individual aligned SAMs chemically to produce surfaces having different properties. We characterize the modified SAMs using immunolabeling, matrix-assisted laser desorption/ionization time-of-flight mass spectroscopy, and surface plasmon resonance spectroscopy. We also describe the patterning of two aligned SAMs that resist the adsorption of proteins and a third region that does not resist the adsorption of proteins. The ability to produce multiple, aligned patterns of SAMs in a single step, without alignment of photomasks in separate steps, increases the versatility of SAMs for studying a range of physical phenomena.