Programmable motion and separation of single magnetic particles on patterned magnetic surfaces

Motion of single micrometer-sized magnetic particles on patterned magnetic surfaces is controlled by a rotating magnetic field (see Figure and cover). Patterns of thin-film magnetic elements are tailored to form transport lines. Individual particles are separated by adding junctions to the transport lines. The method can improve existing applications in biotechnology and generate new ones in life sciences.

Exploring the free energy surfaces of clusters using reconnaissance metadynamics

A new approach is proposed for exploring the low-energy structures of small to medium-sized aggregates of atoms and molecules. This approach uses the recently proposed reconnaissance metadynamics method [G. A. Tribello, M. Ceriotti, and M. Parrinello. Proc. Natl. Acad. Sci. U.S.A. 107(41), 17509 (2010)] in tandem with collective variables that describe the average structure of the coordination sphere around the atoms/molecules. We demonstrate this method on both Lennard-Jones and water clusters and show how it is able to quickly find the global minimum in the potential energy surface, while exploring the finite temperature free energy surface. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3628676]

Surface energy and surface proton order of the ice Ih basal and prism surfaces

Density-functional theory (DFT) is used to examine the basal and prism surfaces of ice Ih. Similar surface energies are obtained for the two surfaces; however, in each case a strong dependence of the surface energy on surface proton order is identified. This dependence, which can be as much as 50% of the absolute surface energy, is significantly larger than the bulk dependence (< 1%) on proton order, suggesting that the thermodynamic ground state of the ice surface will remain proton ordered well above the bulk order-disorder temperature of about 72 K. On the basal surface this suggestion is supported by Monte Carlo simulations with an empirical potential and solution of a 2D Ising model with nearest neighbor interactions taken from DFT. Order parameters that define the surface energy of each surface in terms of nearest neighbor interactions between dangling OH bonds (those which point out of the surface into vacuum) have been identified and are discussed. Overall, these results suggest that proton order-disorder effects have a profound impact on the stability of ice surfaces and will most likely have an effect on ice surface reactivity as well as ice crystal growth and morphology. S Supplementary data are available from stacks.iop.org/JPhysCM/22/074209/mmedia

Monte Carlo simulation of complex cohesive fracture in random heterogeneous quasi-brittle materials

A numerical method is developed to simulate complex two-dimensional crack propagation in quasi-brittle materials considering random heterogeneous fracture properties. Potential cracks are represented by pre-inserted cohesive elements with tension and shear softening constitutive laws modelled by spatially varying Weibull random fields. Monte Carlo simulations of a concrete specimen under uni-axial tension were carried out with extensive investigation of the effects of important numerical algorithms and material properties on numerical efficiency and stability, crack propagation processes and load-carrying capacities. It was found that the homogeneous model led to incorrect crack patterns and load–displacement curves with strong mesh-dependence, whereas the heterogeneous model predicted realistic, complicated fracture processes and load-carrying capacity of little mesh-dependence. Increasing the variance of the tensile strength random fields with increased heterogeneity led to reduction in the mean peak load and increase in the standard deviation. The developed method provides a simple but effective tool for assessment of structural reliability and calculation of characteristic material strength for structural design.

Heterogeneous oxidation of pyrimidine and alkyl thioethers in ionic liquids over mesoporous Ti or Ti/Ge catalysts

Heterogeneous catalytic oxidation of a series of thioethers (2-thiomethylpyrimidine, 2-thiomethyl-4,6-dimethyl-pyrimidine, 2-thiobenzylpyrimidine, 2-thiobenzyl-4,6-dimethylpyrimidine, thioanisole, and n-heptyl methyl sulfide) was performed in ionic liquids by using MCM-41 and UVM-type mesoporous catalysts containing Ti, or Ti and Ge. A range of triflate, tetrafluoroborate, trifluoroacetate, lactate and bis(trifluoromethanesulfonyl)imide-based ionic liquids were used. The oxidations were carried out by using anhydrous hydrogen peroxide or the urea-hydrogen peroxide adduct and showed that ionic liquids are very effective solvents, achieving greater reactivity and selectivity than reactions performed in dioxane. The effects of halide and acid impurities on the reactions were also investigated. Recycling experiments on catalysts were carried out in order to evaluate Ti leaching and its effect on activity and selectivity.

Artificial surfaces of intertwined square spirals:A CPW model

Intertwining planar spirals arranged in doubly periodic arrays enables a substantially subwavelength response of the unit cell smaller than 1/40 of wavelength with large fractional bandwidths. These properties are important for application at low frequencies, conformal curved surfaces, or with compact radiators. It is shown that interleaving counter-wound spiral arms extended into adjacent unit cells dramatically increase the array equivalent capacitance while reducing the inductance. A coplanar waveguide (CPW) model has been developed to analytically estimate the equivalent capacitance and inductance of intertwined spiral array elements in terms of their geometrical parameters. The proposed CPW model is shown to provide an accurate prediction of the fundamental resonance frequency and can be instrumental in the design of the arrays for a specified frequency response. © 2012 IEEE.

ARTIFICIAL SURFACES WITH INTERWOVEN AND TESSELLATED PATTERNED CONDUCTORS: PROPERTIES AND PHENOMENOLOGY

The features of artificial surfaces composed of doubly periodic patterns of interwoven planar conductors are discussed. The free-standing intertwined quadrifilar spirals and modified Brigid's crosses are presented as illustrative examples to demonstrate the highly stable angular reflection and transmittance response with low cross-polarisation and a broad fractional bandwidth. The main mechanisms contributing to the substantially sub-wavelength response of these arrays are discussed showing that interweaving their conductor patterns provides concurrent control of both the equivalent capacitance and inductance of the unit cell. The effects of dielectric substrate and conductor thickness on the properties of intertwined spiral and modified Brigid's cross arrays are discussed to provide insight in the effect of the structure parameters on array performance.

Electrical characterisation of liquid crystals at millimetre wavelengths using frequency selective surfaces

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The accurate measurement of the permittivity, loss tangent and dielectric anisotropy DC bias dependence for two different liquid crystal (LC) materials in the frequency range 140-165 GHz is described. The electrical characteristics are obtained by curve fitting computed transmission coefficients to the experimental spectral response of a new class of electronically reconfigurable frequency selective surface. The periodic structure is designed to yield bandpass filter characteristics with and without an applied bias control voltage in order to measure the tunability of the LC material which is inserted in a 705 µm-thick cavity.