Electromagnetic wave diffraction from an infinite array of complex-shaped microstrip reflectors

A numerical-analytical method is developed for solving surface integral equations (IEs) describing electromagnetic wave diffraction from arrays of complex-shaped planar reflectors. Solutions to these equations are regularized via analytical transformation of the separated singular part of the matrix kernel. Basis functions satisfying the metal-edge condition are determined on the entire surface of the complex region. The amplitude and phase responses of arrays consisting of polygonal reflectors are numerically investigated.

Numerical analysis of complex failure mechanisms in composite panels

A three-dimensional continuum damage mechanics-based material model has been implemented in an implicit Finite Element code to simulate the progressive degradation of advanced composite materials. The damage model uses seven damage variables assigned to tensile, compressive and non-linear shear damage at a laminae level. The objectivity of the numerical discretization is assured using a smeared formulation. The material model was benchmarked against experimental uniaxial coupon tests and it is shown to reproduce key aspects observable during failure, such as the inclined fracture plane in matrix compression and the shear band in a ±45° tension specimen.

Simple models of complex aggregation: Vesicle formation by soft repulsive spheres with dipolelike interactions

Structural and thermodynamic properties of spherical particles carrying classical spins are investigated by Monte Carlo simulations. The potential energy is the sum of short range, purely repulsive pair contributions, and spin-spin interactions. These last are of the dipole-dipole form, with however, a crucial change of sign. At low density and high temperature the system is a homogeneous fluid of weakly interacting particles and short range spin correlations. With decreasing temperature particles condense into an equilibrium population of free floating vesicles. The comparison with the electrostatic case, giving rise to predominantly one-dimensional aggregates under similar conditions, is discussed. In both cases condensation is a continuous transformation, provided the isotropic part of the interatomic potential is purely repulsive. At low temperature the model allows us to investigate thermal and mechanical properties of membranes. At intermediate temperatures it provides a simple model to investigate equilibrium polymerization in a system giving rise to predominantly two-dimensional aggregates.

Development of complex classical force fields through force matching to ab initio data: Application to a room-temperature ionic liquid

Recent experimental neutron diffraction data and ab initio molecular dynamics simulation of the ionic liquid dimethylimidazolium chloride ([dmim]Cl) have provided a structural description of the system at the molecular level. However, partial radial distribution functions calculated from the latter, when compared to previous classical simulation results, highlight some limitations in the structural description offered by force fieldbased simulations. With the availability of ab initio data it is possible to improve the classical description of [dmim]Cl by using the force matching approach, and the strategy for fitting complex force fields in their original functional form is discussed. A self-consistent optimization method for the generation of classical potentials of general functional form is presented and applied, and a force field that better reproduces the observed first principles forces is obtained. When used in simulation, it predicts structural data which reproduces more faithfully that observed in the ab initio studies. Some possible refinements to the technique, its application, and the general suitability of common potential energy functions used within many ionic liquid force fields are discussed.

Hierarchical synthesis of complex DSP functions on FPGAs

SoC systems are now being increasingly constructed using a hierarchy of subsystems or silicon Intellectual Property (IP) cores. The key challenge is to use these cores in a highly efficient manner which can be difficult as the internal core structure may not be known. A design methodology based on synthesizing hierarchical circuit descriptions is presented. The paper employs the MARS synthesis scheduling algorithm within the existing IRIS synthesis flow and details how it can be enhanced to allow for design exploration of IP cores. It is shown that by accessing parameterised expressions for the datapath latencies in the cores, highly efficient FPGA solutions can be achieved. Hardware sharing at both the hierarchical and flattened levels is explored for a normalized lattice filter and results are presented.

The redox-Bohr group associated with iron-sulfur cluster N2 of complex I

Proton pumping respiratory complex I (NADH: ubiquinone oxidoreductase) is a major component of the oxidative phosphorylation system in mitochondria and many bacteria. In mammalian cells it provides 40% of the proton motive force needed to make ATP. Defects in this giant and most complicated membrane-bound enzyme cause numerous human disorders. Yet the mechanism of complex I is still elusive. A group exhibiting redox-linked protonation that is associated with iron-sulfur cluster N2 of complex I has been proposed to act as a central component of the proton pumping machinery. Here we show that a histidine in the 49-kDa subunit that resides near iron-sulfur cluster N2 confers this redox-Bohr effect. Mutating this residue to methionine in complex I from Yarrowia lipolytica resulted in a marked shift of the redox midpoint potential of iron-sulfur cluster N2 to the negative and abolished the redox-Bohr effect. However, the mutation did not significantly affect the catalytic activity of complex I and protons were pumped with an unchanged stoichiometry of 4 H+/2e(-). This finding has significant implications on the discussion about possible proton pumping mechanism for complex I.