4-Bromo­seleno­anisole

The title compound, 1-bromo-4-methyl­seleno­benzene, C7H7BrSe, was prepared by methyl­ation of 4-bromo­seleno­phenolate with methyl iodide, and crystals suitable for structure determination were obtained by sublimation. The mol­ecule is essentially planar; the Se—Me bond is rotated by only 2.59 (19)° out of the least-squares plane of the benzene ring. The most pronounced intermolecular interactions are two hydrogen bonds of the type C—H⋯π, which determine a herring-bone pattern in the crystal packing

Detailed analysis of the lattice Boltzmann method on unstructured grids

The lattice Boltzmann method has become a standard for efficiently solving problems in fluid dynamics. While unstructured grids allow for a more efficient geometrical representation of complex boundaries, the lattice Boltzmann methods is often implemented using regular grids. Here we analyze two implementations of the lattice Boltzmann method on unstructured grids, the standard forward Euler method and the operator splitting method. We derive the evolution of the macroscopic variables by means of the Chapman-Enskog expansion, and we prove that it yields the Navier-Stokes equation and is first order accurate in terms of the temporal discretization and second order in terms of the spatial discretization. Relations between the kinetic viscosity and the integration time step are derived for both the Euler method and the operator splitting method. Finally we suggest an improved version of the bounce-back boundary condition. We test our implementations in both standard benchmark geometries and in the pore network of a real sample of a porous rock.Comment: 42 page

Reconstruction of Single-Grain Orientation Distribution Functions for Crystalline Materials

A fundamental imaging problem in microstructural analysis of metals is the reconstruction of local crystallographic orientations from X-ray diffraction measurements. This work deals with the computation of the 3D orientation distribution function for individual grains of the material in consideration. We present an iterative large-scale algorithm that uses preconditioned regularizing CGLS iterations with a stopping criterion based on the information available in the residual vectors

Newcastle Business School Principles of Responsible Management Education Project (NBS PRIME)

The world is changing rapidly and new demands face business leaders to deal with the planet and environment more sustainably, to deal with the numerous societies their organisations operate in more equitably and with greater cultural understanding, and to be more open, transparent and responsible with respect to their stakeholders. Recent events such as the credit and banking crisis alongside general global corporate social responsibility and sustainability concerns, have led to questions as to whether current management education is adequate to equip and develop future leaders with the requisite skills to meet these new demands (Colby, Ehrlich, Sullivan, Dolle, & Shulman, 2011; Datar, Garvin, & Cullen, 2010; Weybrecht, 2010). For these reasons it is essential that universities and business schools seek to embrace principles of sustainability and responsible management into their teaching, research and enterprise activities. Newcastle Business school is ideally placed to make a significant contribution to social, environmental and economic well being through its global reputation for delivering some of the best business management education in the UK

1,4-Bis(4-chlorophenylseleno)-2,5-dimethoxybenzene

The title compound, C20H16Cl2O2Se2, utilizes the symmetry of the crystallographic inversion center. Molecular chains are formed through symmetric C—H...Cl interactions around inversion centers, mimicking the commonly observed symmetric hydrogen-bonded dimer pattern often found in carboxylic acids

Monitoring grain boundary migration during recrystallisation using topotomography

International audienceThe growth of a single grain during recrystallisation into a mildly deformed {001}100 oriented single crystal has been monitored by synchrotron radiation using the topotomo technique. The formation and migration of individual facets is analysed using a new method which measures distances between grain boundary segments at different time steps along parallel lines normal to the facet plane. One facet is shown to move with a constant rate, while it remains planar and keeps the same boundary plane orientation. The formation of another facet, which is analysed in detail, reveals that first a planar boundary with a different orientation forms before it changes its boundary plane orientation into that of the final facet. It is argued that the local microstructural configuration in front of moving grain boundaries has a considerable influence on the kinetics of individual boundary segments and facets