Trigonal pyramidal (CuN4)-N-I cores assembled by a family of tetradentate N-donor Schiff bases. Substituent effects on the Cu(II/I) potential

Copper(l) complexes of 1:3 condensates of tris(2-aminoethyl)amine and p-X-benzaldehydes (X = K Cl, NMe2 and NO2) of the type [Cu(ligand)]ClO4 are synthesised. The X-ray crystal structures of the copper(l) complexes with X = K, Cl and NMe2 are determined. In these complexes copper(l) is found to have trigonal pyramidal N-4 coordination sphere with the apical N forming a longer bond (2.191-2.202 Angstrom) than the trigonal ones (2.003-2.026 Angstrom). The Cu(II/I) potentials in these complexes span a range of 0.71-0.90 V vs SCE increasing linearly with the resonance component of the Hammett sigma for the para substituent X. It is concluded that trigonal pyramidal geometry is destabilising for copper(II).

Integrating control systems defined on the frame bundles of the space forms

This paper considers left-invariant control systems defined on the orthonormal frame bundles of simply connected manifolds of constant sectional curvature, namely the space forms Euclidean space E-3, the sphere S-3 and Hyperboloid H-3 with the corresponding frame bundles equal to the Euclidean group of motions SE(3), the rotation group SO(4) and the Lorentz group SO(1, 3). Orthonormal frame bundles of space forms coincide with their isometry groups and therefore the focus shifts to left-invariant control systems defined on Lie groups. In this paper a method for integrating these systems is given where the controls are time-independent. In the Euclidean case the elements of the Lie algebra se(3) are often referred to as twists. For constant twist motions, the corresponding curves g(t) is an element of SE(3) are known as screw motions, given in closed form by using the well known Rodrigues' formula. However, this formula is only applicable to the Euclidean case. This paper gives a method for computing the non-Euclidean screw motions in closed form. This involves decoupling the system into two lower dimensional systems using the double cover properties of Lie groups, then the lower dimensional systems are solved explicitly in closed form.

Optimal 3D surface reconstruction from multiview photographic images

This paper describes a new method for reconstructing 3D surface using a small number, e.g. 10, of 2D photographic images. The images are taken at different viewing directions by a perspective camera with full prior knowledge of the camera configurations. The reconstructed object's surface is represented a set of triangular facets. We empirically demonstrate that if the viewing directions are uniformly distributed around the object's viewing sphere, then the reconstructed 3D points optimally cluster closely on a highly curved part of the surface and are widely, spread on smooth or fat parts. The advantage of this property is that the reconstructed points along a surface or a contour generator are not undersampled or underrepresented because surfaces or contours should be sampled or represented with more densely points where their curvatures are high. The more complex the contour's shape, the greater is the number of points required, but the greater the number of points is automatically generated by the proposed method Given that the viewing directions are uniformly distributed, the number and distribution of the reconstructed points depend on the shape or the curvature of the surface regardless of the size of the surface or the size of the object.

Singularities of optimal control problems on some 6-D lie groups

This paper considers the motion planning problem for oriented vehicles travelling at unit speed in a 3-D space. A Lie group formulation arises naturally and the vehicles are modeled as kinematic control systems with drift defined on the orthonormal frame bundles of particular Riemannian manifolds, specifically, the 3-D space forms Euclidean space E-3, the sphere S-3, and the hyperboloid H'. The corresponding frame bundles are equal to the Euclidean group of motions SE(3), the rotation group SO(4), and the Lorentz group SO (1, 3). The maximum principle of optimal control shifts the emphasis for these systems to the associated Hamiltonian formalism. For an integrable case, the extremal curves are explicitly expressed in terms of elliptic functions. In this paper, a study at the singularities of the extremal curves are given, which correspond to critical points of these elliptic functions. The extremal curves are characterized as the intersections of invariant surfaces and are illustrated graphically at the singular points. It. is then shown that the projections, of the extremals onto the base space, called elastica, at these singular points, are curves of constant curvature and torsion, which in turn implies that the oriented vehicles trace helices.

Estimation of distances in virtual environments using size constancy

It is reported in the literature that distances from the observer are underestimated more in virtual environments (VEs) than in physical world conditions. On the other hand estimation of size in VEs is quite accurate and follows a size-constancy law when rich cues are present. This study investigates how estimation of distance in a CAVETM environment is affected by poor and rich cue conditions, subject experience, and environmental learning when the position of the objects is estimated using an experimental paradigm that exploits size constancy. A group of 18 healthy participants was asked to move a virtual sphere controlled using the wand joystick to the position where they thought a previously-displayed virtual cube (stimulus) had appeared. Real-size physical models of the virtual objects were also presented to the participants as a reference of real physical distance during the trials. An accurate estimation of distance implied that the participants assessed the relative size of sphere and cube correctly. The cube appeared at depths between 0.6 m and 3 m, measured along the depth direction of the CAVE. The task was carried out in two environments: a poor cue one with limited background cues, and a rich cue one with textured background surfaces. It was found that distances were underestimated in both poor and rich cue conditions, with greater underestimation in the poor cue environment. The analysis also indicated that factors such as subject experience and environmental learning were not influential. However, least square fitting of Stevens’ power law indicated a high degree of accuracy during the estimation of object locations. This accuracy was higher than in other studies which were not based on a size-estimation paradigm. Thus as indirect result, this study appears to show that accuracy when estimating egocentric distances may be increased using an experimental method that provides information on the relative size of the objects used.

3D surface point and wireframe reconstruction from multiview photographic images

This paper describes a new method for reconstructing 3D surface points and a wireframe on the surface of a freeform object using a small number, e.g. 10, of 2D photographic images. The images are taken at different viewing directions by a perspective camera with full prior knowledge of the camera configurations. The reconstructed surface points are frontier points and the wireframe is a network of contour generators. Both of them are reconstructed by pairing apparent contours in the 2D images. Unlike previous works, we empirically demonstrate that if the viewing directions are uniformly distributed around the object's viewing sphere, then the reconstructed 3D points automatically cluster closely on a highly curved part of the surface and are widely spread on smooth or flat parts. The advantage of this property is that the reconstructed points along a surface or a contour generator are not under-sampled or under-represented because surfaces or contours should be sampled or represented with more densely points where their curvatures are high. The more complex the contour's shape, the greater is the number of points required, but the greater the number of points is automatically generated by the proposed method. Given that the viewing directions are uniformly distributed, the number and distribution of the reconstructed points depend on the shape or the curvature of the surface regardless of the size of the surface or the size of the object. The unique pattern of the reconstructed points and contours may be used in 31) object recognition and measurement without computationally intensive full surface reconstruction. The results are obtained from both computer-generated and real objects. (C) 2007 Elsevier B.V. All rights reserved.

Optimal 3D surface reconstruction from a small number of conventional 2D X-ray images

This paper describes a method for reconstructing 3D frontier points, contour generators and surfaces of anatomical objects or smooth surfaces from a small number, e. g. 10, of conventional 2D X-ray images. The X-ray images are taken at different viewing directions with full prior knowledge of the X-ray source and sensor configurations. Unlike previous works, we empirically demonstrate that if the viewing directions are uniformly distributed around the object's viewing sphere, then the reconstructed 3D points automatically cluster closely on a highly curved part of the surface and are widely spread on smooth or flat parts. The advantage of this property is that the reconstructed points along a surface or a contour generator are not under-sampled or under-represented because surfaces or contours should be sampled or represented with more densely points where their curvatures are high. The more complex the contour's shape, the greater is the number of points required, but the greater the number of points is automatically generated by the proposed method. Given that the number of viewing directions is fixed and the viewing directions are uniformly distributed, the number and distribution of the reconstructed points depend on the shape or the curvature of the surface regardless of the size of the surface or the size of the object. The technique may be used not only in medicine but also in industrial applications.

An algorithm for isentropic flow

An efficient algorithm is presented for the solution of the equations of isentropic gas dynamics with a general convex gas law. The scheme is based on solving linearized Riemann problems approximately, and in more than one dimension incorporates operator splitting. In particular, only two function evaluations in each computational cell are required. The scheme is applied to a standard test problem in gas dynamics for a polytropic gas

Efficient shock capturing for isentropic flows using arithmetic averaging

A shock capturing scheme is presented for the equations of isentropic flow based on upwind differencing applied to a locally linearized set of Riemann problems. This includes the two-dimensional shallow water equations using the familiar gas dynamics analogy. An average of the flow variables across the interface between cells is required, and this average is chosen to be the arithmetic mean for computational efficiency, leading to arithmetic averaging. This is in contrast to usual ‘square root’ averages found in this type of Riemann solver where the computational expense can be prohibitive. The scheme is applied to a two-dimensional dam-break problem and the approximate solution compares well with those given by other authors.

An efficient numerical method for compressible flows of a real gas using arithmetic averaging

An efficient numerical method is presented for the solution of the Euler equations governing the compressible flow of a real gas. The scheme is based on the approximate solution of a specially constructed set of linearised Riemann problems. An average of the flow variables across the interface between cells is required, and this is chosen to be the arithmetic mean for computational efficiency, which is in contrast to the usual square root averaging. The scheme is applied to a test problem for five different equations of state.

An efficient shock capturing scheme for the pseudo-unsteady equations representing steady inviscid flow

An efficient algorithm is presented for the solution of the steady Euler equations of gas dynamics. The scheme is based on solving linearised Riemann problems approximately and in more than one dimension incorporates operator splitting. The scheme is applied to a standard test problem of flow down a channel containing a circular arc bump for three different mesh sizes.

An efficient numerical scheme for the Euler equations

A finite difference scheme based on flux difference splitting is presented for the solution of the Euler equations for the compressible flow of an ideal gas. A linearised Riemann problem is defined, and a scheme based on numerical characteristic decomposition is presented for obtaining approximate solutions to the linearised problem. An average of the flow variables across the interface between cells is required, and this average is chosen to be the arithmetic mean for computational efficiency, leading to arithmetic averaging. This is in contrast to the usual ‘square root’ averages found in this type of Riemann solver, where the computational expense can be prohibitive. The method of upwind differencing is used for the resulting scalar problems, together with a flux limiter for obtaining a second order scheme which avoids nonphysical, spurious oscillations. The scheme is applied to a shock tube problem and a blast wave problem. Each approximate solution compares well with those given by other schemes, and for the shock tube problem is in agreement with the exact solution.

An efficient numerical scheme for the two-dimensional shallow water equations using arithmetic averaging

A finite difference scheme based on flux difference splitting is presented for the solution of the two-dimensional shallow water equations of ideal fluid flow. A linearised problem, analogous to that of Riemann for gas dynamics is defined, and a scheme, based on numerical characteristic decomposition is presented for obtaining approximate solutions to the linearised problem, and incorporates the technique of operator splitting. An average of the flow variables across the interface between cells is required, and this average is chosen to be the arithmetic mean for computational efficiency leading to arithmetic averaging. This is in contrast to usual ‘square root’ averages found in this type of Riemann solver, where the computational expense can be prohibitive. The method of upwind differencing is used for the resulting scalar problems, together with a flux limiter for obtaining a second order scheme which avoids nonphysical, spurious oscillations. An extension to the two-dimensional equations with source terms is included. The scheme is applied to the one-dimensional problems of a breaking dam and reflection of a bore, and in each case the approximate solution is compared to the exact solution of ideal fluid flow. The scheme is also applied to a problem of stationary bore generation in a channel of variable cross-section. Finally, the scheme is applied to two other dam-break problems, this time in two dimensions with one having cylindrical symmetry. Each approximate solution compares well with those given by other authors.

An algorithm for the shallow water equations with body fitted meshes

An efficient algorithm based on flux difference splitting is presented for the solution of the two-dimensional shallow water equations in a generalised coordinate system. The scheme is based on solving linearised Riemann problems approximately and in more than one dimension incorporates operator splitting. The scheme has good jump capturing properties and the advantage of using body-fitted meshes. Numerical results are shown for flow past a circular obstruction.

An isentropic flow algorithm with body fitted meshes

An efficient algorithm based on flux difference splitting is presented for the solution of the three-dimensional equations of isentropic flow in a generalised coordinate system, and with a general convex gas law. The scheme is based on solving linearised Riemann problems approximately and in more than one dimension incorporates operator splitting. The algorithm requires only one function evaluation of the gas law in each computational cell. The scheme has good shock capturing properties and the advantage of using body-fitted meshes. Numerical results are shown for Mach 3 flow of air past a circular cylinder. Furthermore, the algorithm also applies to shallow water flows by employing the familiar gas dynamics analogy.