An accurate numerical integration scheme for finite rotations using rotation vector parametrization

A numerical integration procedure for rotational motion using a rotation vector parametrization is explored from an engineering perspective by using rudimentary vector analysis. The incremental rotation vector, angular velocity and acceleration correspond to different tangent spaces of the rotation manifold at different times and have a non-vectorial character. We rewrite the equation of motion in terms of vectors lying in the same tangent space, facilitating vector space operations consistent with the underlying geometric structure. While any integration algorithm (that works within a vector space setting) may be used, we presently employ a family of explicit Runge-Kutta algorithms to solve this equation. While this work is primarily motivated out of a need for highly accurate numerical solutions of dissipative rotational systems of engineering interest, we also compare the numerical performance of the present scheme with some of the invariant preserving schemes, namely ALGO-C1, STW, LIEMIDEA] and SUBCYC-M. Numerical results show better local accuracy via the present approach vis-a-vis the preserving algorithms. It is also noted that the preserving algorithms do not simultaneously preserve all constants of motion. We incorporate adaptive time-stepping within the present scheme and this in turn enables still higher accuracy and a `near preservation' of constants of motion over significantly longer intervals. (C) 2010 The Franklin Institute. Published by Elsevier Ltd. All rights reserved.

On the relation between rotation increments in different tangent spaces

In computational mechanics, finite rotations are often represented by rotation vectors. Rotation vector increments corresponding to different tangent: spaces are generally related by a linear operator, known as the tangential transformation T. In this note, we derive the higher order terms that are usually left out in linear relation. The exact nonlinear relation is also presented. Errors via the linearized T are numerically estimated. While the concept of T arises out of the nonlinear characteristics of the rotation manifold, it has been derived via tensor analysis in the context of computational mechanics (Cardona and Geradin, 1988). We investigate the operator T from a Lie group perspective, which provides a better insight and a 1-1 correspondence between approaches based on tensor analysis and the standard matrix Lie group theory. (C) 2010 Elsevier Ltd. All rights reserved.

Infinite dimensional slow modulations in a well known delayed model for cutting tool vibrations

We apply the method of multiple scales (MMS) to a well-known model of regenerative cutting vibrations in the large delay regime. By ``large'' we mean the delay is much larger than the timescale of typical cutting tool oscillations. The MMS up to second order, recently developed for such systems, is applied here to study tool dynamics in the large delay regime. The second order analysis is found to be much more accurate than the first order analysis. Numerical integration of the MMS slow flow is much faster than for the original equation, yet shows excellent accuracy in that plotted solutions of moderate amplitudes are visually near-indistinguishable. The advantages of the present analysis are that infinite dimensional dynamics is retained in the slow flow, while the more usual center manifold reduction gives a planar phase space; lower-dimensional dynamical features, such as Hopf bifurcations and families of periodic solutions, are also captured by the MMS; the strong sensitivity of the slow modulation dynamics to small changes in parameter values, peculiar to such systems with large delays, is seen clearly; and though certain parameters are treated as small (or, reciprocally, large), the analysis is not restricted to infinitesimal distances from the Hopf bifurcation.

Optical and magnetic properties of the exact PPP states of biphenyl

The low-lying singlets and triplets of biphenyl are obtained exactly within the PPP model using the diagrammatic valence bond method. The energy gaps within the singlet manifold as well as the lowest singlet-triplet gap are found to be in good agreement with experimental results. The two weak absorptions between 4·1 and 4·2 eV reported experimentally are attributed to the two states lying below the optical gap that become weakly allowed on breaking electron-hole and inversion symmetries. The observed blue shift of the spectral lines, attributed to a change in dihedral angle, on going from crystalline to solution to vapour phase is also well reproduced within the PPP model. The bond orders show that the ground singlet state is benzenoidal while the dipole excited state as well as the lowest triplet state are quinonoidal and planar. Comparison with the experimental spin densities and the fine structure constants D and E in the triplet state point to slightly weaker correlations than assumed by the PPP model. The introduction of a 1-8 bond to mimic poly(paraphenylene)s gives an optical gap that is in good agreement with experiment.

Electron spectroscopic investigation of the semiconductor-metal transition in La1-xSrxMnO3

We study the electronic structure of La1-xSrxMnO3+δ, x=0, 0.1, 0.2, 0.3, and 0.4, across the semiconductor-metal transition, using various electron spectroscopy techniques. The negligible intensity seen at EF using ultraviolet photoemission spectroscopy and bremsstrahlung isochromat spectroscopy (BIS) indicate an unusual semiconductor-metal transition observed for x≥0.2, consistent with the resistivity data. The BIS spectra show doped hole states developing about 1.4 eV above EF as a function of x. Auger electron spectroscopy gives an estimate of the intra-atomic Coulomb energy in the O 2p manifold to be about 6.8 eV. The Mn 2p core-level spectrum of LaMnO3, analyzed in terms of a configuration-interaction calculation, gives parameter values of the charge-transfer energy Δ=5.0 eV, the hybridization strength between Mn 3d and O 2p states, t=3.8 eV, and the on-site Coulomb energy in Mn 3d states Udd=4.0 eV, suggesting a mixed character for the ground state of LaMnO3.

On Walkup's class K (d) and a minimal triangulation of (S-3 (sic) S-1)(#3)

For d >= 2, Walkup's class K (d) consists of the d-dimensional simplicial complexes all whose vertex-links are stacked (d - 1)-spheres. Kalai showed that for d >= 4, all connected members of K (d) are obtained from stacked d-spheres by finitely many elementary handle additions. According to a result of Walkup, the face vector of any triangulated 4-manifold X with Euler characteristic chi satisfies f(1) >= 5f(0) - 15/2 chi, with equality only for X is an element of K(4). Kuhnel observed that this implies f(0)(f(0) - 11) >= -15 chi, with equality only for 2-neighborly members of K(4). Kuhnel also asked if there is a triangulated 4-manifold with f(0) = 15, chi = -4 (attaining equality in his lower bound). In this paper, guided by Kalai's theorem, we show that indeed there is such a triangulation. It triangulates the connected sum of three copies of the twisted sphere product S-3 (sic) S-1. Because of Kuhnel's inequality, the given triangulation of this manifold is a vertex-minimal triangulation. By a recent result of Effenberger, the triangulation constructed here is tight. Apart from the neighborly 2-manifolds and the infinite family of (2d + 3)-vertex sphere products Sd-1 X S-1 (twisted for d odd), only fourteen tight triangulated manifolds were known so far. The present construction yields a new member of this sporadic family. We also present a self-contained proof of Kalai's result. (C) 2011 Elsevier B.V. All rights reserved.

Spin state and exchange in the quasi-one-dimensional antiferromagnet KFeS2

We report the optical spectra and single crystal magnetic susceptibility of the one-dimensional antiferromagnet KFeS2. Measurements have been carried out to ascertain the spin state of Fe3+ and the nature of the magnetic interactions in this compound. The optical spectra and magnetic susceptibility could be consistently interpreted using a S = 1/2 spin ground state for the Fe3+ ion. The features in the optical spectra have been assigned to transitions within the d-electron manifold of the Fe3+ ion, and analysed in the strong field limit of the ligand field theory. The high temperature isotropic magnetic susceptibility is typical of a low-dimensional system and exhibits a broad maximum at similar to 565 K. The susceptibility shows a well defined transition to a three dimensionally ordered antiferromagnetic state at T-N = 250 K. The intra and interchain exchange constants, J and J', have been evaluated from the experimental susceptibilities using the relationship between these quantities, and chi(max), T-max, and T-N for a spin 1/2 one-dimensional chain. The values are J = -440.71 K, and J' = 53.94 K. Using these values of J and J', the susceptibility of a spin 1/2 Heisenberg chain was calculated. A non-interacting spin wave model was used below T-N. The susceptibility in the paramagnetic region was calculated from the theoretical curves for an infinite S = 1/2 chain. The calculated susceptibility compares well with the experimental data of KFeS2. Further support for a one-dimensional spin 1/2 model comes from the fact that the calculated perpendicular susceptibility at 0K (2.75 x 10(-4) emu/mol) evaluated considering the zero point reduction in magnetization from spin wave theory is close to the projected value (2.7 x 10(-4) emu/mol) obtained from the experimental data.

Volume modelling for emerging manufacturing technologies

The next generation manufacturing technologies will draw on new developments in geometric modelling. Based on a comprehensive analysis of the desiderata of next generation geometric modellers, we present a critical review of the major modelling paradigms, namely, CSG, B-Rep, non-manifold, and voxel models. We present arguments to support the view that voxel-based modellers have attributes that make it the representation scheme of choice in meeting the emerging requirements of geometric modelling.

Synthesis of workspaces of planar manipulators with arbitrary topology using shape representation and simulated annealing

This paper presents a general methodology for the synthesis of the external boundary of the workspaces of a planar manipulator with arbitrary topology. Both the desired workspace and the manipulator workspaces are identified by their boundaries and are treated as simple closed polygons. The paper introduces the concept of best match configuration and shows that the corresponding transformation can be obtained by using the concept of shape normalization available in image processing literature. Introduction of the concept of shape in workspace synthesis allows highly accurate synthesis with fewer numbers of design variables. This paper uses a new global property based vector representation for the shape of the workspaces which is computationally efficient because six out of the seven elements of this vector are obtained as a by-product of the shape normalization procedure. The synthesis of workspaces is formulated as an optimization problem where the distance between the shape vector of the desired workspace and that of the workspace of the manipulator at hand are minimized by changing the dimensional parameters of the manipulator. In view of the irregular nature of the error manifold, the statistical optimization procedure of simulated annealing has been used. A number of worked-out examples illustrate the generality and efficiency of the present method. (C) 1998 Elsevier Science Ltd. All rights reserved.

Surfaces of Bounded Mean Curvature In Riemannian Manifolds

Consider a sequence of closed, orientable surfaces of fixed genus g in a Riemannian manifold M with uniform upper bounds on the norm of mean curvature and area. We show that on passing to a subsequence, we can choose parametrisations of the surfaces by inclusion maps from a fixed surface of the same genus so that the distance functions corresponding to the pullback metrics converge to a pseudo-metric and the inclusion maps converge to a Lipschitz map. We show further that the limiting pseudo-metric has fractal dimension two. As a corollary, we obtain a purely geometric result. Namely, we show that bounds on the mean curvature, area and genus of a surface F subset of M, together with bounds on the geometry of M, give an upper bound on the diameter of F. Our proof is modelled on Gromov's compactness theorem for J-holomorphic curves.

Almost quarter-pinched Kähler metrics and Chern numbers

Given n is an element of Z(+) and epsilon > 0, we prove that there exists delta = delta(epsilon, n) > 0 such that the following holds: If (M(n),g) is a compact Kahler n-manifold whose sectional curvatures K satisfy -1 -delta <= K <= -1/4 and c(I)(M), c(J)(M) are any two Chern numbers of M, then |c(I)(M)/c(J)(M) - c(I)(0)/c(J)(0)| < epsilon, where c(I)(0), c(J)(0) are the corresponding characteristic numbers of a complex hyperbolic space form. It follows that the Mostow-Siu surfaces and the threefolds of Deraux do not admit Kahler metrics with pinching close to 1/4.

A family of Runge-Kutta based explicit methods for rotational dynamics

The present paper develops a family of explicit algorithms for rotational dynamics and presents their comparison with several existing methods. For rotational motion the configuration space is a non-linear manifold, not a Euclidean vector space. As a consequence the rotation vector and its time derivatives correspond to different tangent spaces of rotation manifold at different time instants. This renders the usual integration algorithms for Euclidean space inapplicable for rotation. In the present algorithms this problem is circumvented by relating the equation of motion to a particular tangent space. It has been accomplished with the help of already existing relation between rotation increments which belongs to two different tangent spaces. The suggested method could in principle make any integration algorithm on Euclidean space, applicable to rotation. However, the present paper is restricted only within explicit Runge-Kutta enabled to handle rotation. The algorithms developed here are explicit and hence computationally cheaper than implicit methods. Moreover, they appear to have much higher local accuracy and hence accurate in predicting any constants of motion for reasonably longer time. The numerical results for solutions as well as constants of motion, indicate superior performance by most of our algorithms, when compared to some of the currently known algorithms, namely ALGO-C1, STW, LIEMID[EA], MCG, SUBCYC-M.

Anomalous temperature dependence of phonons and photoluminescence bands in pyrochlore Er(2)Ti(2)O(7): signatures of structural deformation at 130 K

We report a Raman study of single crystal pyrochlore Er(2)Ti(2)O(7) as a function of temperature from 12 to 300 K. In addition to the phonons, various photoluminescence (PL) lines of Er(3+) in the visible range are also observed. Our Raman data show an anomalous red-shift of two phonons (one at similar to 200 cm(-1) and another at similar to 520 cm(-1)) upon cooling from room temperature which is attributed to phonon-phonon anharmonic interactions. However, the phonons at similar to 310, 330, and 690 cm(-1) initially show a blue-shift upon cooling from room temperature down to about 130 K, followed by a red-shift, indicating a structural deformation at similar to 130 K. The intensities of the PL bands associated with the transitions between the various levels of the ground state manifold ((4)I(15/2)) and the (2)H(11/2) as well as (4)S(3/2) excited state manifolds of Er(3+) show a change at similar to 130 K. Moreover, the temperature dependence of the peak position of the two PL bands shows a change in their slope (d(omega)/d(T)) at similar to 130 K, thus further strengthening the proposal of a structural deformation. The temperature dependence of the peak positions of the PL bands has been analyzed using the theory of optical dephasing in crystals.

Minimal Triangulations of Manifolds

Finding vertex-minimal triangulations of closed manifolds is a very difficult problem. Except for spheres and two series of manifolds, vertex-minimal triangulations are known for only few manifolds of dimension more than 2 (see the table given at the end of Section 5). In this article, we present a brief survey on the works done in last 30 years on the following:(i) Finding the minimal number of vertices required to triangulate a given pl manifold. (ii) Given positive integers n and d, construction of n-vertex triangulations of different d-dimensional pl manifolds. (iii) Classifications of all the triangulations of a given pl manifold with same number of vertices.In Section 1, we have given all the definitions which are required for the remaining part of this article. A reader can start from Section 2 and come back to Section 1 as and when required. In Section 2, we have presented a very brief history of triangulations of manifolds. In Section 3,we have presented examples of several vertex-minimal triangulations. In Section 4, we have presented some interesting results on triangulations of manifolds. In particular, we have stated the Lower Bound Theorem and the Upper Bound Theorem. In Section 5, we have stated several results on minimal triangulations without proofs. Proofs are available in the references mentioned there. We have also presented some open problems/conjectures in Sections 3 and 5.

Minimal triangulation, complementarity and projective planes

Brehm and Kuhnel proved that if M-d is a combinatorial d-manifold with 3d/2 + 3 vertices and \ M-d \ is not homeomorphic to Sd then the combinatorial Morse number of M-d is three and hence d is an element of {0, 2, 4, 8, 16} and \ M-d \ is a manifold like a projective plane in the sense of Eells and Kuiper. We discuss the existence and uniqueness of such combinatorial manifolds. We also present the following result: ''Let M-n(d) be a combinatorial d-manifold with n vertices. M-n(d) satisfies complementarity if and only if d is an element of {0, 2, 4, 8, 16} with n = 3d/2 + 3 and \ M-n(d) \ is a manifold like a projective plane''.