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Symmetry Analysis (symmetry + analysis)
Selected AbstractsMöbius Transformations For Global Intrinsic Symmetry AnalysisCOMPUTER GRAPHICS FORUM, Issue 5 2010Vladimir G. Kim The goal of our work is to develop an algorithm for automatic and robust detection of global intrinsic symmetries in 3D surface meshes. Our approach is based on two core observations. First, symmetry invariant point sets can be detected robustly using critical points of the Average Geodesic Distance (AGD) function. Second, intrinsic symmetries are self-isometries of surfaces and as such are contained in the low dimensional group of Möbius transformations. Based on these observations, we propose an algorithm that: 1) generates a set of symmetric points by detecting critical points of the AGD function, 2) enumerates small subsets of those feature points to generate candidate Möbius transformations, and 3) selects among those candidate Möbius transformations the one(s) that best map the surface onto itself. The main advantages of this algorithm stem from the stability of the AGD in predicting potential symmetric point features and the low dimensionality of the Möbius group for enumerating potential self-mappings. During experiments with a benchmark set of meshes augmented with human-specified symmetric correspondences, we find that the algorithm is able to find intrinsic symmetries for a wide variety of object types with moderate deviations from perfect symmetry. [source] Symmetry Analysis of Antiferroquadrupolar Order and Accompanying Atomic Displacements in CeB6.CHEMINFORM, Issue 37 2005Wieslawa Sikora Abstract For Abstract see ChemInform Abstract in Full Text. [source] Symmetry analysis of extinction rules in diffuse-scattering experimentsACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2010R. L. Withers Structured diffuse-scattering intensities, whether of compositional or of pure displacive origin, static or dynamic, contain important information about the symmetry of the individual compositional and/or displacive modes responsible for the observed intensities. However, the interpretation of the experimental data is very often impeded by the lack of a symmetry-based approach to the analysis of the structured diffuse-scattering distributions. Recently, we have demonstrated the existence of systematic phonon selection rules for diffuse scattering that depend on the symmetries of the mode and the scattering vector, and not on the specific structure. Here, we show that such symmetry analysis can be successfully extended and also applied to structure-dependent diffuse scattering associated with `disordered' materials: the combination of theoretically determined, diffuse-scattering extinction conditions with the concept of non-characteristic orbits proves to be very useful in the interpretation of the observed diffuse-scattering extinctions. The utility of this approach is illustrated by the analysis of diffuse-scattering data from ThAsSe, FeOF and FeF2. The essential part of the associated calculations are performed by the computer programs NEUTRON (systematic phonon extinction rules in inelastic scattering) and NONCHAR (non-characteristic orbits of space groups) that are available on the Bilbao crystallographic server (http://www.cryst.ehu.es). [source] Increased risk of hip fracture in the elderly associated with prochlorperazine: is a prescribing cascade contributing?,PHARMACOEPIDEMIOLOGY AND DRUG SAFETY, Issue 9 2010Gillian E. Caughey Abstract Purpose To examine the prescribing of prochlorperazine secondary to the prescribing of a medicine which could lead to symptoms for which prochlorperazine is indicated and commonly used. Given the range of potential hypotensive, sedative, dystonic and other extra-pyramidal side effects associated with prochlorperazine, its association with hip fracture was also examined. Methods Prescription/event sequence symmetry analyses were undertaken from 1st January 2003 to 31st December 2006, using administrative claims data from the Department of Veterans' Affairs, Australia. This method assesses asymmetry in the distribution of an incident event (either prescription of another medicine or hospitalization) before and after the initiation of prochlorperazine. Crude and adjusted sequence ratios (ASR) with 95% confidence intervals (CI) were calculated. Results A total of 34,235 persons with incident use of prochlorperazine were identified during the study period. Statistically significant positive associations were found for a number of commonly used medicines, including cardiovascular medicines, NSAIDs, opioids and sedatives and the subsequent initiation of prochlorperazine that ranged from 1.07 (95%CI 1.01,1.14) for diuretics to 1.50 (95%CI 1.40,1.61) for statins. Prescription event analysis showed a 49% (95%CI 1.19,1.86) increased risk of hospitalisation for hip fracture following dispensing of prochlorperazine. Conclusions Prescribers should consider the possible contributing role of newly initiated medicines with the potential to cause of dizziness, and where possible address this through dose reduction or cessation of the medicine, rather than prescribing prochlorperazine. Copyright © 2010 John Wiley & Sons, Ltd. [source] Symmetry determination following structure solution in P1JOURNAL OF APPLIED CRYSTALLOGRAPHY, Issue 6 2008L. Palatinus A new method for space-group determination is described. It is based on a symmetry analysis of the structure-factor phases resulting from a structure solution in space group P1. The output of the symmetry analysis is a list of all symmetry operations compatible with the lattice. Each symmetry operation is assigned a symmetry agreement factor that is used to select the symmetry operations that are the elements of the space group of the structure. On the basis of the list of the selected operations the complete space group of the structure is constructed. The method is independent of the number of dimensions, and can also be used in solution of aperiodic structures. A number of cases are described where this method is particularly advantageous compared with the traditional symmetry analysis. [source] Second harmonic generation in centrosymmetric transition-metal oxidesPHYSICA STATUS SOLIDI (C) - CURRENT TOPICS IN SOLID STATE PHYSICS, Issue 12 2005Georgios Lefkidis Abstract Second harmonic generation is a powerful tool for monitoring ultrafast dynamics and investigating domain structures in transition-metal oxides. A symmetry analysis of the contributions to the second order susceptibility tensor of different antiferromagnetic domains is performed, and the role of the phonons is discussed. (© 2005 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Symmetry analysis of extinction rules in diffuse-scattering experimentsACTA CRYSTALLOGRAPHICA SECTION B, Issue 3 2010R. L. Withers Structured diffuse-scattering intensities, whether of compositional or of pure displacive origin, static or dynamic, contain important information about the symmetry of the individual compositional and/or displacive modes responsible for the observed intensities. However, the interpretation of the experimental data is very often impeded by the lack of a symmetry-based approach to the analysis of the structured diffuse-scattering distributions. Recently, we have demonstrated the existence of systematic phonon selection rules for diffuse scattering that depend on the symmetries of the mode and the scattering vector, and not on the specific structure. Here, we show that such symmetry analysis can be successfully extended and also applied to structure-dependent diffuse scattering associated with `disordered' materials: the combination of theoretically determined, diffuse-scattering extinction conditions with the concept of non-characteristic orbits proves to be very useful in the interpretation of the observed diffuse-scattering extinctions. The utility of this approach is illustrated by the analysis of diffuse-scattering data from ThAsSe, FeOF and FeF2. The essential part of the associated calculations are performed by the computer programs NEUTRON (systematic phonon extinction rules in inelastic scattering) and NONCHAR (non-characteristic orbits of space groups) that are available on the Bilbao crystallographic server (http://www.cryst.ehu.es). [source] Magnetic behaviour of synthetic Co2SiO4ACTA CRYSTALLOGRAPHICA SECTION B, Issue 6 2009Andrew Sazonov Synthetic Co2SiO4 crystallizes in the olivine structure (space group ) with two crystallographically non-equivalent Co positions and shows antiferromagnetic ordering below 50,K. We have investigated the temperature variation of the Co2SiO4 magnetic structure by means of non-polarized and polarized neutron diffraction for single crystals. Measurements with non-polarized neutrons were made at 2.5,K (below TN), whereas polarized neutron diffraction experiments were carried out at 70 and 150,K (above TN) in an external magnetic field of 7,T parallel to the b axis. Additional accurate non-polarized powder diffraction studies were performed in a broad temperature range from 5 to 500,K with small temperature increments. Detailed symmetry analysis of the Co2SiO4 magnetic structure shows that it corresponds to the magnetic (Shubnikov) group Pnma, which allows the antiferromagnetic configuration (Gx, Cy, Az) for the 4a site with inversion symmetry (Co1 position) and (0,Cy,0) for the 4c site with mirror symmetry m (Co2 position). The temperature dependence of the Co1 and Co2 magnetic moments obtained from neutron diffraction experiments was fitted in a modified molecular-field model. The polarized neutron study of the magnetization induced by an applied field shows a non-negligible amount of magnetic moment on the oxygen positions, indicating a delocalization of the magnetic moment from Co towards neighbouring O owing to superexchange coupling. The relative strength of the exchange interactions is discussed based on the non-polarized and polarized neutron data. [source] Electron diffraction of ABX3 perovskites with both layered ordering of A cations and tilting of BX6 octahedraACTA CRYSTALLOGRAPHICA SECTION B, Issue 4 2009Kyosuke Kishida It is shown that 21 ABX3 perovskites with tilted BX6 octahedra and layered ordering of A cations can be generated on the basis of group,subgroup relations. These structures (with 16 different space groups) are classified into ten diffraction types in terms of the conditions for superstructure reflections caused by the ordering of A cations, tilting of BX6 octahedra and structural absences. SAED (selected-area electron diffraction) allows the distinction of seven of the 21 different perovskites, while additional symmetry analysis by CBED (convergent-beam electron diffraction) is needed for the remaining 14 structures. The space groups of lithium lanthanum titanate pseudomorphs (with discrete chemical compositions) are successfully deduced by electron diffraction experiments. [source] | ||||||||||