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Sample records for icosahedral point-group symmetry

  1. Topological phases protected by point group symmetry

    NASA Astrophysics Data System (ADS)

    Huang, Sheng-Jie; Song, Hao; Hermele, Michael

    There has been remarkable progress in the theoretical understanding of symmetry protected topological (SPT) phases. However, most theories focus on internal, or on-site, symmetries, even though spatial symmetries are important in solids. In this talk, we classify bosonic SPT phases protected by crystalline point group symmetry, which we dub point group SPT (pgSPT) phases. Our approach is based on a procedure to reduce a d-dimensional pgSPT phase to lower-dimensional SPT phases protected by internal symmetry. For three-dimensional pgSPT phases, this approach allows us to gain insight into non-trivial properties at symmetry preserving surfaces. In particular, we obtain toy models for the surfaces of certain pgSPT phases at which there is a symmetry preserving Z2 topological order with anomalous symmetry fractionalization. We also discuss connections between bosonic pgSPT phases and electronic topological crystalline insulators. This research is supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) under Award # DE-SC0014415.

  2. Teaching Point-Group Symmetry with Three-Dimensional Models

    ERIC Educational Resources Information Center

    Flint, Edward B.

    2011-01-01

    Three tools for teaching symmetry in the context of an upper-level undergraduate or introductory graduate course on the chemical applications of group theory are presented. The first is a collection of objects that have the symmetries of all the low-symmetry and high-symmetry point groups and the point groups with rotational symmetries from 2-fold…

  3. Parity-time symmetry broken by point-group symmetry

    SciTech Connect

    Fernández, Francisco M. Garcia, Javier

    2014-04-15

    We discuss a parity-time (PT) symmetric Hamiltonian with complex eigenvalues. It is based on the dimensionless Schrödinger equation for a particle in a square box with the PT-symmetric potential V(x, y) = iaxy. Perturbation theory clearly shows that some of the eigenvalues are complex for sufficiently small values of |a|. Point-group symmetry proves useful to guess if some of the eigenvalues may already be complex for all values of the coupling constant. We confirm those conclusions by means of an accurate numerical calculation based on the diagonalization method. On the other hand, the Schrödinger equation with the potential V(x, y) = iaxy{sup 2} exhibits real eigenvalues for sufficiently small values of |a|. Point group symmetry suggests that PT-symmetry may be broken in the former case and unbroken in the latter one.

  4. DNA Cages with Icosahedral Symmetry in Bionanotechnology

    NASA Astrophysics Data System (ADS)

    Jonoska, Nataša; Taormina, Anne; Twarock, Reidun

    Blueprints for polyhedral cages with icosahedral symmetry made of circular DNA molecules are provided. The basic rule is that every edge of the cage is met twice in opposite directions by the DNA strand(s), and vertex junctions are realized by a set of admissible junction types. As nanocontainers for cargo storage and delivery, the icosidodecahedral cages are of special interest because they have the largest volume per surface ratio of all cages discussed here.

  5. Anticoherence of spin states with point-group symmetries

    NASA Astrophysics Data System (ADS)

    Baguette, D.; Damanet, F.; Giraud, O.; Martin, J.

    2015-11-01

    We investigate multiqubit permutation-symmetric states with maximal entropy of entanglement. Such states can be viewed as particular spin states, namely anticoherent spin states. Using the Majorana representation of spin states in terms of points on the unit sphere, we analyze the consequences of a point-group symmetry in their arrangement on the quantum properties of the corresponding state. We focus on the identification of anticoherent states (for which all reduced density matrices in the symmetric subspace are maximally mixed) associated with point-group-symmetric sets of points. We provide three different characterizations of anticoherence and establish a link between point symmetries, anticoherence, and classes of states equivalent through stochastic local operations with classical communication. We then investigate in detail the case of small numbers of qubits and construct infinite families of anticoherent states with point-group symmetry of their Majorana points, showing that anticoherent states do exist to arbitrary order.

  6. Crystallography of decahedral and icosahedral particles. II - High symmetry orientations

    NASA Technical Reports Server (NTRS)

    Yang, C. Y.; Yacaman, M. J.; Heinemann, K.

    1979-01-01

    Based on the exact crystal structure of decahedral and icosahedral particles, high energy electron diffraction patterns and image profiles have been derived for various high symmetry orientations of the particles with respect to the incident beam. These results form a basis for the identification of small metal particle structures with advanced methods of transmission electron microscopy.

  7. Virus templated plasmonic nanoclusters with icosahedral symmetry via directed assembly

    NASA Astrophysics Data System (ADS)

    Ratna, Banahalli; Fontana, Jake; Dressick, Walter; Phelps, Jamie; Johnson, John; Sampson, Travian; Rendell, Ronald; Soto, Carissa

    2015-03-01

    Controlling the spatial and orientational order of plasmonic nanoparticles may lead to structures with novel electromagnetic properties and applications such as sub-wavelength imaging and ultra-sensitive chemical sensors. Here we report the directed assembly of three-dimensional, icosahedral plasmonic nanoclusters with resonances at visible wavelengths. We show using transmission electron microcopy and in situ dynamic light scattering the nanoclusters consist of twelve gold nanospheres attached to thiol groups at predefined locations on the surface of a genetically engineered cowpea mosaic virus with icosahedral symmetry. We measured the bulk absorbance from aqueous suspensions of nanoclusters and reproduced the major features of the spectrum using finite-element simulations. Furthermore, because the viruses are easily produced in gram quantities the directed assembly approach is capable of high-throughput, providing a strategy to realize large quantities for applications. NRL summer intern under the HBCU/MI Summer Research Program.

  8. The Effect of Instructional Modality and Prior Knowledge on Learning Point Group Symmetry

    ERIC Educational Resources Information Center

    Nottis, Katharyn E. K.; Kastner, Margaret E.

    2005-01-01

    Many topics in chemistry are difficult for learners to understand, including symmetry. Reasons for this difficulty include its multi-level content, instructional methodologies utilized, and learner variables. This study examined the effect of initial instructional modality and prior knowledge on learning of point group symmetry. Forty-four…

  9. Virtual and Printed 3D Models for Teaching Crystal Symmetry and Point Groups

    ERIC Educational Resources Information Center

    Casas, Lluís; Estop, Euge`nia

    2015-01-01

    Both, virtual and printed 3D crystal models can help students and teachers deal with chemical education topics such as symmetry and point groups. In the present paper, two freely downloadable tools (interactive PDF files and a mobile app) are presented as examples of the application of 3D design to study point-symmetry. The use of 3D printing to…

  10. Comparison of Stretching Force Constants in Symmetry Coordinates between Td and C3v Point Groups

    NASA Astrophysics Data System (ADS)

    Julian, Maureen M.

    1999-05-01

    In this paper we consider what happens to the force constants of a silicate moiety (SiO4) when the length of one of its bonds is changed. This situation exists in the molecule O3SiObrSiO3, where Obr is the bridging oxygen atom connecting the two SiO3 moieties. The problem is to present a set of force constants such that when the structure of the more symmetric molecule is perturbed, the relevant force constants are also perturbed. Algebraic expressions are derived for the stretching force constants of SiO4 (tetrahedral point group Td) and ObrSiO3 (point group C3v) in symmetry coordinates. This paper is addressed to students and researchers in applied group theory who wish to compare force constants between similar molecules. We assume the reader has some familarity with the group theoretical methods presented by Wilson et al. (Wilson, E. B. Jr.; Decius, J. C.; Cross, P. C. Molecular Vibrations; Dover: New York, 1980). We cannot apply Wilson's method for obtaining symmetry coordinates from internal coordinates directly, as we demonstrate. Instead we must start with the irreducible representations of the symmetries of the moiety with the higher symmetry and then reduce them to the representations of the symmetries of the moiety with the lower symmetry. The symmetry coordinates are calculated for each species in order to factor the secular equation. The matrix representations of the generators of these point groups are a function of the specific symmetry coordinates. Finally, the symmetry coordinates are applied to the force constant matrix and the algebraic results are compared.

  11. The Effect of Instructional Modality and Prior Knowledge on Learning Point Group Symmetry

    NASA Astrophysics Data System (ADS)

    Nottis, Katharyn E. K.; Kastner, Margaret E.

    2005-03-01

    Many topics in chemistry are difficult for learners to understand, including symmetry. Reasons for this difficulty include its multi-level content, instructional methodologies utilized, and learner variables. This study examined the effect of initial instructional modality and prior knowledge on learning of point group symmetry. Forty-four students in a sophomore-level inorganic chemistry class at a small private university were divided by pre-selected lab groups into two groups, lecture and computer, for introductory information about point group symmetry. Both groups had low prior knowledge of symmetry elements although the lecture group had significantly higher knowledge than the computer group. After initial instruction, the lecture group scored significantly higher than the computer group on a point group assessment, even when prior knowledge was controlled. A second assessment, given after both groups had follow-up information from computer courseware, showed no significant difference between the groups. The computer group significantly improved between the two assessments, the lecture group did not. At the end-of-the semester post-test showed no significant difference between the two groups, although only 50% of the students in each group achieved mastery. Factors affecting the significant improvement of the low prior knowledge, computer group were examined and recommendations for future research provided.

  12. Teaching Molecular Symmetry of Dihedral Point Groups by Drawing Useful 2D Projections

    ERIC Educational Resources Information Center

    Chen, Lan; Sun, Hongwei; Lai, Chengming

    2015-01-01

    There are two main difficulties in studying molecular symmetry of dihedral point groups. One is locating the C[subscript 2] axes perpendicular to the C[subscript n] axis, while the other is finding the s[subscript]d planes which pass through the C[subscript n] axis and bisect the angles formed by adjacent C[subscript 2] axes. In this paper, a…

  13. Three-dimensional photonic Dirac points stabilized by point group symmetry

    NASA Astrophysics Data System (ADS)

    Wang, HaiXiao; Xu, Lin; Chen, HuanYang; Jiang, Jian-Hua

    2016-06-01

    We discover a pair of stable three-dimensional (3D) Dirac points, a 3D photonic analog of graphene, in all-dielectric photonic crystals using structures commensurate with nanofabrication for visible-frequency photonic applications. The Dirac points carry nontrivial Z2 topology and emerge for a large range of material parameters in hollow cylinder hexagonal photonic crystals. From Kramers theorem and group theory, we find that only the C6 symmetry leads to point group symmetry stabilized Dirac points in 3D all-dielectric photonic crystals. The Dirac points are characterized using k ⃗.P ⃗ theory for photonic bands in combination with symmetry analysis. Breaking inversion symmetry splits the Dirac points into Weyl points. The physical properties and experimental consequences of Dirac points are also studied. The Dirac points are found to be robust against parameter tuning and weak disorders.

  14. Virus-Templated Plasmonic Nanoclusters with Icosahedral Symmetry via Directed Self-Assembly

    PubMed Central

    Fontana, Jake; Dressick, Walter J; Phelps, Jamie; Johnson, John E; Rendell, Ronald W; Sampson, Travian; Ratna, Banahalli R; Soto, Carissa M

    2014-01-01

    The assembly of plasmonic nanoparticles with precise spatial and orientational order may lead to structures with new electromagnetic properties at optical frequencies. The directed self-assembly method presented controls the interparticle-spacing and symmetry of the resulting nanometer-sized elements in solution. The self-assembly of three-dimensional (3D), icosahedral plasmonic nanosclusters (NCs) with resonances at visible wavelengths is demonstrated experimentally. The ideal NCs consist of twelve gold (Au) nanospheres (NSs) attached to thiol groups at predefined locations on the surface of a genetically engineered cowpea mosaic virus with icosahedral symmetry. In situ dynamic light scattering (DLS) measurements confirm the NSs assembly on the virus. Transmission electron micrographs (TEM) demonstrate the ability of the self-assembly method to control the nanoscopic symmetry of the bound NSs, which reflects the icosahedral symmetry of the virus. Both, TEM and DLS show that the NCs comprise of a distribution of capsids mostly covered (i.e., 6–12 NS/capsid) with NSs. 3D finite-element simulations of aqueous suspensions of NCs reproduce the experimental bulk absorbance measurements and major features of the spectra. Simulations results show that the fully assembled NCs give rise to a 10-fold surface-averaged enhancement of the local electromagnetic field. PMID:24733721

  15. Icosahedral symmetry breaking: C(60) to C(84), C(108) and to related nanotubes.

    PubMed

    Bodner, Mark; Bourret, Emmanuel; Patera, Jiri; Szajewska, Marzena

    2015-05-01

    This paper completes the series of three independent articles [Bodner et al. (2013). Acta Cryst. A69, 583-591, (2014), PLOS ONE, 10.1371/journal.pone.0084079] describing the breaking of icosahedral symmetry to subgroups generated by reflections in three-dimensional Euclidean space {\\bb R}^3 as a mechanism of generating higher fullerenes from C60. The icosahedral symmetry of C60 can be seen as the junction of 17 orbits of a symmetric subgroup of order 4 of the icosahedral group of order 120. This subgroup is noted by A1 × A1, because it is isomorphic to the Weyl group of the semi-simple Lie algebra A1 × A1. Thirteen of the A1 × A1 orbits are rectangles and four are line segments. The orbits form a stack of parallel layers centered on the axis of C60 passing through the centers of two opposite edges between two hexagons on the surface of C60. These two edges are the only two line segment layers to appear on the surface shell. Among the 24 convex polytopes with shell formed by hexagons and 12 pentagons, having 84 vertices [Fowler & Manolopoulos (1992). Nature (London), 355, 428-430; Fowler & Manolopoulos (2007). An Atlas of Fullerenes. Dover Publications Inc.; Zhang et al. (1993). J. Chem. Phys. 98, 3095-3102], there are only two that can be identified with breaking of the H3 symmetry to A1 × A1. The remaining ones are just convex shells formed by regular hexagons and 12 pentagons without the involvement of the icosahedral symmetry. PMID:25921498

  16. Binary icosahedral flavor symmetry for four generations of quarks and leptons

    NASA Astrophysics Data System (ADS)

    Chen, Chian-Shu; Kephart, Thomas W.; Yuan, Tzu-Chiang

    2013-10-01

    To include the quark sector, the A5≡ I (icosahedron) four generation lepton model is extended to a binary icosahedral symmetry I' flavor model. We find that the masses of fermions, including the heavy sectors, can be accommodated. At leading order the Cabibbo-Kobayashi-Maskawa (CKM) matrix is the identity and the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) matrix, resulting from the same set of vacua, corresponds to tribimaximal mixings.

  17. Human Rhinovirus Subviral A Particle Binds to Lipid Membranes over a Twofold Axis of Icosahedral Symmetry

    PubMed Central

    Kumar, Mohit

    2013-01-01

    Minor group human rhinoviruses bind low-density lipoprotein (LDL) receptors for endocytosis. Once they are inside endosomes, the acidic pH triggers their dissociation from the receptors and conversion into hydrophobic subviral A particles; these attach to the membrane and transfer their single-strand, positive-sense RNA genome into the cytosol. Here, we allowed human rhinovirus 2 (HRV2) A particles, produced in vitro by incubation at pH 5.4, to attach to liposomes; cryo-electron microscopy 3-dimensional single-particle image reconstruction revealed that they bind to the membrane around a 2-fold icosahedral symmetry axis. PMID:23946453

  18. Pentagonal and icosahedral order in rapidly cooled metals

    NASA Astrophysics Data System (ADS)

    Nelson, D. R.; Halperin, B. I.

    1985-07-01

    The discovery of an alloy of aluminum and manganese with sharp Bragg diffraction spots and an icosahedral point group symmetry was announced last year. The icosahedral symmetry appears to be an intrinsic property fo the material and not an artifact of twinning. There are remarkable similarities between the observed diffraction patterns and aperiodic tesselations of space called Penrose tiles. The relation between the experiments and Penrose tiles, as well as phenomenological descriptions of the icosahedral aluminum-manganese alloy as a superposition of incommensurate density waves, are reviewed. Other types of exotic crystallography are also discussed.

  19. Generating symmetry-adapted bases for non-Abelian point groups to be used in vibronic coupling Hamiltonians

    NASA Astrophysics Data System (ADS)

    Robertson, Christopher; Worth, Graham A.

    2015-10-01

    The vibronic coupling Hamiltonian is a standard model used to describe the potential energy surfaces of systems in which non-adiabatic coupling is a key feature. This includes Jahn-Teller and Renner-Teller systems. The model approximates diabatic potential energy functions as polynomials expanded about a point of high symmetry. One must ensure the model Hamiltonian belongs to the totally symmetric irreducible representation of this point group. Here, a simple approach is presented to generate functions that form a basis for totally symmetric irreducible representations of non-Abelian groups and apply it to D∞h (2D) and O (3D). For the O group, the use of a well known basis-generating operator is also required. The functions generated for D∞h are then used to construct a ten state, four coordinate model of acetylene. The calculated absorption spectrum is compared to the experimental spectrum to serve as a validation of the approach.

  20. On the use of Abelian point group symmetry in density-fitted local MP2 using various types of virtual orbitals

    SciTech Connect

    Köppl, Christoph; Werner, Hans-Joachim

    2015-04-28

    Electron correlation methods based on symmetry-adapted canonical Hartree-Fock orbitals can be speeded up significantly in the well known group theoretical manner, using the fact that integrals vanish unless the integrand is totally symmetric. In contrast to this, local electron correlation methods cannot benefit from such simplifications, since the localized molecular orbitals (LMOs) generally do not transform according to irreducible representations of the underlying point group symmetry. Instead, groups of LMOs become symmetry-equivalent and this can be exploited to accelerate local calculations. We describe an implementation of such a symmetry treatment for density-fitted local Møller-Plesset perturbation theory, using various types of virtual orbitals: Projected atomic orbitals, orbital specific virtuals, and pair natural orbitals. The savings by the symmetry treatment are demonstrated by calculations for several large molecules having different point group symmetries. Benchmarks for the parallel execution efficiency of our method are also presented.

  1. A [Cu3(μ3-O)]–pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3

    PubMed Central

    Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G.

    2016-01-01

    The trinuclear triangular cuprate anion of the title compound, tris­[bis­(tri­phenyl­phospho­ranyl­idene)ammonium] tris­(μ2-4-chloro­pyrazolato-κ2 N:N′)-μ3-oxido-tris­[(nitrato-κ2 O,O′)cuprate(II)] nitrate monohydrate, (C36H30P2N)[Cu3(C3H2ClN2)3(NO3)3O]NO3·H2O, has point group symmetry 3., with the μ3-O atom located on the threefold rotation axis. The distorted square-pyramidal coordination sphere of the CuII atom is completed by two N atoms of trans-bridging pyrazolate groups and a chelating nitrate anion. The complex anion is slightly bent, with the nitrate and pyrazolate groups occupying positions above and below the Cu3 plane, respectively. In the crystal, weak O—H⋯O and C—H⋯O hydrogen bonds, as well as π–π inter­actions, are present. PMID:27375872

  2. A [Cu3(μ3-O)]-pyrazolate metallacycle with terminal nitrate ligands exhibiting point group symmetry 3.

    PubMed

    Mathivathanan, Logesh; Cruz, Raquel; Raptis, Raphael G

    2016-04-01

    The trinuclear triangular cuprate anion of the title compound, tris-[bis-(tri-phenyl-phospho-ranyl-idene)ammonium] tris-(μ2-4-chloro-pyrazolato-κ(2) N:N')-μ3-oxido-tris-[(nitrato-κ(2) O,O')cuprate(II)] nitrate monohydrate, (C36H30P2N)[Cu3(C3H2ClN2)3(NO3)3O]NO3·H2O, has point group symmetry 3., with the μ3-O atom located on the threefold rotation axis. The distorted square-pyramidal coordination sphere of the Cu(II) atom is completed by two N atoms of trans-bridging pyrazolate groups and a chelating nitrate anion. The complex anion is slightly bent, with the nitrate and pyrazolate groups occupying positions above and below the Cu3 plane, respectively. In the crystal, weak O-H⋯O and C-H⋯O hydrogen bonds, as well as π-π inter-actions, are present. PMID:27375872

  3. Symmetry-adapted digital modeling III. Coarse-grained icosahedral viruses.

    PubMed

    Janner, A

    2016-05-01

    Considered is the coarse-grained modeling of icosahedral viruses in terms of a three-dimensional lattice (the digital modeling lattice) selected among the projected points in space of a six-dimensional icosahedral lattice. Backbone atomic positions (Cα's for the residues of the capsid and phosphorus atoms P for the genome nucleotides) are then indexed by their nearest lattice point. This leads to a fine-grained lattice point characterization of the full viral chains in the backbone approximation (denoted as digital modeling). Coarse-grained models then follow by a proper selection of the indexed backbone positions, where for each chain one can choose the desired coarseness. This approach is applied to three viruses, the Satellite tobacco mosaic virus, the bacteriophage MS2 and the Pariacoto virus, on the basis of structural data from the Brookhaven Protein Data Bank. In each case the various stages of the procedure are illustrated for a given coarse-grained model and the corresponding indexed positions are listed. Alternative coarse-grained models have been derived and compared. Comments on related results and approaches, found among the very large set of publications in this field, conclude this article. PMID:27126109

  4. Crystallography of decahedral and icosahedral particles. I - Geometry of twinning

    NASA Technical Reports Server (NTRS)

    Yang, C. Y.

    1979-01-01

    The crystal structure of the tetrahedral twins in multiply-twinned particles with decahedral and icosahedral point group symmetries has been examined and correlated with the face-centered cubic structure. Details on the crystal structure as well as the geometrical relationships among twins in each particle are presented. These crystallographic facts serve as a basis for the interpretation of small particle images obtained with advanced methods of transmission electron microscopy.

  5. Protruding knob-like proteins violate local symmetries in an icosahedral marine virus

    PubMed Central

    Gipson, Preeti; Baker, Matthew L.; Raytcheva, Desislava; Haase-Pettingell, Cameron; Piret, Jacqueline; King, Jonathan A.; Chiu, Wah

    2014-01-01

    Marine viruses play crucial roles in shaping the dynamics of oceanic microbial communities and in the carbon cycle on Earth. Here we report a 4.7-Å structure of a cyanobacterial virus, Syn5, by electron cryo-microscopy and modelling. A Cα backbone trace of the major capsid protein (gp39) reveals a classic phage protein fold. In addition, two knob-like proteins protruding from the capsid surface are also observed. Using bioinformatics and structure analysis tools, these proteins are identified to correspond to gp55 and gp58 (each with two copies per asymmetric unit). The non 1:1 stoichiometric distribution of gp55/58 to gp39 breaks all expected local symmetries and leads to non-quasi-equivalence of the capsid subunits, suggesting a role in capsid stabilization. Such a structural arrangement has not yet been observed in any known virus structures. PMID:24985522

  6. Protruding knob-like proteins violate local symmetries in an icosahedral marine virus

    NASA Astrophysics Data System (ADS)

    Gipson, Preeti; Baker, Matthew L.; Raytcheva, Desislava; Haase-Pettingell, Cameron; Piret, Jacqueline; King, Jonathan A.; Chiu, Wah

    2014-07-01

    Marine viruses play crucial roles in shaping the dynamics of oceanic microbial communities and in the carbon cycle on Earth. Here we report a 4.7-Å structure of a cyanobacterial virus, Syn5, by electron cryo-microscopy and modelling. A Cα backbone trace of the major capsid protein (gp39) reveals a classic phage protein fold. In addition, two knob-like proteins protruding from the capsid surface are also observed. Using bioinformatics and structure analysis tools, these proteins are identified to correspond to gp55 and gp58 (each with two copies per asymmetric unit). The non 1:1 stoichiometric distribution of gp55/58 to gp39 breaks all expected local symmetries and leads to non-quasi-equivalence of the capsid subunits, suggesting a role in capsid stabilization. Such a structural arrangement has not yet been observed in any known virus structures.

  7. Crystallography of icosahedral crystals

    NASA Astrophysics Data System (ADS)

    Bak, P.

    The crystallography of icosahedral crystals is constructed. The actual three-dimensional crystal is represented by a three-dimensional cut in a regular six-dimensional periodic crystal with symmetry described by a six-dimensional space group, and the positions of atoms correspond to an arrangement of hypersurface segments. The resulting crystal cannot in general be viewed as a space-filling arrangemment of a small number of different Penrose tiles. The intensities of Bragg spots are given directly as the intensities of Bragg spots of the six-dimensional crystal.

  8. Approximation of virus structure by icosahedral tilings.

    PubMed

    Salthouse, D G; Indelicato, G; Cermelli, P; Keef, T; Twarock, R

    2015-07-01

    Viruses are remarkable examples of order at the nanoscale, exhibiting protein containers that in the vast majority of cases are organized with icosahedral symmetry. Janner used lattice theory to provide blueprints for the organization of material in viruses. An alternative approach is provided here in terms of icosahedral tilings, motivated by the fact that icosahedral symmetry is non-crystallographic in three dimensions. In particular, a numerical procedure is developed to approximate the capsid of icosahedral viruses by icosahedral tiles via projection of high-dimensional tiles based on the cut-and-project scheme for the construction of three-dimensional quasicrystals. The goodness of fit of our approximation is assessed using techniques related to the theory of polygonal approximation of curves. The approach is applied to a number of viral capsids and it is shown that detailed features of the capsid surface can indeed be satisfactorily described by icosahedral tilings. This work complements previous studies in which the geometry of the capsid is described by point sets generated as orbits of extensions of the icosahedral group, as such point sets are by construction related to the vertex sets of icosahedral tilings. The approximations of virus geometry derived here can serve as coarse-grained models of viral capsids as a basis for the study of virus assembly and structural transitions of viral capsids, and also provide a new perspective on the design of protein containers for nanotechnology applications. PMID:26131897

  9. Form, symmetry and packing of biomacromolecules. V. Shells with boundaries at anti-nodes of resonant vibrations in icosahedral RNA viruses.

    PubMed

    Janner, A

    2011-11-01

    The RNA viruses cowpea chlorotic mottle, satellite tobacco mosaic, pariacoto and MS2, already considered in part IV of this series of papers [Janner, A. (2011a), Acta Cryst. A67, 517-520], are investigated further, with the aim to arrive at a possible physical basis for their structural properties. The shell structure of the filled capsid is analyzed in terms of successive spherical boundaries of the sets of icosahedral equivalent chains. By inversion in the sphere enclosing the capsid, the internal boundaries are transformed into external ones, which are more easily visualized. This graphical procedure reveals the presence of regularly spaced shells with boundaries fitting with anti-nodal surfaces of the virus considered as an elastic resonator. The centers of gravity of the various chains occur in the nodal regions of eigenvibrations with wavelength λ = R(0)/K(0), where R(0) is the radius of the virus and K(0) takes one of the values 12, 6, 4, 3, depending on the mode. The resonator model is consistent with practically all spherical shell boundaries, whereas deviations are observed for the icosahedral axial modes, which apparently play a secondary role with respect to the spherical ones. Both the spherical and the axial anti-nodal surfaces fit very well with the packed structure of the viruses in the crystal which, accordingly, is expected to have eigenfrequencies related to those of the virus. These results open the way to a better understanding of the possibility of breaking the capsid using resonant forced oscillations excited, for example, by an applied elastic shock or by irradiation with femtosecond laser pulses, as already realised by K.-T. Tsen and co-workers. An alternative `plywood' model connected to the extreme elastic properties of the capsid is also considered. PMID:22011468

  10. Computer Simulated Growth of Icosahedral Glass

    NASA Astrophysics Data System (ADS)

    Leino, Y. A. J.; Salomaa, M. M.

    1990-01-01

    One possible model for materials displaying classically forbidden symmetry properties (apart from perfect quasicrystals) is the icosahedral glass model. We simulate the random growth of two types of two-dimensional icosahedral glasses consisting of the Penrose tiles, First we restrict the growth with the arrow rules, then we let the structure develop totally freely. The diffraction patterns have a clear five-fold symmetry in both cases. The diffraction peak intensities do not differ, but shapes of the central peaks vary depending on whether the arrow rules are imposed or not. Finally, we show that the half-width of the central peak decreases when the size of the simulation increases until a finite disorder-limited value is achieved. This phenomenon is in agreement with the behaviour of physical quasicrystallites and in contradiction with perfect mathematical quasicrystals which have Bragg peaks of zero width.

  11. 3-dimensional indexation of the icosahedral diffraction pattern using the techniques of electron microscopy

    NASA Astrophysics Data System (ADS)

    Bourdillon, Antony

    2012-11-01

    The following facts about icosahedra need wider attention. 1) The golden section τ is as fundamental to the icosahedral structure (length /edge) as π is to the sphere (circumference /diameter). 2) The diffraction series are in restricted Fibonacci order because the ratio of adjacent terms fn/fn-1 does not vary, but is the constant τ. The series is therefore geometric. 3) Because of the tetragonal subgroup in the icosahedral point group symmetry, many axes in the icosahedral structure have identical orientation to axes in the face centered cubic matrix of Al6Mn [1] (e.g. [100] and [111]). On these bases, a three dimensional stereographic projection will be presented. 4) A quasi-Bragg law is derived that correctly represents the diffraction series in powers of τ [2]. Furthermore, by employing the normal conventions of electron microscopy, all diffraction patterns are completely indexed in three dimensions. These are the topic of this presentation. Significant consequences will be presented elsewhere: 1) The diffraction pattern intensities near all main axes are correctly simulated, and all atoms are located on a specimen image. 2) The quasi-Bragg law has a special metric. Atomic locations are consistently calculated for the first time. 3) Whereas the Bragg law transforms a crystal lattice in real space into a reciprocal lattice in diffraction space, the quasi-Bragg law transforms a geometric diffraction pattern into a hierarchic structure. 4) Hyperspatial indexation [3] is superceded. [1] Shechtman, D.; Blech, I.; Gratias, D.; Cahn, J.W., Metallic phase with long-range orientational order and no translational symmetry, Phys. Rev. Lett., 1984, 53, 1951-3. [2] Bourdillon, A. J., Nearly free electron band structures in a logarithmically periodic solid, Sol. State Comm. 2009, 149, 1221-1225. [3] Duneau, M., and Katz, A., Phys Rev Lett 54, 2688-2691

  12. About the atomic structures of icosahedral quasicrystals

    NASA Astrophysics Data System (ADS)

    Quiquandon, Marianne; Gratias, Denis

    2014-01-01

    This paper is a survey of the crystallographic methods that have been developed these last twenty five years to decipher the atomic structures of the icosahedral stable quasicrystals since their discovery in 1982 by D. Shechtman. After a brief recall of the notion of quasiperiodicity and the natural description of Z-modules in 3-dim as projection of regular lattices in N>3-dim spaces, we give the basic geometrical ingredients useful to describe icosahedral quasicrystals as irrational 3-dim cuts of ordinary crystals in 6-dim space. Atoms are described by atomic surfaces (ASs) that are bounded volumes in the internal (or perpendicular) 3-dim space and the intersections of which with the physical space are the actual atomic positions. The main part of the paper is devoted to finding the major properties of quasicrystalline icosahedral structures. As experimentally demonstrated, they can be described with a surprisingly few high symmetry ASs located at high symmetry special points in 6-dim space. The atomic structures are best described by aggregations and intersections of high symmetry compact interpenetrating atomic clusters. We show here that the experimentally relevant clusters are derived from one generic cluster made of two concentric triacontahedra scaled by τ and an external icosidodecahedron. Depending on which ones of the orbits of this cluster are eventually occupied by atoms, the actual atomic clusters are of type Bergman, Mackay, Tsai and others….

  13. Classification of point-group-symmetric orientational ordering tensors.

    PubMed

    Nissinen, Jaakko; Liu, Ke; Slager, Robert-Jan; Wu, Kai; Zaanen, Jan

    2016-08-01

    The concept of symmetry breaking has been a propelling force in understanding phases of matter. While rotational-symmetry breaking is one of the most prevalent examples, the rich landscape of orientational orders breaking the rotational symmetries of isotropic space, i.e., O(3), to a three-dimensional point group remain largely unexplored, apart from simple examples such as ferromagnetic or uniaxial nematic ordering. Here we provide an explicit construction, utilizing a recently introduced gauge-theoretical framework, to address the three-dimensional point-group-symmetric orientational orders on a general footing. This unified approach allows us to enlist order parameter tensors for all three-dimensional point groups. By construction, these tensor order parameters are the minimal set of simplest tensors allowed by the symmetries that uniquely characterize the orientational order. We explicitly give these for the point groups {C_{n},D_{n},T,O,I}⊂SO(3) and {C_{nv},S_{2n},C_{nh},D_{nh},D_{nd},T_{h},T_{d},O_{h},I_{h}}⊂O(3) for n,2n∈{1,2,3,4,6,∞}. This central result may be perceived as a road map for identifying exotic orientational orders that may become more and more in reach in view of rapid experimental progress in, e.g., nanocolloidal systems and novel magnets. PMID:27627370

  14. Classification of point-group-symmetric orientational ordering tensors

    NASA Astrophysics Data System (ADS)

    Nissinen, Jaakko; Liu, Ke; Slager, Robert-Jan; Wu, Kai; Zaanen, Jan

    2016-08-01

    The concept of symmetry breaking has been a propelling force in understanding phases of matter. While rotational-symmetry breaking is one of the most prevalent examples, the rich landscape of orientational orders breaking the rotational symmetries of isotropic space, i.e., O(3), to a three-dimensional point group remain largely unexplored, apart from simple examples such as ferromagnetic or uniaxial nematic ordering. Here we provide an explicit construction, utilizing a recently introduced gauge-theoretical framework, to address the three-dimensional point-group-symmetric orientational orders on a general footing. This unified approach allows us to enlist order parameter tensors for all three-dimensional point groups. By construction, these tensor order parameters are the minimal set of simplest tensors allowed by the symmetries that uniquely characterize the orientational order. We explicitly give these for the point groups {Cn,Dn,T ,O ,I } ⊂SO(3 ) and {Cn v,S2 n,Cn h,Dn h,Dn d,Th,Td,Oh,Ih} ⊂O(3 ) for n ,2 n ∈{1 ,2 ,3 ,4 ,6 ,∞ } . This central result may be perceived as a road map for identifying exotic orientational orders that may become more and more in reach in view of rapid experimental progress in, e.g., nanocolloidal systems and novel magnets.

  15. Bulk topological invariants in noninteracting point group symmetric insulators

    NASA Astrophysics Data System (ADS)

    Fang, Chen; Gilbert, Matthew J.; Bernevig, B. Andrei

    2012-09-01

    We survey various quantized bulk physical observables in two- and three-dimensional topological band insulators invariant under translational symmetry and crystallographic point group symmetries (PGS). In two-dimensional insulators, we show that (i) the Chern number of a Cn-invariant insulator can be determined, up to a multiple of n, by evaluating the eigenvalues of symmetry operators at high-symmetry points in the Brillouin zone; (ii) the Chern number of a Cn-invariant insulator is also determined, up to a multiple of n, by the Cn eigenvalue of the Slater determinant of a noninteracting many-body system; and (iii) the Chern number vanishes in insulators with dihedral point groups Dn, and the quantized electric polarization is a topological invariant for these insulators. In three-dimensional insulators, we show that (i) only insulators with point groups Cn, Cnh, and Sn PGS can have nonzero 3D quantum Hall coefficient and (ii) only insulators with improper rotation symmetries can have quantized magnetoelectric polarization P3 in the term P3E·B, the axion term in the electrodynamics of the insulator (medium).

  16. A crystallographic approach to structural transitions in icosahedral viruses.

    PubMed

    Indelicato, Giuliana; Cermelli, Paolo; Salthouse, David G; Racca, Simone; Zanzotto, Giovanni; Twarock, Reidun

    2012-04-01

    Viruses with icosahedral capsids, which form the largest class of all viruses and contain a number of important human pathogens, can be modelled via suitable icosahedrally invariant finite subsets of icosahedral 3D quasicrystals. We combine concepts from the theory of 3D quasicrystals, and from the theory of structural phase transformations in crystalline solids, to give a framework for the study of the structural transitions occurring in icosahedral viral capsids during maturation or infection. As 3D quasicrystals are in a one-to-one correspondence with suitable subsets of 6D icosahedral Bravais lattices, we study systematically the 6D-analogs of the classical Bain deformations in 3D, characterized by minimal symmetry loss at intermediate configurations, and use this information to infer putative viral-capsid transition paths in 3D via the cut-and-project method used for the construction of quasicrystals. We apply our approach to the Cowpea Chlorotic Mottle virus (CCMV) and show that the putative transition path between the experimentally observed initial and final CCMV structures is most likely to preserve one threefold axis. Our procedure suggests a general method for the investigation and prediction of symmetry constraints on the capsids of icosahedral viruses during structural transitions, and thus provides insights into the mechanisms underlying structural transitions of these pathogens. PMID:21611828

  17. A fitting program for molecules with two equivalent methyl tops and C2v point-group symmetry at equilibrium: Application to existing microwave, millimeter, and sub-millimeter wave measurements of acetone

    NASA Astrophysics Data System (ADS)

    Ilyushin, Vadim V.; Hougen, Jon. T.

    2013-07-01

    A program, called PAM_C2v_2tops, for fitting the high-resolution torsion-rotation spectra of molecules with two equivalent methyl rotors and C2v symmetry at equilibrium is described and applied to the spectrum of acetone [(CH3)2CO]. The G36 permutation-inversion group-theoretical considerations used in the design of the program are presented followed by a description of the structure of the program, which uses the principal axis method and a two-step diagonalization procedure. The program was used to carry out a weighted least-squares fit of 1720 microwave, millimeter-wave, and sub-millimeter-wave line frequencies of acetone that are available in the literature. The weighted standard deviation of 0.94 obtained here for a joint fit of rotational lines belonging to the ground, the lower torsional fundamental, and the higher torsional fundamental states of acetone represents significant progress in comparison with previous fitting attempts, especially for the excited torsional states.

  18. Prediction of stability changes upon mutation in an icosahedral capsid.

    PubMed

    Hickman, Samuel J; Ross, James F; Paci, Emanuele

    2015-09-01

    Identifying the contributions to thermodynamic stability of capsids is of fundamental and practical importance. Here we use simulation to assess how mutations affect the stability of lumazine synthase from the hyperthermophile Aquifex aeolicus, a T = 1 icosahedral capsid; in the simulations the icosahedral symmetry of the capsid is preserved by simulating a single pentamer and imposing crystal symmetry, in effect simulating an infinite cubic lattice of icosahedral capsids. The stability is assessed by estimating the free energy of association using an empirical method previously proposed to identify biological units in crystal structures. We investigate the effect on capsid formation of seven mutations, for which it has been experimentally assessed whether they disrupt capsid formation or not. With one exception, our approach predicts the effect of the mutations on the capsid stability. The method allows the identification of interaction networks, which drive capsid assembly, and highlights the plasticity of the interfaces between subunits in the capsid. PMID:26178267

  19. Symmetry of Magnetically Ordered Quasicrystals

    NASA Astrophysics Data System (ADS)

    Lifshitz, Ron

    1998-03-01

    The notion of magnetic symmetry is reexamined in light of the recent observation of long-range magnetic order in icosahedral quasicrystals [Charrier et al., Phys. Rev. Lett. 78, 4637 (1997)]. The relation between the symmetry of a magnetically ordered (periodic or quasiperiodic) crystal, given in terms of a ``spin space group,'' and its neutron diffraction diagram is established. In doing so, an outline of a symmetry classification scheme for magnetically ordered quasiperiodic crystals, is provided. Predictions are given for the expected diffraction patterns of magnetically ordered icosahedral crystals, provided their symmetry is well described by icosahedral spin space groups.

  20. Entropy-driven formation of large icosahedral colloidal clusters by spherical confinement

    NASA Astrophysics Data System (ADS)

    de Nijs, Bart; Dussi, Simone; Smallenburg, Frank; Meeldijk, Johannes D.; Groenendijk, Dirk J.; Filion, Laura; Imhof, Arnout; van Blaaderen, Alfons; Dijkstra, Marjolein

    2015-01-01

    Icosahedral symmetry, which is not compatible with truly long-range order, can be found in many systems, such as liquids, glasses, atomic clusters, quasicrystals and virus-capsids. To obtain arrangements with a high degree of icosahedral order from tens of particles or more, interparticle attractive interactions are considered to be essential. Here, we report that entropy and spherical confinement suffice for the formation of icosahedral clusters consisting of up to 100,000 particles. Specifically, by using real-space measurements on nanometre- and micrometre-sized colloids, as well as computer simulations, we show that tens of thousands of hard spheres compressed under spherical confinement spontaneously crystallize into icosahedral clusters that are entropically favoured over the bulk face-centred cubic crystal structure. Our findings provide insights into the interplay between confinement and crystallization and into how these are connected to the formation of icosahedral structures.

  1. Cubic Icosahedra? A Problem in Assigning Symmetry

    ERIC Educational Resources Information Center

    Lloyd, D. R.

    2010-01-01

    There is a standard convention that the icosahedral groups are classified separately from the cubic groups, but these two symmetry types have been conflated as "cubic" in some chemistry textbooks. In this note, the connection between cubic and icosahedral symmetries is examined, using a simple pictorial model. It is shown that octahedral and…

  2. A group theoretical approach to structural transitions of icosahedral quasicrystals and point arrays

    NASA Astrophysics Data System (ADS)

    Zappa, Emilio; Dykeman, Eric C.; Geraets, James A.; Twarock, Reidun

    2016-04-01

    In this paper we describe a group theoretical approach to the study of structural transitions of icosahedral quasicrystals and point arrays. We apply the concept of Schur rotations, originally proposed by Kramer, to the case of aperiodic structures with icosahedral symmetry; these rotations induce a rotation of the physical and orthogonal spaces invariant under the icosahedral group, and hence, via the cut-and-project method, a continuous transformation of the corresponding model sets. We prove that this approach allows for a characterisation of such transitions in a purely group theoretical framework, and provide explicit computations and specific examples. Moreover, we prove that this approach can be used in the case of finite point sets with icosahedral symmetry, which have a wide range of applications in carbon chemistry (fullerenes) and biology (viral capsids).

  3. Mechanical properties of icosahedral virus capsids

    NASA Astrophysics Data System (ADS)

    Vliegenthart, G. A.; Gompper, G.

    2007-12-01

    Virus capsids are self-assembled protein shells in the size range of 10 to 100 nanometers. The shells of DNA-viruses have to sustain large internal pressures while encapsulating and protecting the viral DNA. We employ computer simulations to study the mechanical properties of crystalline shells with icosahedral symmetry that serve as a model for virus capsids. The shells are positioned on a substrate and deformed by a uni-axial force excerted by a small bead. We predict the elastic response for small deformations, and the buckling transitions at large deformations. Both are found to depend strongly on the number N of elementary building blocks (capsomers), and the Föppl-von Kármán number γ which characterizes the relative importance of shear and bending elasticity.

  4. Structures of giant icosahedral eukaryotic dsDNA viruses

    PubMed Central

    Xiao, Chuan; Rossmann, Michael G.

    2011-01-01

    In the last twenty years, numerous giant, dsDNA, icosahedral viruses have been discovered and assigned to the nucleocytoplasmic large dsDNA virus (NCLDV) clade. The major capsid proteins of these viruses consist of two consecutive jelly-roll domains, assembled into trimers, with pseudo 6-fold symmetry. The capsomers are assembled into arrays that have either p6 (as in Paramecium bursaria Chlorella virus-1) or p3 symmetry (as in Mimivirus). Most of the NCLDV viruses have a membrane that separates the nucleocapsid from the external capsid. PMID:21909343

  5. Prediction of stability changes upon mutation in an icosahedral capsid

    PubMed Central

    Hickman, Samuel J.

    2015-01-01

    ABSTRACT Identifying the contributions to thermodynamic stability of capsids is of fundamental and practical importance. Here we use simulation to assess how mutations affect the stability of lumazine synthase from the hyperthermophile Aquifex aeolicus, a T = 1 icosahedral capsid; in the simulations the icosahedral symmetry of the capsid is preserved by simulating a single pentamer and imposing crystal symmetry, in effect simulating an infinite cubic lattice of icosahedral capsids. The stability is assessed by estimating the free energy of association using an empirical method previously proposed to identify biological units in crystal structures. We investigate the effect on capsid formation of seven mutations, for which it has been experimentally assessed whether they disrupt capsid formation or not. With one exception, our approach predicts the effect of the mutations on the capsid stability. The method allows the identification of interaction networks, which drive capsid assembly, and highlights the plasticity of the interfaces between subunits in the capsid. Proteins 2015; 83:1733–1741. © 2015 The Authors. Proteins: Structure, Function, and Bioinformatics Published by Wiley Periodicals, Inc PMID:26178267

  6. The Energetics and Symmetry of Quasicrystals.

    NASA Astrophysics Data System (ADS)

    Narasimhan, Subha

    In a dramatic experiment in 1984, Shechtman and co-workers observed electron diffraction patterns in rapidly cooled Al-Mn alloys, exhibiting non-crystallographic symmetry, contrary to the conventional wisdom that solid structures could be broadly classified as glassy or amorphous, and crystalline. This and subsequent experiments have spurred an intense effort by the condensed matter physics community into understanding the nature and origin of solid structures, particularly in the light of earlier abstract mathematical structures ("tilings"), invented by Penrose and others, that are space filling but non-periodic and non-random in nature. This dissertation aims at understanding the energetics and symmetry of these "quasi-crystalline" structures. It consists of two parts. In the first part, the energetics of various observed quasi-crystalline phases have been studied by using a type of phenomenological Ginzburg-Landau theory that has been successful in predicting the qualitative features of a wide variety of phase transitions. It is found that qualitative agreement with experiment can indeed be had regarding the relative stability of these phases. The model also predicts the most likely equilibrium structure in various regimes of parameter space. The second part is focussed towards understanding the symmetries of the density function of these phases, the symmetry of the hydrodynamic degrees of freedom, the structure of the reciprocal lattice and so on. The harmonic elastic energy, invariant under the point group of the diffraction pattern is constructed for each of the observed phases. Finally, a formalism is developed for determining the various reciprocal lattices possible with a given arbitrary point group symmetry. It is then applied to the cases of 2D Pentagonal and 3D Icosahedral structures.

  7. Platonic solids back in the sky: icosahedral inflation

    NASA Astrophysics Data System (ADS)

    Kang, Jonghee; Nicolis, Alberto

    2016-03-01

    We generalize the model of solid inflation to an anisotropic cosmic solid. Barring fine tunings, the observed isotropy of the cosmological background and of the scalar two-point function isolate the icosahedral group as the only possible symmetry group of such a solid. In such a case, higher-point correlation functions—starting with the three-point one—are naturally maximally anisotropic, which makes the standard detection strategies highly inefficient and calls for a dedicated analysis of CMB data. The tensor two-point function can also be highly anisotropic, but only in the presence of sizable higher-derivative couplings.

  8. Group theory of icosahedral virus capsid vibrations: a top-down approach.

    PubMed

    Peeters, Kasper; Taormina, Anne

    2009-02-21

    We explore the use of a top-down approach to analyse the dynamics of icosahedral virus capsids and complement the information obtained from bottom-up studies of viral vibrations available in the literature. A normal mode analysis based on protein association energies is used to study the frequency spectrum, in which we reveal a universal plateau of low-frequency modes shared by a large class of Caspar-Klug capsids. These modes break icosahedral symmetry and are potentially relevant to the genome release mechanism. We comment on the role of viral tiling theory in such dynamical considerations. PMID:19014954

  9. Point Groups Based on Methane and Adamantane (Td) Skeletons.

    ERIC Educational Resources Information Center

    Fujita, Shinsaku

    1986-01-01

    Describes a procedure for constructing point groups based on the symmetric parent molecules of methane and adamantane. Intended for use in teaching concepts such as subgroups and cosets to beginners in group theory. (TW)

  10. Radial vibrations of a sodium ion inside icosahedral C60

    NASA Technical Reports Server (NTRS)

    Ballester, J. L.; Dunlap, B. I.

    1992-01-01

    The very high symmetry of icosahedral C60 suggests that, as a first approximation, an atom trapped inside C60 would be subject to a potential that is radially symmetric about the center. All-electron local-density-functional calculations of the total energy of a sodium ion as a function of radial displacement from the center along the fivefold axis of C60 serve to refine such a radial potential. In particular, the calculations suggest studying potentials that have minima displaced from the center. An analytic functional form for a radial potential having a positive cusp at the origin is proposed, and the s-wave radial solutions of the corresponding Schroedinger equation are examined.

  11. Exploring the symmetry and mechanism of virus capsid maturation via an ensemble of pathways.

    PubMed

    May, Eric R; Feng, Jun; Brooks, Charles L

    2012-02-01

    Many icosahedral viruses undergo large-scale conformational transitions between icosahedrally symmetric conformations during their life cycles. However, whether icosahedral symmetry is maintained along the transition pathways for this process is unknown. By employing a simplified and directed structure-based potential we compute an ensemble of transition pathways for the maturation transition of bacteriophage HK97. We observe localized symmetry-breaking events, but find that the large-scale displacements are dominated by icosahedrally symmetric deformation modes. We find that all pathways obey a common mechanism characterized by formation of pentameric contacts early in the transition. PMID:22325284

  12. On the generation of point groups in spaces of various dimensions.

    PubMed

    Pokorny, A; Herzig, P; Altmann, S L

    2001-09-01

    In this paper the use of Clifford algebra in the parametrization of point groups in spaces of various dimensions is shown. Higher-dimensional spaces are of great interest especially when modulated crystals or quasicrystals are studied. While the quaternion units, which are useful to parametrize rotations in 3 dimensions, can be identified with rotations, the basic Clifford units may be regarded as mirrors from which all proper and improper symmetry operations can be generated. The practical implementation of this method of parametrization is demonstrated for the group of the hypercube in the 4-dimensional space, and generalisations to spaces of dimensions higher than 4 are suggested. PMID:11666073

  13. Point group sensitive probes of the pseudogap electronic structure in Bi2212

    NASA Astrophysics Data System (ADS)

    Hinton, J. P.; Koralek, J. D.; Orenstein, J.; Firmo, I.; Hamidian, M.; Fujita, K.; Davis, J. C.

    2011-03-01

    We combine optical transient grating spectroscopy (TGS) and spectroscopic imaging scanning tunneling microscopy (SI-STM) to study the pseudogap electronic structure in the underdoped cuprate superconductor Bi 2 Sr 2 CaCu 2 O8 + δ . In TGS a pair of 50 fs pump pulses at 800 nm coincident on the sample surface generate a sinusoidal variation in the index of refraction. This index grating is phase sensitively probed, allowing us to clearly resolve two components in the optical response below Tc. We attribute one of the components to a coherent nonlinear optical process, whose properties are sensitive to the point group symmetry of the pseudogap electronic structure. We compare the results of these optical experiments with recent analysis of SI-STM data (M. J. Lawler et al Nature 466 , 347 (2010)) which measures the amplitude of peaks at various reciprocal lattice vectors in the Fourier transform of atomically resolved images of the pseudogap electronic structure. The symmetry properties of the SI-STM Bragg amplitudes provide additional evidence relevant to the point group of the pseudogap electronic structure.

  14. Theoretical study on icosahedral water clusters

    NASA Astrophysics Data System (ADS)

    Loboda, Oleksandr; Goncharuk, Vladyslav

    2010-01-01

    Here we present a structural study of different gas hydrates using the B3LYP hybrid DFT exchange-correlation functional. A new concept for viewing the icosahedral cluster as an expansion of dodecahedral subclusters is introduced. The investigated structures consist of 280 water molecules. Structural and orientational features of various guest molecules occupying the central cavity of the clusters are established. It was found that water as the guest molecule has the highest stabilization energy in studied clusters. The conformational changes in dimer and trimer water molecules upon incorporation into hydrate cavity are discussed. The influence of second- and third-order solvent shells is illustrated on example of icosahedral water cluster derivatives.

  15. Quantum transport through single and multilayer icosahedral fullerenes

    NASA Astrophysics Data System (ADS)

    Lovey, Daniel A.; Romero, Rodolfo H.

    2013-10-01

    We use a tight-binding Hamiltonian and Green functions methods to calculate the quantum transmission through single-wall fullerenes and bilayered and trilayered onions of icosahedral symmetry attached to metallic leads. The electronic structure of the onion-like fullerenes takes into account the curvature and finite size of the fullerenes layers as well as the strength of the intershell interactions depending on to the number of interacting atom pairs belonging to adjacent shells. Misalignment of the symmetry axes of the concentric iscosahedral shells produces breaking of the level degeneracies of the individual shells, giving rise some narrow quasi-continuum bands instead of the localized discrete peaks of the individual fullerenes. As a result, the transmission function for non symmetrical onions is rapidly varying functions of the Fermi energy. Furthermore, we found that most of the features of the transmission through the onions are due to the electronic structure of the outer shell with additional Fano-like antiresonances arising from coupling with or between the inner shells.

  16. Icosahedral inclusions (carboxysomes) of Nitrobacter agilis.

    PubMed Central

    Shively, J M; Bock, E; Westphal, K; Cannon, G C

    1977-01-01

    The icosahedral bodies of Nitrobacter agilis are about 120 nm in diameter and, as viewed by electron microscopy, consist of an outer shell enclosing 10-nm particles. The inner 10-nm particle is the enzyme D-ribulose 1,5-bisphosphate carboxylase. The bodies isolated from cells incubated 1 month without nitrite had a specific activity for the enzyme of 0.54 mu mol of CO2 fixed per min per mg of protein. Images PMID:199579

  17. Three-Dimensional Icosahedral Phase Field Quasicrystal

    NASA Astrophysics Data System (ADS)

    Subramanian, P.; Archer, A. J.; Knobloch, E.; Rucklidge, A. M.

    2016-08-01

    We investigate the formation and stability of icosahedral quasicrystalline structures using a dynamic phase field crystal model. Nonlinear interactions between density waves at two length scales stabilize three-dimensional quasicrystals. We determine the phase diagram and parameter values required for the quasicrystal to be the global minimum free energy state. We demonstrate that traits that promote the formation of two-dimensional quasicrystals are extant in three dimensions, and highlight the characteristics required for three-dimensional soft matter quasicrystal formation.

  18. Isolation and Structural Characterization of a Mackay 55-Metal-Atom Two-Shell Icosahedron of Pseudo-Ih Symmetry, Pd55L12(μ3-CO)20 (L = PR3, R = Isopropyl): Comparative Analysis with Interior Two-Shell Icosahedral Geometries in Capped Three-Shell Pd145, Pt-Centered Four-Shell Pd-Pt M165, and Four-Shell Au133 Nanoclusters.

    PubMed

    Erickson, Jeremiah D; Mednikov, Evgueni G; Ivanov, Sergei A; Dahl, Lawrence F

    2016-02-10

    We present the first successful isolation and crystallographic characterization of a Mackay 55-metal-atom two-shell icosahedron, Pd55L12(μ3-CO)20 (L = PPr(i)3) (1). Its two-shell icosahedron of pseudo-Ih symmetry (without isopropyl substituents) enables a structural/bonding comparison with interior 55-metal-atom two-shell icosahedral geometries observed within the multi-shell capped 145-metal-atom three-shell Pd145(CO)72(PEt3)30 and 165-metal-atom four-shell Pt-centered (μ12-Pt)Pd164-xPtx(CO)72(PPh3)20 (x ≈ 7) nanoclusters, and within the recently reported four-shell Au133(SC6H4-p-Bu(t))52 nanocluster. DFT calculations carried out on a Pd55(CO)20(PH3)12 model analogue, with triisopropyl phosphine substituents replaced by H atoms, revealed a positive +0.84 e charge for the entire Pd55 core, with a highly positive second-shell Pd42 surface of +1.93 e. PMID:26790717

  19. Molecular symmetry with quaternions.

    PubMed

    Fritzer, H P

    2001-09-01

    A new and relatively simple version of the quaternion calculus is offered which is especially suitable for applications in molecular symmetry and structure. After introducing the real quaternion algebra and its classical matrix representation in the group SO(4) the relations with vectors in 3-space and the connection with the rotation group SO(3) through automorphism properties of the algebra are discussed. The correlation of the unit quaternions with both the Cayley-Klein and the Euler parameters through the group SU(2) is presented. Besides rotations the extension of quaternions to other important symmetry operations, reflections and the spatial inversion, is given. Finally, the power of the quaternion calculus for molecular symmetry problems is revealed by treating some examples applied to icosahedral symmetry. PMID:11666072

  20. 3D Printed Molecules and Extended Solid Models for Teaching Symmetry and Point Groups

    ERIC Educational Resources Information Center

    Scalfani, Vincent F.; Vaid, Thomas P.

    2014-01-01

    Tangible models help students and researchers visualize chemical structures in three dimensions (3D). 3D printing offers a unique and straightforward approach to fabricate plastic 3D models of molecules and extended solids. In this article, we prepared a series of digital 3D design files of molecular structures that will be useful for teaching…

  1. Confessions of an icosahedral virus crystallographer

    PubMed Central

    Johnson, John E.

    2013-01-01

    This is a personal history of my structural studies of icosahedral viruses that evolved from crystallographic studies, to hybrid methods with electron cryo-microscopy and image reconstruction (cryoEM) and then developed further by incorporating a variety of physical methods to augment the high resolution crystallographic studies. It is not meant to be comprehensive, even for my own work, but hopefully provides some perspective on the growth of our understanding of these remarkable biologic assemblies. The goal is to provide a historical perspective for those new to the field and to emphasize the limitations of any one method, even those that provide atomic resolution information about viruses. PMID:23291268

  2. 3 nj-symbols and harmonic superposition coefficients: an icosahedral abacus

    NASA Astrophysics Data System (ADS)

    Aquilanti, Vincenzo; Coletti, Cecilia

    2001-08-01

    Angular momentum recoupling coefficients of angular momentum theory and matrix elements for basis set transformation of hyperspherical harmonics enjoy properties and sum rules crucial for applications but complicated without the guidance of graphical techniques. These coefficients being related to Racah's polynomials, the graphs also apply to polynomials of the hypergeometric family, their q-analogues and their `elliptic' extensions. A useful `abacus' exploiting the connections with presentations of icosahedral and related symmetries is introduced. Particular and limiting cases, such as those of the semiclassical type, allow a unified view of properties of angular and hyperangular momentum algebra, including relationships among vector coupling coefficients and rotation matrix elements.

  3. Method of making an icosahedral boride structure

    DOEpatents

    Hersee, Stephen D.; Wang, Ronghua; Zubia, David; Aselage, Terrance L.; Emin, David

    2005-01-11

    A method for fabricating thin films of an icosahedral boride on a silicon carbide (SiC) substrate is provided. Preferably the icosahedral boride layer is comprised of either boron phosphide (B.sub.12 P.sub.2) or boron arsenide (B.sub.12 As.sub.2). The provided method achieves improved film crystallinity and lowered impurity concentrations. In one aspect, an epitaxially grown layer of B.sub.12 P.sub.2 with a base layer or substrate of SiC is provided. In another aspect, an epitaxially grown layer of B.sub.12 As.sub.2 with a base layer or substrate of SiC is provided. In yet another aspect, thin films of B.sub.12 P.sub.2 or B.sub.12 As.sub.2 are formed on SiC using CVD or other vapor deposition means. If CVD techniques are employed, preferably the deposition temperature is above 1050.degree. C., more preferably in the range of 1100.degree. C. to 1400.degree. C., and still more preferably approximately 1150.degree. C.

  4. Local growth of icosahedral quasicrystalline tilings

    NASA Astrophysics Data System (ADS)

    Hann, Connor T.; Socolar, Joshua E. S.; Steinhardt, Paul J.

    2016-07-01

    Icosahedral quasicrystals (IQCs) with extremely high degrees of translational order have been produced in the laboratory and found in naturally occurring minerals, yet questions remain about how IQCs form. In particular, the fundamental question of how locally determined additions to a growing cluster can lead to the intricate long-range correlations in IQCs remains open. In answer to this question, we have developed an algorithm that is capable of producing a perfectly ordered IQC yet relies exclusively on local rules for sequential, face-to-face addition of tiles to a cluster. When the algorithm is seeded with a special type of cluster containing a defect, we find that growth is forced to infinity with high probability and that the resultant IQC has a vanishing density of defects. The geometric features underlying this algorithm can inform analyses of experimental systems and numerical models that generate highly ordered quasicrystals.

  5. A pseudo-icosahedral cage {Gd12} based on aminomethylphosphonate.

    PubMed

    Zhang, Ze-Min; Zangana, Karzan H; Kostopoulos, Andreas K; Tong, Ming-Liang; Winpenny, Richard E P

    2016-05-31

    Reaction of (aminomethyl)phosphonic acid (ampH2) with a mixture of gadolinium and cobalt pivalates under solvothermal conditions, led to a pseudo-icosahedral cage {Gd12}, which shows a large magnetocaloric effect (MCE). PMID:27188600

  6. Polyhedra with noncrystallographic symmetry as the orbits of crystallographic point symmetry groups

    NASA Astrophysics Data System (ADS)

    Ovsetsina, T. I.; Chuprunov, E. V.

    2015-11-01

    Polyhedra with noncrystallographic symmetry are analyzed as the orbits of crystallographic point symmetry groups on a set of smooth or structured ("hatched") planes. Polyhedra with symmetrically equivalent faces, obtained using crystallographic point groups but having noncrystallographic symmetry, and polyhedra, the symmetry group T of which is crystallographic but can be implemented only on the assumption of a noncrystallographic character of the internal structure of polyhedron, are studied. The results of the analysis for all 32 point symmetry groups are listed in table.

  7. Symbolic computation engines and molecular modeling templates: Maple-assisted point group analysis of the vibrational activity of molecules

    NASA Astrophysics Data System (ADS)

    Vail, Benjamin; Aris, Damian; Scarlete, Mihai

    The present study proposes an algorithm for point-group analysis (PGA) of the vibrational activity of molecules, adapted for the efficient utilization of the linear packages incorporated into currently available symbolic computation engines (SCE), such as Maple, Mathcad, or Mathematica. By the creation of this algorithm, we have addressed the need for a numerically friendly environment, outside the "locked" procedures within molecular modeling packages, which will preserve its flexibility, transparency, and maneuverability, regardless of the complexity of the calculation. The format of the character tables of the point groups significant to chemical species has been adapted to ensure automatic numerization, and consistent input of the alphanumeric data from the existent character tables into the SCE templates designed to perform the PGA. The two proposed templates address two complementary objectives: (i) a totally transparent and interactive file has been designed to allow access to all intermediate results at all levels of the procedure for easy implementation of potential additional modules of special interest 1-5, and (ii) for fast output and routine calculations of the IR/Raman vibrational activity of molecules based on their point groups, a totally automatic file with a highly simplified input interface has been designed. The numerical interface conveniently replaces the usual graphic user interface that is common to most commercial molecular modeling software packages, requiring minimum input determination. The structure for both templates is based on the use of the digitized forms for the character tables, for the symmetry operations, and for symmetry elements, all saved in dedicated libraries uploaded to the numerical database of the SCE.

  8. Icosahedral Gold Cage Clusters: M@Au₁₂⁻ (M = V, Nb, and Ta)

    SciTech Connect

    Zhai, Hua JIN.; Li, Jun; Wang, Lai S.

    2004-11-01

    We report the observation and characterization of a series of stable bimetallic 18-valence-electron clusters containing a highly symmetric 12-atom icosahedral Au cage with an encapsulated central heteroatom of group VB transition metals, M-Au??? (M = V, Nb, Ta). Electronic and structural properties of these clusters were probed by anion photoelectron spectroscopy and theoretical calculations. Characteristics of the M-Au??? species include their remarkably high binding energies and relatively simple spectral features, which reflect their high symmetry and stability. The adiabatic electronic binding energies of M-Au??? were measured to be 3.70 ? 0.03, 3.77 ? 0.03, and 3.76 ? 0.03 eV for M = V, Nb, and Ta, respectively. Comparison of density functional calculations with experimental data established the highly symmetric icosahedral structures for the 18-electron cluster anions, which may be promising building blocks for cluster-assembled nanomaterials in the form of stoichiometric [M-Au???]X? salts.

  9. The RNA of turnip yellow mosaic virus exhibits icosahedral order

    SciTech Connect

    Larson, Steven B.; Lucas, Robert W.; Greenwood, Aaron; McPherson, Alexander . E-mail: amcphers@uci.edu

    2005-04-10

    Difference electron density maps, based on structure factor amplitudes and experimental phases from crystals of wild-type turnip yellow mosaic virus and those of empty capsids prepared by freeze-thawing, show a large portion of the encapsidated RNA to have an icosahedral distribution. Four unique segments of base-paired, double-helical RNA, one to two turns in length, lie between 33-A and 101-A radius and are organized about either 2-fold or 5-fold icosahedral axes. In addition, single-stranded loops of RNA invade the pentameric and hexameric capsomeres where they contact the interior capsid surface. The remaining RNA, not seen in electron density maps, must serve as connecting links between these secondary structural elements and is likely icosahedrally disordered. The distribution of RNA observed crystallographically appears to be in agreement with models based on biochemical data and secondary structural analyses.

  10. Structure, Chirality, and Formation of Giant Icosahedral Fullerenes and Spherical Graphitic Onions

    SciTech Connect

    Terrones, Mauricio; Terrones, Guillermo ); Terrones, Humberto

    2001-12-01

    We describe the topology, structure, and stability of giant fullerenes exhibiting various symmetries (I, Ih, D2h, T). Our results demonstrate that it is also possible to create two new families of nested-chiral-icosahedral (I) fullerenes namely C260@ C560@ C980@ C1520@..and C140@ C380@ C740@ C1220@..., which exhibit interlayer separations of ca. 3.4. These chiral fullerenes are thought to possess non semiconducting properties. Finally, we study in detail the transformation of polyhedral graphitic particles into quasi-spherical nested giant fullerenes by reorganization of carbon atoms which result in the formation of additional pentagonal and heptagonal carbon rings. These spherical structures are metastable and we believe they could be formed if conditions during formation are extreme such as high energy electron irradiation. There is circumstantial experimental evidence for the presence of heptagonal rings within these spherical fullerenes.

  11. Symmetry, Equivalence and Self-Assembly

    NASA Astrophysics Data System (ADS)

    Douglas, Jack

    2006-03-01

    Molecular self-assembly at equilibrium is central to the formation of many biological structures and the emulation of this process through the creation of synthetic counterparts offers great promise for nanofabrication. The central problems in this field are an understanding of how the symmetry of the interacting particles encodes the geometrical structure of the organized structure and the nature of the thermodynamic transitions involved. Our approach is inspired by the self-assembly of actin, tubulin and icosahedral structures of plant and animal viruses. We observe chain, membrane,`nanotube' and hollow icosahedron structures using `equivalent' particles exhibiting an interplay between directional (dipolar and multi-polar) interactions and short-range (van der Waals) interactions. Specifically, a dipolar potential (continuous rotational symmetry) gives rise to chain formation, while potentials having discrete rotational symmetries (e.g., square quadrupole or triangular ring of dipoles) led to the self-organization of nanotube and icosahedral structures with some resemblance to tubulin and icosahedral viruses. The simulations are compared to theoretical models of molecular self-assembly, especially in the case of dipolar fluids where the corresponding analytic theory of equilibrium polymerization is well developed. These computations give insights into the design elements required for the development of synthetic systems exhibiting this type of organization.

  12. Coherent coexistence of nanodiamonds and carbon onions in icosahedral core-shell particles

    SciTech Connect

    Shevchenko, Vladimir Ya. Madison, Alexey E.; Mackay, Alan L.

    2007-03-01

    In icosahedral carbon nanoparticles, the diamond-like core can undergo a reversible topological transition into and coexist coherently with the onion shells. The general approach for describing and designing complex hierarchical icosahedral structures is discussed. Structural models of icosahedral carbon nanoparticles in which the local arrangement of atoms is virtually identical to that in diamond are derived. It is shown that icosahedral diamond-like particles can be transformed into onion-like shell structures (and vice versa) by the consecutive smoothing (puckering) of atomic networks without disturbance of their topological integrity. The possibility of coherent coexistence of icosahedral diamond-like core with onion shells is shown.

  13. Protruding Features of Viral Capsids Are Clustered on Icosahedral Great Circles

    PubMed Central

    Wilson, David P.

    2016-01-01

    Spherical viruses are remarkably well characterized by the Triangulation (T) number developed by Casper and Klug. The T-number specifies how many viral capsid proteins are required to cover the virus, as well as how they are further subdivided into pentamer and hexamer subunits. The T-number however does not constrain the orientations of these proteins within the subunits or dictate where the proteins should place their protruding features. These protrusions often take the form of loops, spires and helices, and are significant because they aid in stability of the capsid as well as recognition by the host organism. Until now there has be no overall understanding of the placement of protrusions for spherical viruses, other than they have icosahedral symmetry. We constructed a set of gauge points based upon the work affine extensions of Keef and Twarock, which have fixed relative angular locations with which to measure the locations of these features. This work adds a new element to our understanding of the geometric arrangement of spherical viral capsid proteins; chiefly that the locations of protruding features are not found stochastically distributed in an icosahedral manner across the viral surface, but instead these features are found only in specific locations along the 15 icosahedral great circles. We have found that this result holds true as the T number and viral capsids size increases, suggesting an underlying geometric constraint on their locations. This is in spite of the fact that the constraints on the pentamers and hexamer orientations change as a function of T-number, as you need to accommodate more hexamers in the same solid angle between pentamers. The existence of this angular constraint of viral capsids suggests that there is a fitness or energetic benefit to the virus placing its protrusions in this manner. This discovery may have profound impacts on identifying and eliminating viral pathogens, understanding evolutionary constraints as well as

  14. Protruding Features of Viral Capsids Are Clustered on Icosahedral Great Circles.

    PubMed

    Wilson, David P

    2016-01-01

    Spherical viruses are remarkably well characterized by the Triangulation (T) number developed by Casper and Klug. The T-number specifies how many viral capsid proteins are required to cover the virus, as well as how they are further subdivided into pentamer and hexamer subunits. The T-number however does not constrain the orientations of these proteins within the subunits or dictate where the proteins should place their protruding features. These protrusions often take the form of loops, spires and helices, and are significant because they aid in stability of the capsid as well as recognition by the host organism. Until now there has be no overall understanding of the placement of protrusions for spherical viruses, other than they have icosahedral symmetry. We constructed a set of gauge points based upon the work affine extensions of Keef and Twarock, which have fixed relative angular locations with which to measure the locations of these features. This work adds a new element to our understanding of the geometric arrangement of spherical viral capsid proteins; chiefly that the locations of protruding features are not found stochastically distributed in an icosahedral manner across the viral surface, but instead these features are found only in specific locations along the 15 icosahedral great circles. We have found that this result holds true as the T number and viral capsids size increases, suggesting an underlying geometric constraint on their locations. This is in spite of the fact that the constraints on the pentamers and hexamer orientations change as a function of T-number, as you need to accommodate more hexamers in the same solid angle between pentamers. The existence of this angular constraint of viral capsids suggests that there is a fitness or energetic benefit to the virus placing its protrusions in this manner. This discovery may have profound impacts on identifying and eliminating viral pathogens, understanding evolutionary constraints as well as

  15. Symmetry breaking in molecular ferroelectrics.

    PubMed

    Shi, Ping-Ping; Tang, Yuan-Yuan; Li, Peng-Fei; Liao, Wei-Qiang; Wang, Zhong-Xia; Ye, Qiong; Xiong, Ren-Gen

    2016-07-11

    Ferroelectrics are inseparable from symmetry breaking. Accompanying the paraelectric-to-ferroelectric phase transition, the paraelectric phase adopting one of the 32 crystallographic point groups is broken into subgroups belonging to one of the 10 ferroelectric point groups, i.e. C1, C2, C1h, C2v, C4, C4v, C3, C3v, C6 and C6v. The symmetry breaking is captured by the order parameter known as spontaneous polarization, whose switching under an external electric field results in a typical ferroelectric hysteresis loop. In addition, the responses of spontaneous polarization to other external excitations are related to a number of physical effects such as second-harmonic generation, piezoelectricity, pyroelectricity and dielectric properties. Based on these, this review summarizes recent developments in molecular ferroelectrics since 2011 and focuses on the relationship between symmetry breaking and ferroelectricity, offering ideas for exploring high-performance molecular ferroelectrics. PMID:27051889

  16. Encapsulation of a polymer by an icosahedral virus

    PubMed Central

    Elrad, Oren M.; Hagan, Michael F.

    2011-01-01

    The coat proteins of many viruses spontaneously form icosahedral capsids around nucleic acids or other polymers. Elucidating the role of the packaged polymer in capsid formation could promote biomedical efforts to block viral replication and enable use of capsids in nanomaterials applications. To this end, we perform Brownian dynamics on a coarse-grained model that describes the dynamics of icosahedral capsid assembly around a flexible polymer. We identify several mechanisms by which the polymer plays an active role in its encapsulation, including cooperative polymer-protein motions. These mechanisms are related to experimentally controllable parameters such as polymer length, protein concentration, and solution conditions. Furthermore, the simulations demonstrate that assembly mechanisms are correlated to encapsulation efficiency, and we present a phase diagram that predicts assembly outcomes as a function of experimental parameters. We anticipate that our simulation results will provide a framework for designing in vitro assembly experiments on single-stranded RNA virus capsids. PMID:21149971

  17. Forging Unsupported Metal-Boryl Bonds with Icosahedral Carboranes.

    PubMed

    Saleh, Liban M A; Dziedzic, Rafal M; Khan, Saeed I; Spokoyny, Alexander M

    2016-06-13

    In contrast to the plethora of metal-catalyzed cross-coupling methods available for the installation of functional groups on aromatic hydrocarbons, a comparable variety of methods are currently not available for icosahedral carboranes, which are boron-rich three-dimensional aromatic analogues of aryl groups. Part of this is due to the limited understanding of the elementary steps for cross-coupling involving carboranes. Here, we report our efforts in isolating metal-boryl complexes to further our understanding of one of these elementary steps, oxidative addition. Structurally characterized examples of group 10 M-B bonds featuring icosahedral carboranes are completely unknown. Use of mercurocarboranes as a reagent to deliver M-B bonds saw divergent reactivity for platinum and palladium, with a Pt-B bond being isolated for the former, and a rare Pd-Hg bond being formed for the latter. PMID:27017293

  18. Electronic transport in polycrystalline samples of icosahedral phases

    NASA Astrophysics Data System (ADS)

    Vekilov, Yu. Kh.; Chernikov, M. A.; Dolinichek, Ya.

    2016-01-01

    The low-temperature electronic transport in polycrystals of quasicrystalline phases with an icosahedral structure has been analyzed within the model of the granular electronic system. In this model, the grains (drops) of a metallic icosahedral phase are surrounded by extended defects and grain boundaries, which create an insulating environment. The electron transport in this model is determined by the size quantization of electronic states inside metallic grains, by intergranular tunneling, and by electrostatic barriers. Depending on the temperature and structural state of the system, the hopping conductivity with variable lengths of jumps in the Efros-Shklovskii or Mott regime is observed with predominantly elastic cotunneling. In the case of strong intergranular coupling, the system passes into the metallic regime with the exponential temperature dependence of the electrical conductivity.

  19. Non-Hermitian Hamiltonians with unitary and antiunitary symmetries

    SciTech Connect

    Fernández, Francisco M. Garcia, Javier

    2014-03-15

    We analyse several non-Hermitian Hamiltonians with antiunitary symmetry from the point of view of their point-group symmetry. It enables us to predict the degeneracy of the energy levels and to reduce the dimension of the matrices necessary for the diagonalization of the Hamiltonian in a given basis set. We can also classify the solutions according to the irreducible representations of the point group and thus analyse their properties separately. One of the main results of this paper is that some PT-symmetric Hamiltonians with point-group symmetry C{sub 2v} exhibit complex eigenvalues for all values of a potential parameter. In such cases the PT phase transition takes place at the trivial Hermitian limit which suggests that the phenomenon is not robust. Point-group symmetry enables us to explain such anomalous behaviour and to choose a suitable antiunitary operator for the PT symmetry. -- Highlights: •PT-symmetric Hamiltonians exhibit real eigenvalues when PT symmetry is unbroken. •PT-symmetric multidimensional oscillators appear to show PT phase transitions. •This transition was conjectured to be a high-energy phenomenon. •We show that point group symmetry is useful for predicting broken PT symmetry in multidimensional oscillators. •PT-symmetric oscillators with C{sub 2v} symmetry exhibit phase transitions at the trivial Hermitian limit.

  20. Symmetry constraints on the elastoresistivity tensor

    NASA Astrophysics Data System (ADS)

    Shapiro, M. C.; Hlobil, Patrik; Hristov, A. T.; Maharaj, Akash V.; Fisher, I. R.

    2015-12-01

    The elastoresistivity tensor mi j ,k l characterizes changes in a material's resistivity due to strain. As a fourth-rank tensor, elastoresistivity can be a uniquely useful probe of the symmetries and character of the electronic state of a solid. We present a symmetry analysis of mi j ,k l (both in the presence and absence of a magnetic field) based on the crystalline point group, focusing for pedagogic purposes on the D4 h point group (of relevance to several materials of current interest). We also discuss the relation between mi j ,k l and various thermodynamic susceptibilities, particularly where they are sensitive to critical fluctuations proximate to a critical point at which a point-group symmetry is spontaneously broken.

  1. Soft materials design via self assembly of functionalized icosahedral particles

    NASA Astrophysics Data System (ADS)

    Muthukumar, Vidyalakshmi Chockalingam

    In this work we simulate self assembly of icosahedral building blocks using a coarse grained model of the icosahedral capsid of virus 1m1c. With significant advancements in site-directed functionalization of these macromolecules [1], we propose possible application of such self-assembled materials for drug delivery. While there have been some reports on organization of viral particles in solution through functionalization, exploiting this behaviour for obtaining well-ordered stoichiometric structures has not yet been explored. Our work is in well agreement with the earlier simulation studies of icosahedral gold nanocrystals, giving chain like patterns [5] and also broadly in agreement with the wet lab works of Finn, M.G. et al., who have shown small predominantly chain-like aggregates with mannose-decorated Cowpea Mosaic Virus (CPMV) [22] and small two dimensional aggregates with oligonucleotide functionalization on the CPMV capsid [1]. To quantify the results of our Coarse Grained Molecular Dynamics Simulations I developed analysis routines in MATLAB using which we found the most preferable nearest neighbour distances (from the radial distribution function (RDF) calculations) for different lengths of the functional groups and under different implicit solvent conditions, and the most frequent coordination number for a virus particle (histogram plots further using the information from RDF). Visual inspection suggests that our results most likely span the low temperature limits explored in the works of Finn, M.G. et al., and show a good degree of agreement with the experimental results in [1] at an annealing temperature of 4°C. Our work also reveals the possibility of novel stoichiometric N-mer type aggregates which could be synthesized using these capsids with appropriate functionalization and solvent conditions.

  2. Dynamic and Kinetic Assembly Studies of an Icosahedral Virus Capsid

    NASA Astrophysics Data System (ADS)

    Lee, Kelly

    2011-03-01

    Hepatitis B virus has an icosahedrally symmetrical core particle (capsid), composed of either 90 or 120 copies of a dimeric protein building block. We are using time-resolved, solution small-angle X-ray scattering and single-molecule fluorescence microscopy to probe the core particle assembly reaction at the ensemble and individual assembly levels. Our experiments to date reveal the assembly process to be highly cooperative with minimal population of stable intermediate species. Solution conditions, particularly salt concentration, appears to influence the partitioning of assembly products into the two sizes of shells. Funding from NIH R00-GM080352 and University of Washington.

  3. Magnetism in icosahedral quasicrystals: current status and open questions

    NASA Astrophysics Data System (ADS)

    Goldman, Alan I.

    2014-08-01

    Progress in our understanding of the magnetic properties of R-containing icosahedral quasicrystals (R = rare earth element) from over 20 years of experimental effort is reviewed. This includes the much studied R-Mg-Zn and R-Mg-Cd ternary systems, as well as several magnetic quasicrystals that have been discovered and investigated more recently including Sc-Fe-Zn, R-Ag-In, Yb-Au-Al, the recently synthesized R-Cd binary quasicrystals, and their periodic approximants. In many ways, the magnetic properties among these quasicrystals are very similar. However, differences are observed that suggest new experiments and promising directions for future research.

  4. Magnetism in icosahedral quasicrystals: current status and open questions

    SciTech Connect

    Goldman, Alan I.

    2014-07-02

    Progress in our understanding of the magnetic properties of R-containing icosahedral quasicrystals (R = rare earth element) from over 20 years of experimental effort is reviewed. This includes the much studied R-Mg-Zn and R-Mg-Cd ternary systems, as well as several magnetic quasicrystals that have been discovered and investigated more recently including Sc-Fe-Zn, R-Ag-In, Yb-Au-Al, the recently synthesized R-Cd binary quasicrystals, and their periodic approximants. In many ways, the magnetic properties among these quasicrystals are very similar. However, differences are observed that suggest new experiments and promising directions for future research.

  5. Nonhydrostatic icosahedral atmospheric model (NICAM) for global cloud resolving simulations

    NASA Astrophysics Data System (ADS)

    Satoh, M.; Matsuno, T.; Tomita, H.; Miura, H.; Nasuno, T.; Iga, S.

    2008-03-01

    A new type of ultra-high resolution atmospheric global circulation model is developed. The new model is designed to perform "cloud resolving simulations" by directly calculating deep convection and meso-scale circulations, which play key roles not only in the tropical circulations but in the global circulations of the atmosphere. Since cores of deep convection have a few km in horizontal size, they have not directly been resolved by existing atmospheric general circulation models (AGCMs). In order to drastically enhance horizontal resolution, a new framework of a global atmospheric model is required; we adopted nonhydrostatic governing equations and icosahedral grids to the new model, and call it Nonhydrostatic ICosahedral Atmospheric Model (NICAM). In this article, we review governing equations and numerical techniques employed, and present the results from the unique 3.5-km mesh global experiments—with O(10 9) computational nodes—using realistic topography and land/ocean surface thermal forcing. The results show realistic behaviors of multi-scale convective systems in the tropics, which have not been captured by AGCMs. We also argue future perspective of the roles of the new model in the next generation atmospheric sciences.

  6. Unusual properties of icosahedral boron-rich solids

    SciTech Connect

    Emin, David . E-mail: emin@unm.edu

    2006-09-15

    Icosahedral boron-rich solids are materials containing boron-rich units in which atoms reside at an icosahedron's 12 vertices. These materials are known for their exceptional bonding and the unusual structures that result. This article describes how the unusual bonding generates other distinctive and useful effects. In particular, radiation-induced atomic vacancies and interstitials spontaneously recombine to produce the 'self-healing' that underlies these materials' extraordinary radiation tolerance. Furthermore, boron carbides, a group of icosahedral boron-rich solids, possess unusual electronic, magnetic and thermal properties. For example, the charge carriers, holes, localize as singlet pairs on icosahedra. The unusual origin of this localization is indicated by the absence of a concomitant photo-ionization. The thermally assisted hopping of singlet pairs between icosahedra produces Seebeck coefficients that are unexpectedly large and only weakly dependent on carrier concentration. These properties are exploited in devices: (1) long-lived high-power high-capacity beta-voltaic cells (2) very high temperature thermoelectrics and (3) solid-state neutron detectors. - Graphical abstract: Very high-resolution transmission electron microscopy shows no damage to B{sub 12}P{sub 2} after an intense bombardment (10{sup 18} electrons/cm{sup 2} s) by 400 keV electrons to a net dose of about 10{sup 23} electrons/cm{sup 2}.

  7. Exploring Metric Symmetry

    SciTech Connect

    Zwart, P.H.; Grosse-Kunstleve, R.W.; Adams, P.D.

    2006-07-31

    Relatively minor perturbations to a crystal structure can in some cases result in apparently large changes in symmetry. Changes in space group or even lattice can be induced by heavy metal or halide soaking (Dauter et al, 2001), flash freezing (Skrzypczak-Jankun et al, 1996), and Se-Met substitution (Poulsen et al, 2001). Relations between various space groups and lattices can provide insight in the underlying structural causes for the symmetry or lattice transformations. Furthermore, these relations can be useful in understanding twinning and how to efficiently solve two different but related crystal structures. Although (pseudo) symmetric properties of a certain combination of unit cell parameters and a space group are immediately obvious (such as a pseudo four-fold axis if a is approximately equal to b in an orthorhombic space group), other relations (e.g. Lehtio, et al, 2005) that are less obvious might be crucial to the understanding and detection of certain idiosyncrasies of experimental data. We have developed a set of tools that allows straightforward exploration of possible metric symmetry relations given unit cell parameters and a space group. The new iotbx.explore{_}metric{_}symmetry command produces an overview of the various relations between several possible point groups for a given lattice. Methods for finding relations between a pair of unit cells are also available. The tools described in this newsletter are part of the CCTBX libraries, which are included in the latest (versions July 2006 and up) PHENIX and CCI Apps distributions.

  8. Point group identification algorithm in dynamic response analysis of nonlinear stochastic systems

    NASA Astrophysics Data System (ADS)

    Li, Tao; Chen, Jian-bing; Li, Jie

    2016-03-01

    The point group identification (PGI) algorithm is proposed to determine the representative point sets in response analysis of nonlinear stochastic dynamic systems. The PGI algorithm is employed to identify point groups and their feature points in an initial point set by combining subspace clustering analysis and the graph theory. Further, the representative point set of the random-variate space is determined according to the minimum generalized F-discrepancy. The dynamic responses obtained by incorporating the algorithm PGI into the probability density evolution method (PDEM) are compared with those by the Monte Carlo simulation method. The investigations indicate that the proposed method can reduce the number of the representative points, lower the generalized F-discrepancy of the representative point set, and also ensure the accuracy of stochastic structural dynamic analysis.

  9. Consistent polycyclic presentation of a Bieberbach group with a nonabelian point group

    NASA Astrophysics Data System (ADS)

    Mohammad, Siti Afiqah; Sarmin, Nor Haniza; Hassim, Hazzirah Izzati Mat

    2016-02-01

    Research on the nonabelian tensor square of a group is requisite on finding the other homological functors. One of the methods to explicate the nonabelian tensor square is to ensure the presentation of the group is polycyclic and to prove its consistency. In this research, the polycyclic presentation of a Bieberbach group with the quaternion point group of order eight is shown to be consistent.

  10. VIRUS-LIKE PARTICLES WITH T=19 ICOSAHEDRAL SYMMETRY IN A HUMAN GASTROENTERITIS STOOL

    EPA Science Inventory

    Virus-like particles not previously described were observed in a human gastroenteritis stool using negative-stain TEM. The stool was among a number of acute-phase illness stools which had been collected in Egypt during 1980. The particles measured 65-70 nm in diameter, and it was...

  11. Pattern formation in icosahedral virus capsids: the papova viruses and Nudaurelia capensis beta virus.

    PubMed Central

    Marzec, C J; Day, L A

    1993-01-01

    The capsids of the spherical viruses all show underlying icosahedral symmetry, yet they differ markedly in capsomere shape and in capsomere position and orientation. The capsid patterns presented by the capsomere shapes, positions, and orientations of three viruses (papilloma, SV40, and N beta V) have been generated dynamically through a bottom-up procedure which provides a basis for understanding the patterns. A capsomere shape is represented in two-dimensional cross-section by a mass or charge density on the surface of a sphere, given by an expansion in spherical harmonics, and referred to herein as a morphological unit (MU). A capsid pattern is represented by an icosahedrally symmetrical superposition of such densities, determined by the positions and orientations of its MUs on the spherical surface. The fitness of an arrangement of MUs is measured by an interaction integral through which all capsid elements interact with each other via an arbitrary function of distance. A capsid pattern is generated by allowing the correct number of approximately shaped MUs to move dynamically on the sphere, positioning themselves until an extremum of the fitness function is attained. The resulting patterns are largely independent of the details of both the capsomere representation and the interaction function; thus the patterns produced are generic. The simplest useful fitness function is sigma 2, the average square of the mass (or charge) density, a minimum of which corresponds to a "uniformly spaced" MU distribution; to good approximation, the electrostatic free energy of charged capsomeres, calculated from the linearized Poisson-Boltzmann equation, is proportional to sigma 2. With disks as MUs, the model generates the coordinated lattices familiar from the quasi-equivalence theory, indexed by triangulation numbers. Using fivefold MUs, the model generates the patterns observed at different radii within the T = 7 capsid of papilloma and at the surface of SV40; threefold MUs

  12. The symmetry of single-molecule conduction.

    PubMed

    Solomon, Gemma C; Gagliardi, Alessio; Pecchia, Alessandro; Frauenheim, Thomas; Di Carlo, Aldo; Reimers, Jeffrey R; Hush, Noel S

    2006-11-14

    We introduce the conductance point group which defines the symmetry of single-molecule conduction within the nonequilibrium Green's function formalism. It is shown, either rigorously or to within a very good approximation, to correspond to a molecular-conductance point group defined purely in terms of the properties of the conducting molecule. This enables single-molecule conductivity to be described in terms of key qualitative chemical descriptors that are independent of the nature of the molecule-conductor interfaces. We apply this to demonstrate how symmetry controls the conduction through 1,4-benzenedithiol chemisorbed to gold electrodes as an example system, listing also the molecular-conductance point groups for a range of molecules commonly used in molecular electronics research. PMID:17115774

  13. Association of broad icosahedral Raman bands with substitutional disorder in SiB{sub 3} and boron carbide

    SciTech Connect

    Aselage, T.L.; Tallant, D.R.

    1998-02-01

    The structure of silicon boride, SiB{sub 3}, is based on 12-atom, boron-rich icosahedra in which silicon atoms substitute for some boron atoms. Raman bands associated with vibrations of icosahedral atoms in SiB{sub 3} are quite broad, reflecting this substitutional disorder. Comparing the Raman spectra of other icosahedral borides with SiB{sub 3}, only boron carbides have similarly broad icosahedral Raman bands. The direct correlation of broad icosahedral Raman bands with substitutional disorder supports the proposition that carbon atoms replace icosahedral boron atoms in boron carbides of all compositions. {copyright} {ital 1998} {ital The American Physical Society}

  14. A Convenient Route to Diversely Substituted Icosahedral Closomer Nanoscaffolds

    PubMed Central

    Jalisatgi, Satish S.; Kulkarni, Vikas S.; Tang, Betty; Houston, Zachary H.; Lee, Mark W.; Hawthorne, M. Frederick

    2011-01-01

    The design and synthesis of icosahedral polyhedral borane closomer motifs based upon carbonate and carbamate anchoring groups for biomedical applications are described. Dodecacarbamate closomers containing easily accessible groups of interest at their linker termini were synthesized via activation of the B-OH vertices as aryl carbonates and their subsequent reaction with primary amines. Novel dodecacarbonate closomers were successfully synthesized for the first time by reacting [closo-B12(OH)12]2− with an excess of respective aryl chloroformates, utilizing relatively short reaction times, mild conditions and simple purification strategies, all of which had previously presented difficulties in closomer chemistry. This methodology for the 12-fold degenerate synthesis of carbonate and carbamate closomers will greatly facilitate further exploration of closomers as monodisperse nanomolecular delivery platforms. PMID:21766843

  15. Icosahedral capsid formation by capsomers and short polyions

    NASA Astrophysics Data System (ADS)

    Zhang, Ran; Linse, Per

    2013-04-01

    Kinetical and structural aspects of the capsomer-polyion co-assembly into icosahedral viruses have been simulated by molecular dynamics using a coarse-grained model comprising cationic capsomers and short anionic polyions. Conditions were found at which the presence of polyions of a minimum length was necessary for capsomer formation. The largest yield of correctly formed capsids was obtained at which the driving force for capsid formation was relatively weak. Relatively stronger driving forces, i.e., stronger capsomer-capsomer short-range attraction and/or stronger electrostatic interaction, lead to larger fraction of kinetically trapped structures and aberrant capsids. The intermediate formation was investigated and different evolving scenarios were found by just varying the polyion length.

  16. Dynamico, an Icosahedral Dynamical Core Designed for Consistency and Versatility

    NASA Astrophysics Data System (ADS)

    Dubos, T.

    2014-12-01

    The design of the icosahedral-hexagonal dynamical core DYNAMICO is presented. DYNAMICO solves the multi-layer rotating shallow-water equations, a compressible variant of the same equivalent to a discretization of the hydrostatic primitive equations (HPE) in a Lagrangian vertical coordinate, and the HPE in a hybrid mass-based vertical coordinate. In line with more general lines of thought known as physics-preserving discretizations and discrete differential geometry, kinematics and dynamics are separated as strictly as possible. This separation means that the transport of mass, scalars and potential temperature uses no information regarding the specific momentum equation being solved. This disregarded information includes the equation of state as well as any metric information, and is used only for certain terms of the momentum budget, written in Hamiltonian, vector-invariant form. The common Hamiltonian structure of the various equations of motion (Tort and Dubos, 2014 ; Dubos and Tort, 2014) is exploited to formulate energy-conserving spatial discretizations in a unified way. Furthermore most of the model code is common to the three sets of equations solved, making it easier to develop and validate each piece of the model separately. This design permits to consider several extensions in the near future, especially to deep-atmosphere, moist and non-hydrostatic equations. Representative academic three-dimensional benchmarks are run and analyzed, showing correctness of the model (Figure : time-zonal statistics from Held and Suarez (1994) simulations). Hopefully preliminary full-physics results will be presented as well. References : T. Dubos and M. Tort, "Equations of atmospheric motion in non-Eulerian vertical coordinates : vector-invariant form and Hamiltonian formulation", accepted by Mon. Wea. Rev. M. Tort and T. Dubos, "Usual approximations to the equations of atmospheric motion : a variational perspective" accepted by J. Atmos. Sci T. Dubos et al., "DYNAMICO

  17. Point-group sensitive orientation mapping of non-centrosymmetric crystals

    SciTech Connect

    Winkelmann, Aimo; Nolze, Gert

    2015-02-16

    We demonstrate polarity-sensitive orientation mapping of non-centrosymmetric phases by Electron Backscatter Diffraction (EBSD). The method overcomes the restrictions of kinematic orientation determination by EBSD, which is limited to the centro-symmetric Laue-groups according to Friedel's rule. Using polycrystalline GaP as an example, we apply a quantitative pattern matching approach based on simulations using the dynamical theory of electron diffraction. This procedure results in a distinct assignment of the local orientation according to the non-centrosymmetric point group of the crystal structure under investigation.

  18. Archaeal Haloarcula californiae Icosahedral Virus 1 Highlights Conserved Elements in Icosahedral Membrane-Containing DNA Viruses from Extreme Environments

    PubMed Central

    Demina, Tatiana A.; Pietilä, Maija K.; Svirskaitė, Julija; Ravantti, Janne J.; Atanasova, Nina S.; Bamford, Dennis H.

    2016-01-01

    ABSTRACT Despite their high genomic diversity, all known viruses are structurally constrained to a limited number of virion morphotypes. One morphotype of viruses infecting bacteria, archaea, and eukaryotes is the tailless icosahedral morphotype with an internal membrane. Although it is considered an abundant morphotype in extreme environments, only seven such archaeal viruses are known. Here, we introduce Haloarcula californiae icosahedral virus 1 (HCIV-1), a halophilic euryarchaeal virus originating from salt crystals. HCIV-1 also retains its infectivity under low-salinity conditions, showing that it is able to adapt to environmental changes. The release of progeny virions resulting from cell lysis was evidenced by reduced cellular oxygen consumption, leakage of intracellular ATP, and binding of an indicator ion to ruptured cell membranes. The virion contains at least 12 different protein species, lipids selectively acquired from the host cell membrane, and a 31,314-bp-long linear double-stranded DNA (dsDNA). The overall genome organization and sequence show high similarity to the genomes of archaeal viruses in the Sphaerolipoviridae family. Phylogenetic analysis based on the major conserved components needed for virion assembly—the major capsid proteins and the packaging ATPase—placed HCIV-1 along with the alphasphaerolipoviruses in a distinct, well-supported clade. On the basis of its virion morphology and sequence similarities, most notably, those of its core virion components, we propose that HCIV-1 is a member of the PRD1-adenovirus structure-based lineage together with other sphaerolipoviruses. This addition to the lineage reinforces the notion of the ancient evolutionary links observed between the viruses and further highlights the limits of the choices found in nature for formation of a virion. PMID:27435460

  19. Metal-organic framework materials based on icosahedral boranes and carboranes

    DOEpatents

    Mirkin, Chad A.; Hupp, Joseph T.; Farha, Omar K.; Spokoyny, Alexander M.; Mulfort, Karen L.

    2010-11-02

    Disclosed herein are metal-organic frameworks of metals and boron rich ligands, such as carboranes and icosahedral boranes. Methods of synthesizing and using these materials in gas uptake are disclosed.

  20. Applying Symmetries of Common Objects to Help Students Understand Stereoselectivity for Apparently Symmetric Substrates

    ERIC Educational Resources Information Center

    Jittam, Piyachat; Ruenwongsa, Pintip; Panijpan, Bhinyo

    2008-01-01

    We have found it an effective way of teaching symmetry in the context of stereoselectivity, to use common everyday objects with the same point groups as the substrates involved. This has helped students to distinguish between those symmetry elements which allow for stereospecificity and those which preclude it. Two symmetry elements, the simple…

  1. Speckle in the diffraction patterns of Hendricks-Teller and icosahedral glass models

    NASA Technical Reports Server (NTRS)

    Garg, Anupam; Levine, Dov

    1988-01-01

    It is shown that the X-ray diffraction patterns from the Hendricks-Teller model for layered systems and the icosahedral glass models for the icosahedral phases show large fluctuations between nearby scattering wave vectors and from sample to sample, that are quite analogous to laser speckle. The statistics of these fluctuations are studied analytically for the first model and via computer simulations for the second. The observability of these effects is discussed briefly.

  2. Stable Icosahedral Hollow Cage Clusters: Stannapherene (Sn12 2-) and Plumbaspherene (Pb12 2-)

    SciTech Connect

    Cui, Lifeng; Wang, Lai S.

    2008-01-01

    One of the major objectives of cluster science is to discover stable atomic clusters, which may be used as building blocks for cluster-assembled nanomaterials. The discovery and bulk synthesis of the fullerenes have sprouted new research disciplines in chemistry and nanoscience and precipitated intense interests to search for other similar stable clusters. However, despite major research efforts, no other analogous gas-phase clusters have been found and yielded to bulk syntheses. In this article, we review our recent discoveries in cluster beam experiments of stannaspherene (Sn12 2–) and plumbaspherene (Pb12 2–), which are highly stable and symmetric cage clusters. The names for these two clusters derive from their icosahedral (Ih) symmetry and delocalized spherical π-bonding that are characteristics of buckminsterfullerene C60. Stannaspherene and plumbaspherene have diameters comparable to that of C60 and can be considered as inorganic analogs of the buckyball. The large internal space in Sn12 2– has been shown to be able to trap any transition metal atom to form new endohedral cage clusters, M@Sn12 –, analogous to endohedral fullerenes. The doped atom in M@Sn12 – keeps its quasi-atomic nature with large magnetic moments. These endohedral cages form a rich class of new building blocks for cluster-assembled materials with tunable magnetic, electronic, and chemical properties. During our attempt to synthesize endohedral stannaspherenes, we crystallized a new Pd2@Sn18 4– cluster, which can be viewed as the fusion of two Pd@Sn12 2– clusters. This result suggests that stannaspherene, plumbaspherene, and a large number of their endohedrally doped species can be synthesized in the bulk.

  3. Is space-time symmetry a suitable generalization of parity-time symmetry?

    NASA Astrophysics Data System (ADS)

    Amore, Paolo; Fernández, Francisco M.; Garcia, Javier

    2014-11-01

    We discuss space-time symmetric Hamiltonian operators of the form H =H0 + igH‧, where H0 is Hermitian and g real. H0 is invariant under the unitary operations of a point group G while H‧ is invariant under transformation by elements of a subgroup G‧ of G. If G exhibits irreducible representations of dimension greater than unity, then it is possible that H has complex eigenvalues for sufficiently small nonzero values of g. In the particular case that H is parity-time symmetric then it appears to exhibit real eigenvalues for all 0 < g Point-group symmetry and perturbation theory enable one to predict whether H may exhibit real or complex eigenvalues for g > 0. We illustrate the main theoretical results and conclusions of this paper by means of two- and three-dimensional Hamiltonians exhibiting a variety of different point-group symmetries.

  4. Symmetry matters.

    PubMed

    Moubayidin, Laila; Østergaard, Lars

    2015-09-01

    985 I. 985 II. 986 III. 987 IV. 988 V. 989 989 References 989 SUMMARY: The development of multicellular organisms depends on correct establishment of symmetry both at the whole-body scale and within individual tissues and organs. Setting up planes of symmetry must rely on communication between cells that are located at a distance from each other within the organism, presumably via mobile morphogenic signals. Although symmetry in nature has fascinated scientists for centuries, it is only now that molecular data to unravel mechanisms of symmetry establishment are beginning to emerge. As an example we describe the genetic and hormonal interactions leading to an unusual bilateral-to-radial symmetry transition of an organ in order to promote reproduction. PMID:26086581

  5. Multiple diffraction in an icosahedral Al-Cu-Fe quasicrystal

    NASA Astrophysics Data System (ADS)

    Fan, C. Z.; Weber, Th.; Deloudi, S.; Steurer, W.

    2011-07-01

    In order to reveal its influence on quasicrystal structure analysis, multiple diffraction (MD) effects in an icosahedral Al-Cu-Fe quasicrystal have been investigated in-house on an Oxford Diffraction four-circle diffractometer equipped with an Onyx™ CCD area detector and MoKα radiation. For that purpose, an automated approach for Renninger scans (ψ-scans) has been developed. Two weak reflections were chosen as the main reflections (called P) in the present measurements. As is well known for periodic crystals, it is also observed for this quasicrystal that the intensity of the main reflection may significantly increase if the simultaneous (H) and the coupling (P-H) reflections are both strong, while there is no obvious MD effect if one of them is weak. The occurrence of MD events during ψ-scans has been studied based on an ideal structure model and the kinematical MD theory. The reliability of the approach is revealed by the good agreement between simulation and experiment. It shows that the multiple diffraction effect is quite significant.

  6. Many-molecule encapsulation by an icosahedral shell

    PubMed Central

    Perlmutter, Jason D; Mohajerani, Farzaneh; Hagan, Michael F

    2016-01-01

    We computationally study how an icosahedral shell assembles around hundreds of molecules. Such a process occurs during the formation of the carboxysome, a bacterial microcompartment that assembles around many copies of the enzymes ribulose 1,5-bisphosphate carboxylase/ oxygenase and carbonic anhydrase to facilitate carbon fixation in cyanobacteria. Our simulations identify two classes of assembly pathways leading to encapsulation of many-molecule cargoes. In one, shell assembly proceeds concomitantly with cargo condensation. In the other, the cargo first forms a dense globule; then, shell proteins assemble around and bud from the condensed cargo complex. Although the model is simplified, the simulations predict intermediates and closure mechanisms not accessible in experiments, and show how assembly can be tuned between these two pathways by modulating protein interactions. In addition to elucidating assembly pathways and critical control parameters for microcompartment assembly, our results may guide the reengineering of viruses as nanoreactors that self-assemble around their reactants. DOI: http://dx.doi.org/10.7554/eLife.14078.001 PMID:27166515

  7. Schottky effect in the i -Zn-Ag-Sc-Tm icosahedral quasicrystal and its 1/1 Zn-Sc-Tm approximant

    NASA Astrophysics Data System (ADS)

    Jazbec, S.; Kashimoto, S.; Koželj, P.; Vrtnik, S.; Jagodič, M.; Jagličić, Z.; Dolinšek, J.

    2016-02-01

    The analysis of low-temperature specific heat of rare-earth (RE)-containing quasicrystals and periodic approximants and consequent interpretation of their electronic properties in the T →0 limit is frequently hampered by the Schottky effect, where crystalline electric fields lift the degeneracy of the RE-ion Hund's rule ground state and introduce additional contribution to the specific heat. In this paper we study the low-temperature specific heat of a thulium-containing i -Zn-Ag-Sc-Tm icosahedral quasicrystal and its 1/1 Zn-Sc-Tm approximant, both being classified as "Schottky" systems. We have derived the crystal-field Hamiltonian for pentagonal symmetry of the crystalline electric field, pertinent to the class of Tsai-type icosahedral quasicrystals and their approximants, where the RE ions are located on fivefold axes of the icosahedral atomic cluster. Using the leading term of this Hamiltonian, we have calculated analytically the Schottky specific heat in the presence of an external magnetic field and made comparison to the experimental specific heat of the investigated quasicrystal and approximant. When the low-temperature specific heat C is analyzed in a C /T versus T2 scale (as it is customarily done for metallic specimens), the Schottky specific heat yields an upturn in the T →0 limit that cannot be easily distinguished from a similar upturn produced by the electron-electron interactions in exchange-enhanced systems and strongly correlated systems. Our results show that extraction of the electronic properties of RE-containing quasicrystals from their low-temperature specific heat may be uncertain in the presence of the Schottky effect.

  8. Symmetry analysis of translational symmetry broken density waves: Application to hexagonal lattices in two dimensions

    NASA Astrophysics Data System (ADS)

    Venderbos, J. W. F.

    2016-03-01

    In this work we introduce a symmetry classification for electronic density waves which break translational symmetry due to commensurate wave-vector modulations. The symmetry classification builds on the concept of extended point groups: symmetry groups which contain, in addition to the lattice point group, translations that do not map the enlarged unit cell of the density wave to itself, and become "nonsymmorphic"-like elements. Multidimensional representations of the extended point group are associated with degenerate wave vectors. Electronic properties such as (nodal) band degeneracies and topological character can be straightforwardly addressed, and often follow directly. To further flesh out the idea of symmetry, the classification is constructed so as to manifestly distinguish time-reversal invariant charge (i.e., site and bond) order, and time-reversal breaking flux order. For the purpose of this work, we particularize to spin-rotation invariant density waves. As a first example of the application of the classification we consider the density waves of a simple single- and two-orbital square lattice model. The main objective, however, is to apply the classification to two-dimensional (2D) hexagonal lattices, specifically the triangular and the honeycomb lattices. The multicomponent density waves corresponding to the commensurate M -point ordering vectors are worked out in detail. To show that our results generally apply to 2 D hexagonal lattices, we develop a general low-energy SU(3 ) theory of (spinless) saddle-point electrons.

  9. Comparative Study of Non-Enveloped Icosahedral Viruses Size

    PubMed Central

    Nikitin, Nikolai; Trifonova, Ekaterina; Evtushenko, Evgeniy; Kirpichnikov, Mikhail; Atabekov, Joseph; Karpova, Olga

    2015-01-01

    Now, as before, transmission electron microscopy (TEM) is a widely used technique for the determination of virions size. In some studies, dynamic light scattering (DLS) has also been applied for this purpose. Data obtained by different authors and using different methods could vary significantly. The process of TEM sample preparation involves drying on the substrate, which can cause virions to undergo morphology changes. Therefore, other techniques should be used for measurements of virions size in liquid, (i.e. under conditions closer to native). DLS and nanoparticle tracking analysis (NTA) provide supplementary data about the virions hydrodynamic diameter and aggregation state in liquid. In contrast to DLS, NTA data have a higher resolution and also are less sensitive to minor admixtures. In the present work, the size of non-enveloped icosahedral viruses of different nature was analyzed by TEM, DLS and NTA: the viruses used were the encephalomyocarditis virus (animal virus), and cauliflower mosaic virus, brome mosaic virus and bean mild mosaic virus (plant viruses). The same, freshly purified, samples of each virus were used for analysis using the different techniques. The results were compared with earlier published data and description databases. DLS data about the hydrodynamic diameter of bean mild mosaic virus, and NTA data for all examined viruses, were obtained for the first time. For all virus samples, the values of size obtained by TEM were less than virions sizes determined by DLS and NTA. The contribution of the electrical double layer (EDL) in virions hydrodynamic diameter was evaluated. DLS and NTA data adjusted for EDL thickness were in better agreement with TEM results. PMID:26545232

  10. Design of Three-shell Icosahedral Matryoshka Clusters A@B12@A20 (A = Sn, Pb; B = Mg, Zn, Cd, Mn)

    PubMed Central

    Huang, Xiaoming; Zhao, Jijun; Su, Yan; Chen, Zhongfang; King, R. Bruce

    2014-01-01

    We propose a series of icosahedral matryoshka clusters of A@B12@A20 (A = Sn, Pb; B = Mg, Zn, Cd), which possess large HOMO-LUMO gaps (1.29 to 1.54 eV) and low formation energies (0.06 to 0.21 eV/atom). A global minimum search using a genetic algorithm and density functional theory calculations confirms that such onion-like three-shell structures are the ground states for these A21B12 binary clusters. All of these icosahedral matryoshka clusters, including two previously found ones, i.e., [As@Ni12@As20]3− and [Sn@Cu12@Sn20]12−, follow the 108-electron rule, which originates from the high Ih symmetry and consequently the splitting of superatom orbitals of high angular momentum. More interestingly, two magnetic matryoshka clusters, i.e., Sn@Mn12@Sn20 and Pb@Mn12@Pb20, are designed, which combine a large magnetic moment of 28 µB, a moderate HOMO-LUMO gap, and weak inter-cluster interaction energy, making them ideal building blocks in novel magnetic materials and devices. PMID:25376938

  11. Design of Three-shell Icosahedral Matryoshka Clusters A@B12@A20 (A = Sn, Pb; B = Mg, Zn, Cd, Mn)

    NASA Astrophysics Data System (ADS)

    Huang, Xiaoming; Zhao, Jijun; Su, Yan; Chen, Zhongfang; King, R. Bruce

    2014-11-01

    We propose a series of icosahedral matryoshka clusters of A@B12@A20 (A = Sn, Pb; B = Mg, Zn, Cd), which possess large HOMO-LUMO gaps (1.29 to 1.54 eV) and low formation energies (0.06 to 0.21 eV/atom). A global minimum search using a genetic algorithm and density functional theory calculations confirms that such onion-like three-shell structures are the ground states for these A21B12 binary clusters. All of these icosahedral matryoshka clusters, including two previously found ones, i.e., [As@Ni12@As20]3- and [Sn@Cu12@Sn20]12-, follow the 108-electron rule, which originates from the high Ih symmetry and consequently the splitting of superatom orbitals of high angular momentum. More interestingly, two magnetic matryoshka clusters, i.e., Sn@Mn12@Sn20 and Pb@Mn12@Pb20, are designed, which combine a large magnetic moment of 28 µB, a moderate HOMO-LUMO gap, and weak inter-cluster interaction energy, making them ideal building blocks in novel magnetic materials and devices.

  12. The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

    NASA Technical Reports Server (NTRS)

    Curreri, Peter A. (Technical Monitor); Kelton, K. F.; Gangopadhyay, A.; Lee, G. W.; Hyers, R. W.; Rathz, R. J.; Rogers, J.; Schenk, T.; Simonet, V.; Holland-Moritz, D.

    2003-01-01

    Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si, for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

  13. The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation of Ordered Phases

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.; Gangopadhyay, A. K.; Lee, G. W.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, M. B.; Schenk, T.; Simonet, V.; Holland-Moritz, D.; Curreri, Peter A. (Technical Monitor)

    2002-01-01

    Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si(3), for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron X-ray and high flux neutron facilities.

  14. The Connection Between Local Icosahedral Order in Metallic Liquids and the Nucleation Behavior of Ordered Phases

    NASA Technical Reports Server (NTRS)

    Kelton, K. F.; Gangopadhyay, A. K.; Lee, G. W.; Hyers, R. W.; Rathz, T. J.; Rogers, J. R.; Robinson, M. B.; Schenk, T.; Simonet, V.

    2003-01-01

    Over fifty years ago, David Turnbull showed that the temperature of many metallic liquids could be decreased far below their equilibrium melting temperature before crystallization occurred. To explain those surprising results, Charles Frank hypothesized that the local structures of undercooled metallic liquids are different from those of crystal phases, containing a significant degree of icosahedral order that is incompatible with extended periodicity. Such structural differences must create a barrier to the formation crystal phases, explaining the observed undercooling behavior. If true, the nucleation from the liquid of phases with extended icosahedral order should be easier. Icosahedral order is often favored in small clusters, as observed recently in liquid-like clusters of pure Pb on the (111) surface of Si[3], for example. However, it has never been shown that an increasing preference for icosahedral phase formation can be directly linked with the development of icosahedral order in the undercooled liquid. Owing to the combination of very recent advances in levitation techniques and the availability of synchrotron x-ray and high flux neutron facilities, this is shown here.

  15. Ultrathin Icosahedral Pt-Enriched Nanocage with Excellent Oxygen Reduction Reaction Activity.

    PubMed

    He, Dong Sheng; He, Daping; Wang, Jing; Lin, Yue; Yin, Peiqun; Hong, Xun; Wu, Yuen; Li, Yadong

    2016-02-10

    Cost-efficient utilization of Pt in the oxygen reduction reaction (ORR) is of great importance for the potential industrial scale demand of proton-exchange membrane fuel cells. Designing a hollow structure of a Pt catalyst offers a great opportunity to enhance the electrocatalytic performance and maximize the use of precious Pt. Herein we report a routine to synthesize ultrathin icosahedral Pt-enriched nanocages. In detail, the Pt atoms were conformally deposited on the surface of Pd icosahedral seeds, followed by selective removal of the Pd core by a concentrated HNO3 solution. The icosahedral Pt-enriched nanocage that is a few atomic layers thick includes the merits of abundant twin defects, an ultrahigh surface/volume ratio, and an ORR-favored Pt{111} facet, all of which have been demonstrated to be promoting factors for ORR. With a 10 times higher specific activity and 7 times higher mass activity, this catalyst shows more extraordinary ORR activity than the commercial Pt/C. The ORR activity of icosahedral Pt-enriched nanocages outperforms the cubic and octahedral nanocages reported in the literature, demonstrating the superiority of the icosahedral nanocage structure. PMID:26808073

  16. Accurate design of megadalton-scale two-component icosahedral protein complexes.

    PubMed

    Bale, Jacob B; Gonen, Shane; Liu, Yuxi; Sheffler, William; Ellis, Daniel; Thomas, Chantz; Cascio, Duilio; Yeates, Todd O; Gonen, Tamir; King, Neil P; Baker, David

    2016-07-22

    Nature provides many examples of self- and co-assembling protein-based molecular machines, including icosahedral protein cages that serve as scaffolds, enzymes, and compartments for essential biochemical reactions and icosahedral virus capsids, which encapsidate and protect viral genomes and mediate entry into host cells. Inspired by these natural materials, we report the computational design and experimental characterization of co-assembling, two-component, 120-subunit icosahedral protein nanostructures with molecular weights (1.8 to 2.8 megadaltons) and dimensions (24 to 40 nanometers in diameter) comparable to those of small viral capsids. Electron microscopy, small-angle x-ray scattering, and x-ray crystallography show that 10 designs spanning three distinct icosahedral architectures form materials closely matching the design models. In vitro assembly of icosahedral complexes from independently purified components occurs rapidly, at rates comparable to those of viral capsids, and enables controlled packaging of molecular cargo through charge complementarity. The ability to design megadalton-scale materials with atomic-level accuracy and controllable assembly opens the door to a new generation of genetically programmable protein-based molecular machines. PMID:27463675

  17. Interactive PDF files with embedded 3D designs as support material to study the 32 crystallographic point groups

    NASA Astrophysics Data System (ADS)

    Arribas, Victor; Casas, Lluís; Estop, Eugènia; Labrador, Manuel

    2014-01-01

    Crystallography and X-ray diffraction techniques are essential topics in geosciences and other solid-state sciences. Their fundamentals, which include point symmetry groups, are taught in the corresponding university courses. In-depth meaningful learning of symmetry concepts is difficult and requires capacity for abstraction and spatial vision. Traditionally, wooden crystallographic models are used as support material. In this paper, we describe a new interactive tool, freely available, inspired in such models. Thirty-two PDF files containing embedded 3D models have been created. Each file illustrates a point symmetry group and can be used to teach/learn essential symmetry concepts and the International Hermann-Mauguin notation of point symmetry groups. Most interactive computer-aided tools devoted to symmetry deal with molecular symmetry and disregard crystal symmetry so we have developed a tool that fills the existing gap.

  18. Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups.

    PubMed

    Aroyo, Mois I; Kirov, Asen; Capillas, Cesar; Perez-Mato, J M; Wondratschek, Hans

    2006-03-01

    The Bilbao Crystallographic Server is a web site with crystallographic programs and databases freely available on-line (http://www.cryst.ehu.es). The server gives access to general information related to crystallographic symmetry groups (generators, general and special positions, maximal subgroups, Brillouin zones etc.). Apart from the simple tools for retrieving the stored data, there are programs for the analysis of group-subgroup relations between space groups (subgroups and supergroups, Wyckoff-position splitting schemes etc.). There are also software packages studying specific problems of solid-state physics, structural chemistry and crystallography. This article reports on the programs treating representations of point and space groups. There are tools for the construction of irreducible representations, for the study of the correlations between representations of group-subgroup pairs of space groups and for the decompositions of Kronecker products of representations. PMID:16489249

  19. Partial spectra of atomic thermal vibrations in decagonal and icosahedral quasicrystals

    SciTech Connect

    Parshin, P. P.; Zemlyanov, M. G. Brand, R. A.

    2007-05-15

    The atomic dynamics of an Al-Ni-Fe decagonal quasicrystal and an Al-Cu-Fe icosahedral quasicrystal are investigated experimentally using the isotopic contrast method in inelastic neutron scattering. The partial spectra of thermal vibrations of copper, nickel, iron, and aluminum atoms in the decagonal and icosahedral quasicrystals are reconstructed directly from the experimental data without recourse to model concepts. The limiting energies and positions of the main features in the partial spectra of atomic thermal vibrations in decagonal and icosahedral quasicrystals are determined. It is established that, in the quasicrystals under investigation, the copper and nickel atoms are bound more weakly than the iron atoms and that the partial vibrational spectrum of aluminum atoms in the quasicrystals is considerably harder than the spectrum of pure metallic aluminum.

  20. Geometrical symmetries of nuclear systems: {{ D }}_{3h} and {{ T }}_{d} symmetries in light nuclei

    NASA Astrophysics Data System (ADS)

    Bijker, Roelof

    2016-07-01

    The role of discrete (or point-group) symmetries in α-cluster nuclei is discussed in the framework of the algebraic cluster model which describes the relative motion of the α-particles. Particular attention is paid to the discrete symmetry of the geometric arrangement of the α-particles, and the consequences for the structure of the corresponding rotational bands. The method is applied to study cluster states in the nuclei 12C and 16O. The observed level sequences can be understood in a simple way as a consequence of the underlying discrete symmetry that characterizes the geometrical configuration of the α-particles, i.e. an equilateral triangle with {{ D }}3h symmetry for 12C, and a tetrahedron with {{ T }}d symmetry for 16O. The structure of rotational bands provides a fingerprint of the underlying geometrical configuration of α-particles.

  1. A molecular dynamics study on the structural and electronic properties of two-dimensional icosahedral B12 cluster based structures

    NASA Astrophysics Data System (ADS)

    Kah, Cherno Baba; Yu, M.; Jayanthi, C. S.; Wu, S. Y.

    2014-03-01

    Our previous study on one-dimensional icosahedral B12 cluster (α-B12) based chain [Bulletin of APS Annual Meeting, p265 (2013)] and ring structures has prompted us to study the two-dimensional (2D) α-B12 based structures. Recently, we have carried out a systematic molecular dynamics study on the structural stabilities and electronic properties of the 2D α-B12 based structures using the SCED-LCAO method [PRB 74, 15540 (2006)]. We have considered several types of symmetry for these 2D structures such as δ3, δ4, δ6 (flat triangular), and α' types. We have found that the optimized structures are energetically in the order of δ6 < α' < δ3 < δ4 which is different from the energy order of α'< δ6 < δ4 < δ3 found in the 2D boron monolayer sheets [ACS Nano 6, 7443 (2012)]. A detailed discussion of this study will be presented. The first author acknowledges the McSweeny Fellowship for supporting his research in this work.

  2. Anisotropic Spin Correlations in the Zn-Mg-Ho Icosahedral Quasicrystal

    NASA Astrophysics Data System (ADS)

    Sato, Taku J.; Takakura, Hiroyuki; Tsai, An Pang; Shibata, Kaoru

    1998-09-01

    Neutron scattering experiments have been performed on the Zn-Mg-Ho icosahedral quasicrystal using powder and single-crystalline samples. In contrast to a previous Letter [Charrier et al., Phys. Rev. Lett. 78, 4637 (1997)], the magnetic long-range order could not be detected in the icosahedral quasicrystal. It instead exhibits highly anisotropic diffuse scattering, which appears as satellite ridges of intense nuclear Bragg reflections, running parallel to the fivefold axis. The result suggests that quasi-five-dimensional spin correlations develop on a six-dimensional hypercubic lattice.

  3. Inherited Symmetry

    ERIC Educational Resources Information Center

    Attanucci, Frank J.; Losse, John

    2008-01-01

    In a first calculus course, it is not unusual for students to encounter the theorems which state: If f is an even (odd) differentiable function, then its derivative is odd (even). In our paper, we prove some theorems which show how the symmetry of a continuous function f with respect to (i) the vertical line: x = a or (ii) with respect to the…

  4. Symmetry and equivalence restrictions in electronic structure calculations

    NASA Technical Reports Server (NTRS)

    Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1988-01-01

    A simple method for obtaining MCSCF orbitals and CI natural orbitals adapted to degenerate point groups, with full symmetry and equivalnece restrictions, is described. Among several advantages accruing from this method are the ability to perform atomic SCF calculations on states for which the SCF energy expression cannot be written in terms of Coulomb and exchange integrals over real orbitals, and the generation of symmetry-adapted atomic natural orbitals for use in a recently proposed method for basis set contraction.

  5. Studies of Inactivation Mechanism of non-enveloped icosahedral viruses by a visible ultrashort pulsed laser

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The inactivation mechanism of ultrashort pulsed laser irradiation at a wavelength of 425 nm has been studied using two different-sized, non-enveloped icosahedral viruses, murine norovirus-1 (MNV-1) and human papillomavirus-16 (HPV-16) pseudovirions. Our experimental results are consistent with a mo...

  6. Global ocean simulations by HYCOM on icosahedral and logically rectangular grids

    NASA Astrophysics Data System (ADS)

    Sun, Shan; Bleck, Rainer

    2015-04-01

    iHYCOM, short for "icosahedral HYbrid Coordinate Ocean Model", is being developed at the NOAA Earth System Research Laboratory. The purpose of formulating HYCOM on an icosahedral grid is to allow coupling to an existing icosahedral weather prediction model ("FIM", see http://fim.noaa.gov) unencumbered by interpolation problems at the air-sea-ice interface. We have tested the traditional HYCOM, formulated on a Mercator grid augmented by a bipolar pole patch, with iHYCOM for several decades at comparable horizontal mesh sizes in the 0.5-1.0 deg range, employing the same vertical resolution of 26 potential density (sigma_1) layers. These comparison runs were forced by CORE (Common Ocean-Ice Reference Experiment) fields. Several performance measures indicate that formulating HYCOM on an icosahedral mesh is feasible, although a numerically stable barotropic-baroclinic mode splitting scheme is not available yet. We compare the large scale circulations simulated by both model versions and investigate the model sensitivity to different horizontal grids.

  7. Capping-agent-free synthesis of substrate-supported porous icosahedral gold nanoparticles

    NASA Astrophysics Data System (ADS)

    Wu, Ji Hong; Guan, Zhenping; Yang, Su Ke; Yuan, Peiyan; Xu, Qing-Hua; Xu, Guo Qin

    2013-03-01

    We report a new capping-agent-free strategy for the synthesis of substrate-supported porous icosahedral Au nanoparticles (NPs) with rough naked surfaces, based on the crystallization from substrate-supported thin solution layers followed by solid-phase thermolysis. The plasmonic properties of icosahedral Au NPs have been studied using single particle dark-field scattering microscopy and spectroscopy. The two distinct localized surface plasmon resonance (LSPR) bands observed in the single particle dark-field spectra can be ascribed to the quadrupole resonance at ca. 425 nm and the size-dependent dipole resonance in the red region (645-708 nm). The unique rough naked surface, the facile synthesis, together with the ability to control the nanoparticle size and to vary the LSPR frequency in the red region, would make the substrate-supported porous icosahedral Au NPs promising on multiple levels in the applications of catalysis, ultrasensitive biosensors, and in surface-enhanced Raman scattering (SERS).We report a new capping-agent-free strategy for the synthesis of substrate-supported porous icosahedral Au nanoparticles (NPs) with rough naked surfaces, based on the crystallization from substrate-supported thin solution layers followed by solid-phase thermolysis. The plasmonic properties of icosahedral Au NPs have been studied using single particle dark-field scattering microscopy and spectroscopy. The two distinct localized surface plasmon resonance (LSPR) bands observed in the single particle dark-field spectra can be ascribed to the quadrupole resonance at ca. 425 nm and the size-dependent dipole resonance in the red region (645-708 nm). The unique rough naked surface, the facile synthesis, together with the ability to control the nanoparticle size and to vary the LSPR frequency in the red region, would make the substrate-supported porous icosahedral Au NPs promising on multiple levels in the applications of catalysis, ultrasensitive biosensors, and in surface

  8. Dynamic Paper Constructions for Easier Visualization of Molecular Symmetry

    ERIC Educational Resources Information Center

    Sein, Lawrence T., Jr.

    2010-01-01

    A system for construction of simple poster-board models is described. The models dynamically demonstrate the symmetry operations of proper rotation, improper rotation, reflection, and inversion for the chemically important point groups D[subscript 3h], D[subscript 4h], D[subscript 5h], D[subscript 6h], T[subscript d], and O[subscript h]. The…

  9. Web-Supported Chemistry Education: Design of an Online Tutorial for Learning Molecular Symmetry

    ERIC Educational Resources Information Center

    Korkmaz, Ali; Harwood, William S.

    2004-01-01

    This paper describes our use of the ADDIE protocol to design and develop an interactive tutorial for students learning molecular symmetry operations and point groups. The tutorial provides a 3-D environment where students can examine molecules, structures, and symmetry elements. Most such tutorials are connected to courses or instructors in…

  10. Is space-time symmetry a suitable generalization of parity-time symmetry?

    SciTech Connect

    Amore, Paolo; Fernández, Francisco M.; Garcia, Javier

    2014-11-15

    We discuss space-time symmetric Hamiltonian operators of the form H=H{sub 0}+igH{sup ′}, where H{sub 0} is Hermitian and g real. H{sub 0} is invariant under the unitary operations of a point group G while H{sup ′} is invariant under transformation by elements of a subgroup G{sup ′} of G. If G exhibits irreducible representations of dimension greater than unity, then it is possible that H has complex eigenvalues for sufficiently small nonzero values of g. In the particular case that H is parity-time symmetric then it appears to exhibit real eigenvalues for all 0Point-group symmetry and perturbation theory enable one to predict whether H may exhibit real or complex eigenvalues for g>0. We illustrate the main theoretical results and conclusions of this paper by means of two- and three-dimensional Hamiltonians exhibiting a variety of different point-group symmetries. - Highlights: • Space-time symmetry is a generalization of PT symmetry. • The eigenvalues of a space-time Hamiltonian are either real or appear as pairs of complex conjugate numbers. • In some cases all the eigenvalues are real for some values of a potential-strength parameter g. • At some value of g space-time symmetry is broken and complex eigenvalues appear. • Some multidimensional oscillators exhibit broken space-time symmetry for all values of g.

  11. Investigation of the growth and local stoichiometric point group symmetry of titania nanotubes during potentiostatic anodization of titanium in phosphate electrolytes

    NASA Astrophysics Data System (ADS)

    Cummings, F. R.; Muller, T. F. G.; Malgas, G. F.; Arendse, C. J.

    2015-10-01

    Potentiostatic anodization of commercially pure, 50 μm-thick titanium (Ti) foil was performed in aqueous, phosphate electrolytes at increasing experimental timeframes at a fixed applied potential for the synthesis of titania nanotube arrays (TNAs). High resolution scanning electron microscopy images, combined with energy dispersive spectroscopy and x-ray diffraction spectra reveal that anodization of the Ti foil in a 1 M NaF+0.5 M H3PO4 electrolyte for 4 h yields a titanate surface with pore diameters ranging between 100 and 500 nm. The presence of rods on the Ti foil surface with lengths exceeding 20 μm and containing high concentrations of phosphor on the exterior was also detected at these conditions, along with micro-sized coral reef-like titanate balls. We propose that the formation of these structures play a major role during the anodization process and impedes nanotube growth during the anodization process. High spatially resolved scanning transmission electron microscopy-electron energy loss spectroscopy (STEM-EELS) performed along the length of a single anodized TiO2 nanotube reveals a gradual evolution of the nanotube crystallinity, from a rutile-rich bottom to a predominantly anatase TiO2 structure along its length.

  12. Formation of quasi-icosahedral structures with multi-conjoint fivefold deformation twins in fivefold twinned metallic nanowires

    NASA Astrophysics Data System (ADS)

    Jiang, Shan; Shen, Yonggang; Zheng, Yonggang; Chen, Zhen

    2013-07-01

    We show by molecular dynamics simulations that symmetrical quasi-icosahedral structures can be formed in fivefold twinned metallic nanowires (Cu, Au, and Ag) under dynamic tensile loading. The quasi-icosahedral structure, different from the icosahedral nanoclusters found in the past, consists of a twisted original fivefold twinned axis and ten secondary fivefold deformation twins, with five preexisting prismatic and fifteen tetrahedral subunits joined adjacently. Formation of these structures is observed in the necking region during the plastic deformation with successive twinning processes and is found to be independent on the cross-sectional shape as well as the tensile strain rate of the nanowires.

  13. Broken Symmetry

    ScienceCinema

    None

    2011-10-06

    - Physics, as we know it, attempts to interpret the diverse natural phenomena as particular manifestations of general laws. This vision of a world ruled by general testable laws is relatively recent in the history of mankind. Basically it was initiated by the Galilean inertial principle. The subsequent rapid development of large-scale physics is certainly tributary to the fact that gravitational and electromagnetic forces are long-range and hence can be perceived directly without the mediation of highly sophisticated technical devices. - The discovery of subatomic structures and of the concomitant weak and strong short-range forces raised the question of how to cope with short-range forces in relativistic quantum field theory. The Fermi theory of weak interactions, formulated in terms of point-like current-current interaction, was well-defined in lowest order perturbation theory and accounted for existing experimental data.However, it was inconsistent in higher orders because of uncontrollable divergent quantum fluctuations. In technical terms, in contradistinction to quantum electrodynamics, the Fermi theorywas not ?renormalizable?. This difficulty could not be solved by smoothing the point-like interaction by a massive, and therefore short-range, charged ?vector? particle exchange: theories with massive charged vector bosons were not renormalizable either. In the early nineteen sixties, there seemed to be insuperable obstacles to formulating a consistent theory with short-range forces mediated by massive vectors. - The breakthrough came from the notion of spontaneous symmetry breaking which arose in the study of phase transitions and was introduced in field theory by Nambu in 1960. - Ferromagnets illustrate the notion in phase transitions. Although no direction is dynamically preferred, the magnetization selects a global orientation. This is a spontaneous broken symmetry(SBS)of rotational invariance. Such continuous SBS imply the existence of ?massless? modes

  14. Nematic phases and the breaking of double symmetries

    SciTech Connect

    Mathy, C.J.M. . E-mail: cmathy@princeton.edu; Bais, F.A. . E-mail: bais@science.uva.nl

    2007-03-15

    In this paper, we present a phase classification of (effectively) two-dimensional non-Abelian nematics, obtained using the Hopf symmetry breaking formalism. In this formalism, one exploits the underlying double symmetry which treats both ordinary and topological modes on equal footing, i.e., as representations of a single (non-Abelian) Hopf symmetry. The method introduced in the literature [F.A. Bais, B.J. Schroers, J.K. Slingerland, Broken quantum symmetry and confinement phases in planar physics, Phys. Rev. Lett. 89 (2002) 181601; F.A. Bais, B.J. Schroers, J.K. Slingerland, Hopf symmetry breaking and confinement in (2+1)-dimensional gauge theory, JHEP 05 (2003) 068.] and further developed in a paper published in parallel [F.A. Bais, C.J.M. Mathy, The breaking of quantum double symmetries by defect condensation, 2006, arXiv:cond-mat/0602115.] allows for a full classification of defect mediated as well as ordinary symmetry breaking patterns and a description of the resulting confinement and/or liberation phenomena. After a summary of the formalism, we determine the double symmetries for tetrahedral, octahedral, and icosahedral nematics and their representations. Subsequently the breaking patterns which follow from the formation of admissible defect condensates are analyzed systematically. This leads to a host of new (quantum and classical) nematic phases. Our result consists of a listing of condensates, with the corresponding intermediate residual symmetry algebra T{sub r} and the symmetry algebra U characterizing the effective 'low energy' theory of surviving unconfined and liberated degrees of freedom in the broken phase. The results suggest that the formalism is applicable to a wide variety of two-dimensional quantum fluids, crystals and liquid crystals.

  15. Nematic phases and the breaking of double symmetries

    NASA Astrophysics Data System (ADS)

    Mathy, C. J. M.; Bais, F. A.

    2007-03-01

    In this paper, we present a phase classification of (effectively) two-dimensional non-Abelian nematics, obtained using the Hopf symmetry breaking formalism. In this formalism, one exploits the underlying double symmetry which treats both ordinary and topological modes on equal footing, i.e., as representations of a single (non-Abelian) Hopf symmetry. The method introduced in the literature [F.A. Bais, B.J. Schroers, J.K. Slingerland, Broken quantum symmetry and confinement phases in planar physics, Phys. Rev. Lett. 89 (2002) 181601; F.A. Bais, B.J. Schroers, J.K. Slingerland, Hopf symmetry breaking and confinement in (2+1)-dimensional gauge theory, JHEP 05 (2003) 068.] and further developed in a paper published in parallel [F.A. Bais, C.J.M. Mathy, The breaking of quantum double symmetries by defect condensation, 2006, arXiv:cond-mat/0602115.] allows for a full classification of defect mediated as well as ordinary symmetry breaking patterns and a description of the resulting confinement and/or liberation phenomena. After a summary of the formalism, we determine the double symmetries for tetrahedral, octahedral, and icosahedral nematics and their representations. Subsequently the breaking patterns which follow from the formation of admissible defect condensates are analyzed systematically. This leads to a host of new (quantum and classical) nematic phases. Our result consists of a listing of condensates, with the corresponding intermediate residual symmetry algebra Tr and the symmetry algebra U characterizing the effective "low energy" theory of surviving unconfined and liberated degrees of freedom in the broken phase. The results suggest that the formalism is applicable to a wide variety of two-dimensional quantum fluids, crystals and liquid crystals.

  16. Projective symmetry of partons in Kitaev's honeycomb model

    NASA Astrophysics Data System (ADS)

    Mellado, Paula

    2015-03-01

    Low-energy states of quantum spin liquids are thought to involve partons living in a gauge-field background. We study the spectrum of Majorana fermions of Kitaev's honeycomb model on spherical clusters. The gauge field endows the partons with half-integer orbital angular momenta. As a consequence, the multiplicities reflect not the point-group symmetries of the cluster, but rather its projective symmetries, operations combining physical and gauge transformations. The projective symmetry group of the ground state is the double cover of the point group. We acknowledge Fondecyt under Grant No. 11121397, Conicyt under Grant No. 79112004, and the Simons Foundation (P.M.); the Max Planck Society and the Alexander von Humboldt Foundation (O.P.); and the US DOE Grant No. DE-FG02-08ER46544 (O.T.).

  17. Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

    NASA Astrophysics Data System (ADS)

    Lowe, M.; Yadav, T. P.; Fournée, V.; Ledieu, J.; McGrath, R.; Sharma, H. R.

    2015-03-01

    The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized by x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe3O4 rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol.

  18. Influence of leaching on surface composition, microstructure, and valence band of single grain icosahedral Al-Cu-Fe quasicrystal

    SciTech Connect

    Lowe, M.; McGrath, R.; Sharma, H. R.; Yadav, T. P.; Fournée, V.; Ledieu, J.

    2015-03-07

    The use of quasicrystals as precursors to catalysts for the steam reforming of methanol is potentially one of the most important applications of these new materials. To develop application as a technology requires a detailed understanding of the microscopic behavior of the catalyst. Here, we report the effect of leaching treatments on the surface microstructure, chemical composition, and valence band of the icosahedral (i-) Al-Cu-Fe quasicrystal in an attempt to prepare a model catalyst. The high symmetry fivefold surface of a single grain i-Al-Cu-Fe quasicrystal was leached with NaOH solution for varying times, and the resulting surface was characterized by x-ray photoelectron spectroscopy (XPS), ultraviolet photoelectron spectroscopy (UPS), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The leaching treatments preferentially remove Al producing a capping layer consisting of Fe and Cu oxides. The subsurface layer contains elemental Fe and Cu in addition to the oxides. The quasicrystalline bulk structure beneath remains unchanged. The subsurface gradually becomes Fe{sub 3}O{sub 4} rich with increasing leaching time. The surface after leaching exhibits micron sized dodecahedral cavities due to preferential leaching along the fivefold axis. Nanoparticles of the transition metals and their oxides are precipitated on the surface after leaching. The size of the nanoparticles is estimated by high resolution transmission microscopy to be 5-20 nm, which is in agreement with the AFM results. Selected area electron diffraction (SAED) confirms the crystalline nature of the nanoparticles. SAED further reveals the formation of an interface between the high atomic density lattice planes of nanoparticles and the quasicrystal. These results provide an important insight into the preparation of model catalysts of nanoparticles for steam reforming of methanol.

  19. Opening of an icosahedral boron framework: A combined infrared spectroscopic and computational study

    NASA Astrophysics Data System (ADS)

    Fagiani, Matias R.; Liu Zeonjuk, L.; Esser, Tim K.; Gabel, Detlef; Heine, Thomas; Asmis, Knut R.; Warneke, Jonas

    2015-04-01

    The opening of an icosahderal boron cage in the periodinated closo-dodecaborate B12I122- upon deiodination is studied using cryogenic ion trap vibrational spectroscopy combined with electronic structure calculations. Comparison of simulated vibrational spectra to the infrared photodissociation spectra of messenger-tagged B12I122- and B12In- (n = 7-9) formed by skimmer collision induced dissociation shows that the larger clusters absorb exclusively below 975 cm-1 and hence exhibit quasi-icosahedral B12-cage structures, while the higher energy absorptions in-between 1000 and 1300 cm-1 observed for n = 7 can only be recovered by considering a breakup of the icosahedral cage upon deiodination from n = 8 to n = 7.

  20. Adsorption sites on icosahedral quasicrystal surfaces: Dark stars and white flowers

    SciTech Connect

    Unal, B.; Jenks, C.J.; Thiel, P.A.

    2009-01-12

    From other work, two preferred sites have been suggested for metals and semimetals adsorbed on the fivefold surfaces of icosahedral, Al-based quasicrystals. Because of their appearance in scanning tunneling microscopy (STM) images, these sites are known as dark stars and white flowers. In this paper, we analyze four bulk structural models in physical space to determine the types, chemical decorations, and densities of the dark star - and, to a lesser extent, the white flower - adsorption sites for the fivefold planes of icosahedral Al-Pd-Mn. We find that the chemical decorations of these sites are heterogeneous, even within a single model. Both features are also structurally heterogeneous, according to STM measurements, and the structural variation is consistent with the bulk structure models. Finally, from the models, the density of dark stars in the planes correlates with the step height. This may explain previous experimental observations of different properties for different terraces.

  1. Scanning Tunneling Microscopy Studies of Surface Structures of Icosahedral Al-Cu-Fe Quasicrystals

    SciTech Connect

    Tanhong Cai

    2002-12-31

    Three papers are included in this dissertation. The first paper: ''Structural aspects of the fivefold quasicrystalline Al-Cu-Fe surface from STM and dynamical LEED studies'', is in press with ''Surface Science''. The second paper: ''An STM study of the atomic structure of the icosahedral Al-Cu-Fe fivefold surface'' is submitted to ''Physical Review B, Rapid Communication''. The third paper: ''Pseudomorphic starfish: arrangement of extrinsic metal atoms on a quasicrystalline substrate'' is submitted to ''Nature''. Following the third paper are general conclusions and appendices that document the published paper ''Structural aspects of the three-fold surface of icosahedral Al-Pd-Mn'' (appearing in volume 461, issue 1-3 of ''Surface Science'' on page L521-L527, 2000), the design as well as the specifications of the aluminum evaporator used in the aluminum deposition study in this dissertation, an extended discussion of the aluminum deposition on the quasicrystalline surface, and the STM database.

  2. Dual-phase glassy/nanoscale icosahedral phase materials in Cu–Zr–Ti–Pd system alloys

    SciTech Connect

    Louzguine-Luzgin, Dmitri V.; Churyumov, A.Yu.

    2014-10-15

    The present work is devoted to an investigation of the formation kinetics, stability and homogeneity area of the nanoscale icosahedral phase formed on heating in the dual-phase glassy/quasicrystalline phase Cu–Zr–Ti–Pd alloys. The data obtained indicate that the Cu–Zr–Ti–Pd icosahedral phase is not a Cu-rich part of the compositional homogeneity area of the Zr–Cu–Pd one. Moreover, Ti, as well as Pd, is found to be an important element stabilizing quasicrystalline phase in the Cu–Zr–Ti–Pd alloys. The formation criteria for Cu- and Zr/Hf-based icosahedral phases are discussed based on the quasilattice constant to average atomic diameter ratio. Deviation from a certain ratio leads to destabilization of the icosahedral phase. By using the isothermal calorimetry traces transformation kinetics above and below the glass-transition region was analyzed. Some difference in the transformation kinetics above and below the glass-transition region allows us to suggest that possible structure changes occur upon glass-transition. - Highlights: • Formation kinetics, stability and homogeneity area of nanoscale icosahedral phase • Cu–Zr–Ti–Pd icosahedral phase is not a Cu-rich part of Zr–Cu–Pd one. • Ti, as well as Pd, is an important element stabilizing quasicrystalline phase. • Difference in transformation kinetics above and below glass-transition region.

  3. Vibration isolation support system for a truncated icosahedral gravitational wave antenna

    NASA Astrophysics Data System (ADS)

    Velloso, W. F.; Melo, J. L.; Aguiar, O. D.

    2000-06-01

    We designed a mechanical isolation system for an icosahedral resonant gravitational wave detector we plan to construct in Brazil. We have used the NASTRAN finite element software to perform the numerical analysis. Our results show that the designed system could allow a damping factor better than -200 dB in the spectral range of interest, which is adequate to the sensibility level we want for the antenna.

  4. The structure of cucurbitin: subunit symmetry and organization in situ.

    PubMed

    Colman, P M; Suzuki, E; Van Donkelaar, A

    1980-02-01

    The low-resolution (2 nm) subunit symmetry of cucurbitin, the crystalline seed storage globulin of cucurbits, has been determined by X-ray diffraction. The wet crystals belong to the cubic space group F23 and there are 4 molecules per unit cell. The molecules therefore possess point-group symmetry 23 and contain 12 structural units which at this resolution are indistinguishable. On drying, the crystal lattice dimension shrinks from 13.6 nm to 12.4 nm with no apparent change in symmetry. Diffraction patterns of small crystals spun into a pellet, and sections of dry and wet native seed indicate that in situ the protein is organised in microcrystals of the same unit cell and symmetry. Edestin, the crystalline storage globulin from cannabis, and a crystalline globulin from tobacco seed both have the same crystal lattice as cucurbitin and, very likely, the same subunit symmetry. PMID:7358051

  5. The nonabelian tensor square of Bieberbach group of dimension five with dihedral point group of order eight

    NASA Astrophysics Data System (ADS)

    Fauzi, Wan Nor Farhana Wan Mohd; Idrus, Nor'ashiqin Mohd; Masri, Rohaidah; Sarmin, Nor Haniza

    2014-07-01

    The nonabelian tensor product was originated in homotopy theory as well as in algebraic K-theory. The nonabelian tensor square is a special case of the nonabelian tensor product where the product is defined if the two groups act on each other in a compatible way and their action are taken to be conjugation. In this paper, the computation of nonabelian tensor square of a Bieberbach group, which is a torsion free crystallographic group, of dimension five with dihedral point group of order eight is determined. Groups, Algorithms and Programming (GAP) software has been used to assist and verify the results.

  6. Some symmetries in nuclei

    SciTech Connect

    Henley, E.M.

    1981-09-01

    Internal and space-time symmetries are discussed in this group of lectures. The first of the lectures deals with an internal symmetry, or rather two related symmetries called charge independence and charge symmetry. The next two discuss space-time symmetries which also hold approximately, but are broken only by the weak forces; that is, these symmetries hold for both the hadronic and electromagnetic forces. (GHT)

  7. Symmetry-protected entangling boundary zero modes in crystalline topological insulators

    NASA Astrophysics Data System (ADS)

    Chang, Po-Yao; Mudry, Christopher; Ryu, Shinsei

    2014-09-01

    Crystalline topological insulators owe their topological character to the protection that certain boundary states acquire because of certain point-group symmetries. We first show that a Hermitian operator obeying supersymmetric quantum mechanisms (SUSY QM) delivers the entanglement spectrum. We then show that such an entanglement spectrum that is compatible with a certain point-group symmetry obeys a certain local spectral symmetry. The latter result is applied to the stability analysis of four fermionic non-interacting Hamiltonians, the last of which describes graphene with a Kekule distortion. All examples have the remarkable property that their entanglement spectra inherit a local spectral symmetry from either an inversion or reflection symmetry that guarantees the stability of gapless boundary entangling states, even though all examples fail to support protected gapless boundary states at their physical boundaries.

  8. Structural and electronic properties of Li- and Cu-doped β-rhombohedral boron constructed from icosahedral and truncated icosahedral clusters

    NASA Astrophysics Data System (ADS)

    Matsuda, H.; Nakayama, T.; Kimura, K.; Murakami, Y.; Suematsu, H.; Kobayashi, M.; Higashi, I.

    1995-08-01

    This study performs dc conductivity and static magnetic-susceptibility measurements on Li- and Cu-doped β-rhombohedral boron (β-rhombohedral B), which is a unique polymorphic semiconducting (group III) material composed of B12 icosahedral clusters. dc conductivity results show a variable-range-hopping (VRH)-type temperature dependence with a typical localization length of about ~1 Å. In addition, the density of states (DOS) at the Fermi energy, which is calculated from fitted parameters of VRH conduction, was found to have a peak with respect to metal concentration, such that at the highest concentration (Li7.9B105 and Cu4.2B105), metal-doped β-rhombohedral B appears to revert back to an insulator, instead of showing insulator-to-metal transition. Corresponding static magnetic-susceptibility results, however, show a contribution from Pauli paramagnetism in the temperature-independent component χ0, where a similar concentration dependence is shows to that in the DOS of VRH conduction. Based on these properties, we discuss the possibility of filling the intrinsic acceptor band, which originates from the uppermost molecular bonding orbital of the B12 icosahedral cluster that is split by the Jahn-Teller effect. β-rhombohedral B's crystalline structure can also be viewed as a slightly distorted face-centered cubic (fcc) packing of B84 soccer-ball-shaped clusters covalently bound to each other and containing a relatively large number of large-size interstitial doping sites. This structure is considered to be topologically similar to that of fcc C60, although the bonding mechanisms of their clusters are different, and therefore we also describe the similarities and differences between them.

  9. A 3-D Finite-Volume Non-hydrostatic Icosahedral Model (NIM)

    NASA Astrophysics Data System (ADS)

    Lee, Jin

    2014-05-01

    The Nonhydrostatic Icosahedral Model (NIM) formulates the latest numerical innovation of the three-dimensional finite-volume control volume on the quasi-uniform icosahedral grid suitable for ultra-high resolution simulations. NIM's modeling goal is to improve numerical accuracy for weather and climate simulations as well as to utilize the state-of-art computing architecture such as massive parallel CPUs and GPUs to deliver routine high-resolution forecasts in timely manner. NIM dynamic corel innovations include: * A local coordinate system remapped spherical surface to plane for numerical accuracy (Lee and MacDonald, 2009), * Grid points in a table-driven horizontal loop that allow any horizontal point sequence (A.E. MacDonald, et al., 2010), * Flux-Corrected Transport formulated on finite-volume operators to maintain conservative positive definite transport (J.-L, Lee, ET. Al., 2010), *Icosahedral grid optimization (Wang and Lee, 2011), * All differentials evaluated as three-dimensional finite-volume integrals around the control volume. The three-dimensional finite-volume solver in NIM is designed to improve pressure gradient calculation and orographic precipitation over complex terrain. NIM dynamical core has been successfully verified with various non-hydrostatic benchmark test cases such as internal gravity wave, and mountain waves in Dynamical Cores Model Inter-comparisons Projects (DCMIP). Physical parameterizations suitable for NWP are incorporated into NIM dynamical core and successfully tested with multimonth aqua-planet simulations. Recently, NIM has started real data simulations using GFS initial conditions. Results from the idealized tests as well as real-data simulations will be shown in the conference.

  10. Experimentally Founded Charge Transport Model for Icosahedral Boron-Rich Solids

    NASA Astrophysics Data System (ADS)

    Werheit, Helmut

    Charge transport in icosahedral boron-rich solids, in particular in boron carbide, has been controversially discussed. Theoretical band structure calculations, based on idealized instead of real structures, yield qualitatively wrong results; metallic instead of semiconducting behavior in consequence of neglecting intrinsic structural defects. The theoretical bipolaron hypothesis is not compatible with numerous experimental results. In contrast, the actual energy band schemes of β-rhombohedral boron and boron carbide mainly derived from optical investigations allows the consistent description of most of the experimental results. Electronic transport is a superposition of hopping-type and band-type transport, whose share depends on the actual conditions and the antecedent.

  11. Dynamical x-ray diffraction from an icosahedral Al-Pd-Mn quasicrystal

    SciTech Connect

    Kycia, S.

    1996-04-23

    Primary extinction effects in diffraction from single grains of Al-Pd- Mn, and presumably many other FCI alloys, may be significant and should be corrected for prior to use of diffraction data in structural determinations. Probes based on dynamical diffraction effects, such as x-ray standing wave fluorescence, multiple beam interference, and x-ray transmission topographs, may now be used to study the bulk and surface structure of some quasicrystals. The observation of dynamical diffraction from icosahedral Al-Pd-Mn is a striking confirmation of the fact that quasicrystals can present a degree of structural perfection comparable to that found in the best periodic intermetallic crystals.

  12. Studies of inactivation mechanism of non-enveloped icosahedral virus by a visible ultrashort pulsed laser

    PubMed Central

    2014-01-01

    Background Low-power ultrashort pulsed (USP) lasers operating at wavelengths of 425 nm and near infrared region have been shown to effectively inactivate viruses such as human immunodeficiency virus (HIV), M13 bacteriophage, and murine cytomegalovirus (MCMV). It was shown previously that non-enveloped, helical viruses such as M13 bacteriophage, were inactivated by a USP laser through an impulsive stimulated Raman scattering (ISRS) process. Recently, enveloped virus like MCMV has been shown to be inactivated by a USP laser via protein aggregation induced by an ISRS process. However, the inactivation mechanism for a clinically important class of viruses – non-enveloped, icosahedral viruses remains unknown. Results and discussions We have ruled out the following four possible inactivation mechanisms for non-enveloped, icosahedral viruses, namely, (1) inactivation due to ultraviolet C (UVC) photons produced by non-linear optical process of the intense, fundamental laser beam at 425 nm; (2) inactivation caused by thermal heating generated by the direct laser absorption/heating of the virion; (3) inactivation resulting from a one-photon absorption process via chromophores such as porphyrin molecules, or indicator dyes, potentially producing reactive oxygen or other species; (4) inactivation by the USP lasers in which the extremely intense laser pulse produces shock wave-like vibrations upon impact with the viral particle. We present data which support that the inactivation mechanism for non-enveloped, icosahedral viruses is the impulsive stimulated Raman scattering process. Real-time PCR experiments show that, within the amplicon size of 273 bp tested, there is no damage on the genome of MNV-1 caused by the USP laser irradiation. Conclusion We conclude that our model non-enveloped virus, MNV-1, is inactivated by the ISRS process. These studies provide fundamental knowledge on photon-virus interactions on femtosecond time scales. From the analysis of the transmission

  13. Medium-range icosahedral order in quasicrystal-forming Zr{sub 2}Pd binary metallic glass

    SciTech Connect

    Huang Li; Fang, X. W.; Wang, C. Z.; Ho, K. M.; Kramer, M. J.; Ding, Z. J.

    2011-06-06

    Medium-range order in Zr{sub 2}Pd metallic glass was studied using a combination of x-ray diffraction experiment and atomistic simulations. We show that, in contrast to earlier experimental interpretations, the icosahedral-like polyhedron is centered around Pd, rather than Zr. Furthermore, we find that the ordered icosahedral packing around Pd extends to the third shell in the way similar to that in the Bergman-type clusters. The existence of Bergman-type clusters sheds interesting light into the formation of nanoquasicrystal phase during crystallization process of Zr{sub 2}Pd metallic glass.

  14. A Vertically Flow-Following, Icosahedral Grid Model for Medium-Range and Seasonal Prediction. Part 1: Model Description

    NASA Technical Reports Server (NTRS)

    Bleck, Rainer; Bao, Jian-Wen; Benjamin, Stanley G.; Brown, John M.; Fiorino, Michael; Henderson, Thomas B.; Lee, Jin-Luen; MacDonald, Alexander E.; Madden, Paul; Middlecoff, Jacques; Rosinski, James; Smirnova, Tanya G.; Sun, Shan; Wang, Ning

    2015-01-01

    A hydrostatic global weather prediction model based on an icosahedral horizontal grid and a hybrid terrain following/ isentropic vertical coordinate is described. The model is an extension to three spatial dimensions of a previously developed, icosahedral, shallow-water model featuring user-selectable horizontal resolution and employing indirect addressing techniques. The vertical grid is adaptive to maximize the portion of the atmosphere mapped into the isentropic coordinate subdomain. The model, best described as a stacked shallow-water model, is being tested extensively on real-time medium-range forecasts to ready it for possible inclusion in operational multimodel ensembles for medium-range to seasonal prediction.

  15. Coupled ocean-atmosphere modeling on horizontally icosahedral and vertically hybrid-isentropic/isopycnic grids.

    NASA Astrophysics Data System (ADS)

    Bleck, Rainer; Sun, Shan; Li, Haiqin; Benjamin, Stan

    2016-04-01

    Current efforts to close the gap between weather prediction and climate models have led to the construction of a coupled ocean-atmosphere system consisting of two high-resolution component models, operating on matching icosahedral grids and utilizing adaptive, near-isentropic/isopycnic vertical coordinates. The two components models, FIM and HYCOM (the latter converted to an icosahedral mesh for this purpose), have been tested extensively in twice-daily global medium-range weather prediction (http://fim.noaa.gov) and in real-time ocean data assimilation (http://hycom.org), respectively. The use of matching horizontal grids, currently at resolutions of 15km, 30km and 60km, avoids coastline ambiguities and interpolation errors at the air-sea interface. The intended purpose of the coupled model being subseasonal-to-seasonal prediction, our focus is on mid-term precipitation biases and the statistical steadiness of the atmospheric circulation (blocking frequency, Rossby wave breaking, meridional heat transport, etc.), as well as on possible causes of ocean model drift. An attempt is made to isolate the weather model's role in modifying water mass properties and ocean circulations (including meridional overturning) by comparing coupled model results to ocean-only experiments forced by observed atmospheric boundary conditions. A multi-decadal run at 60km resolution is used to illustrate ENSO variability in the coupled system.

  16. Hierarchy of bond stiffnesses within icosahedral-based gold clusters protected by thiolates

    PubMed Central

    Yamazoe, Seiji; Takano, Shinjiro; Kurashige, Wataru; Yokoyama, Toshihiko; Nitta, Kiyofumi; Negishi, Yuichi; Tsukuda, Tatsuya

    2016-01-01

    Unique thermal properties of metal clusters are believed to originate from the hierarchy of the bonding. However, an atomic-level understanding of how the bond stiffnesses are affected by the atomic packing of a metal cluster and the interfacial structure with the surrounding environment has not been attained to date. Here we elucidate the hierarchy in the bond stiffness in thiolate-protected, icosahedral-based gold clusters Au25(SC2H4Ph)18, Au38(SC2H4Ph)24 and Au144(SC2H4Ph)60 by analysing Au L3-edge extended X-ray absorption fine structure data. The Au–Au bonds have different stiffnesses depending on their lengths. The long Au–Au bonds, which are more flexible than those in the bulk metal, are located at the icosahedral-based gold core surface. The short Au–Au bonds, which are stiffer than those in the bulk metal, are mainly distributed along the radial direction and form a cyclic structural backbone with the rigid Au–SR oligomers. PMID:26778685

  17. Hierarchy of bond stiffnesses within icosahedral-based gold clusters protected by thiolates.

    PubMed

    Yamazoe, Seiji; Takano, Shinjiro; Kurashige, Wataru; Yokoyama, Toshihiko; Nitta, Kiyofumi; Negishi, Yuichi; Tsukuda, Tatsuya

    2016-01-01

    Unique thermal properties of metal clusters are believed to originate from the hierarchy of the bonding. However, an atomic-level understanding of how the bond stiffnesses are affected by the atomic packing of a metal cluster and the interfacial structure with the surrounding environment has not been attained to date. Here we elucidate the hierarchy in the bond stiffness in thiolate-protected, icosahedral-based gold clusters Au25(SC2H4Ph)18, Au38(SC2H4Ph)24 and Au144(SC2H4Ph)60 by analysing Au L3-edge extended X-ray absorption fine structure data. The Au-Au bonds have different stiffnesses depending on their lengths. The long Au-Au bonds, which are more flexible than those in the bulk metal, are located at the icosahedral-based gold core surface. The short Au-Au bonds, which are stiffer than those in the bulk metal, are mainly distributed along the radial direction and form a cyclic structural backbone with the rigid Au-SR oligomers. PMID:26778685

  18. Symmetries in Physics

    NASA Astrophysics Data System (ADS)

    Brading, Katherine; Castellani, Elena

    2003-12-01

    Preface; Copyright acknowledgements; List of contributors; 1. Introduction; Part I. Continuous Symmetries: 2. Classic texts: extracts from Weyl and Wigner; 3. Review paper: On the significance of continuous symmetry to the foundations of physics C. Martin; 4. The philosophical roots of the gauge principle: Weyl and transcendental phenomenological idealism T. Ryckman; 5. Symmetries and Noether's theorems K. A. Brading and H. R. Brown; 6. General covariance, gauge theories, and the Kretschmann objection J. Norton; 7. The interpretation of gauge symmetry M. Redhead; 8. Tracking down gauge: an ode to the constrained Hamiltonian formalism J. Earman; 9. Time-dependent symmetries: the link between gauge symmetries and indeterminism D. Wallace; 10. A fourth way to the Aharanov-Bohm effect A. Nounou; Part II. Discrete Symmetries: 11. Classic texts: extracts from Lebniz, Kant and Black; 12. Review paper: Understanding permutation symmetry S. French and D. Rickles; 13. Quarticles and the identity of discernibles N. Hugget; 14. Review paper: Handedness, parity violation, and the reality of space O. Pooley; 15. Mirror symmetry: what is it for a relational space to be orientable? N. Huggett; 16. Physics and Leibniz's principles S. Saunders; Part III. Symmetry Breaking: 17: Classic texts: extracts from Curie and Weyl; 18. Extract from G. Jona-Lasinio: Cross-fertilization in theoretical physics: the case of condensed matter and particle physics G. Jona-Lasinio; 19. Review paper: On the meaning of symmetry breaking E. Castellani; 20. Rough guide to spontaneous symmetry breaking J. Earman; 21. Spontaneous symmetry breaking: theoretical arguments and philosophical problems M. Morrison; Part IV. General Interpretative Issues: 22. Classic texts: extracts from Wigner; 23. Symmetry as a guide to superfluous theoretical structure J. Ismael and B. van Fraassen; 24. Notes on symmetries G. Belot; 25. Symmetry, objectivity, and design P. Kosso; 26. Symmetry and equivalence E. Castellani.

  19. Symmetries in Physics

    NASA Astrophysics Data System (ADS)

    Brading, Katherine; Castellani, Elena

    2010-01-01

    Preface; Copyright acknowledgements; List of contributors; 1. Introduction; Part I. Continuous Symmetries: 2. Classic texts: extracts from Weyl and Wigner; 3. Review paper: On the significance of continuous symmetry to the foundations of physics C. Martin; 4. The philosophical roots of the gauge principle: Weyl and transcendental phenomenological idealism T. Ryckman; 5. Symmetries and Noether's theorems K. A. Brading and H. R. Brown; 6. General covariance, gauge theories, and the Kretschmann objection J. Norton; 7. The interpretation of gauge symmetry M. Redhead; 8. Tracking down gauge: an ode to the constrained Hamiltonian formalism J. Earman; 9. Time-dependent symmetries: the link between gauge symmetries and indeterminism D. Wallace; 10. A fourth way to the Aharanov-Bohm effect A. Nounou; Part II. Discrete Symmetries: 11. Classic texts: extracts from Lebniz, Kant and Black; 12. Review paper: Understanding permutation symmetry S. French and D. Rickles; 13. Quarticles and the identity of discernibles N. Hugget; 14. Review paper: Handedness, parity violation, and the reality of space O. Pooley; 15. Mirror symmetry: what is it for a relational space to be orientable? N. Huggett; 16. Physics and Leibniz's principles S. Saunders; Part III. Symmetry Breaking: 17: Classic texts: extracts from Curie and Weyl; 18. Extract from G. Jona-Lasinio: Cross-fertilization in theoretical physics: the case of condensed matter and particle physics G. Jona-Lasinio; 19. Review paper: On the meaning of symmetry breaking E. Castellani; 20. Rough guide to spontaneous symmetry breaking J. Earman; 21. Spontaneous symmetry breaking: theoretical arguments and philosophical problems M. Morrison; Part IV. General Interpretative Issues: 22. Classic texts: extracts from Wigner; 23. Symmetry as a guide to superfluous theoretical structure J. Ismael and B. van Fraassen; 24. Notes on symmetries G. Belot; 25. Symmetry, objectivity, and design P. Kosso; 26. Symmetry and equivalence E. Castellani.

  20. Geometric intrinsic symmetries

    SciTech Connect

    Gozdz, A. Szulerecka, A.; Pedrak, A.

    2013-08-15

    The problem of geometric symmetries in the intrinsic frame of a many-body system (nucleus) is considered. An importance of symmetrization group notion is discussed. Ageneral structure of the intrinsic symmetry group structure is determined.

  1. Approximate flavor symmetries

    SciTech Connect

    Rasin, A.

    1994-04-01

    We discuss the idea of approximate flavor symmetries. Relations between approximate flavor symmetries and natural flavor conservation and democracy models is explored. Implications for neutrino physics are also discussed.

  2. Neutrinos and flavor symmetries

    SciTech Connect

    Tanimoto, Morimitsu

    2015-07-15

    We discuss the recent progress of flavor models with the non-Abelian discrete symmetry in the lepton sector focusing on the θ{sub 13} and CP violating phase. In both direct approach and indirect approach of the flavor symmetry, the non-vanishing θ{sub 13} is predictable. The flavor symmetry with the generalised CP symmetry can also predicts the CP violating phase. We show the phenomenological analyses of neutrino mixing for the typical flavor models.

  3. Polynomial Graphs and Symmetry

    ERIC Educational Resources Information Center

    Goehle, Geoff; Kobayashi, Mitsuo

    2013-01-01

    Most quadratic functions are not even, but every parabola has symmetry with respect to some vertical line. Similarly, every cubic has rotational symmetry with respect to some point, though most cubics are not odd. We show that every polynomial has at most one point of symmetry and give conditions under which the polynomial has rotational or…

  4. Chiral symmetry and chiral-symmetry breaking

    SciTech Connect

    Peskin, M.E.

    1982-12-01

    These lectures concern the dynamics of fermions in strong interaction with gauge fields. Systems of fermions coupled by gauge forces have a very rich structure of global symmetries, which are called chiral symmetries. These lectures will focus on the realization of chiral symmetries and the causes and consequences of thier spontaneous breaking. A brief introduction to the basic formalism and concepts of chiral symmetry breaking is given, then some explicit calculations of chiral symmetry breaking in gauge theories are given, treating first parity-invariant and then chiral models. These calculations are meant to be illustrative rather than accurate; they make use of unjustified mathematical approximations which serve to make the physics more clear. Some formal constraints on chiral symmetry breaking are discussed which illuminate and extend the results of our more explicit analysis. Finally, a brief review of the phenomenological theory of chiral symmetry breaking is presented, and some applications of this theory to problems in weak-interaction physics are discussed. (WHK)

  5. The Three-Dimensional Finite-Volume Non-Hydrostatic Icosahedral Model (NIM)

    NASA Astrophysics Data System (ADS)

    Lee, J. L.; MacDonald, A. E.

    2014-12-01

    A multi-scales Non-hydrostatic Icosahedral Model (NIM) has been developed at Earth System Research Laboratory (ESRL) to meet NOAA's future prediction mission ranging from mesoscale short-range, high-impact weather forecasts to longer-term intra-seasonal climate prediction. NIM formulates the latest numerical innovation of the three-dimensional finite-volume control volume on the quasi-uniform icosahedral grid suitable for ultra-high resolution simulations. NIM is designed to utilize the state-of-art computing architecture such as Graphic Processing Units (GPU) processors to run globally at kilometer scale resolution to explicitly resolve convective storms and complex terrains. The novel features of NIM numerical design include: 1.1. A local coordinate system upon which finite-volume integrations are undertaken. The use of a local Cartesian coordinate greatly simplifies the mathematic formulation of the finite-volume operators and leads to the finite-volume integration along straight lines on the plane, rather than along curved lines on the spherical surface. 1.2. A general indirect addressing scheme developed for modeling on irregular grid. It arranges the icosahedral grid with a one-dimensional vector loop structure, table specified memory order, and an indirect addressing scheme that yields very compact code despite the complexities of this grid. 1.3. Use of three-dimensional finite-volume integration over control volumes constructed on the height coordinates. Three-dimensional finite-volume integration accurately represents the Newton Third Law over terrain and improves pressure gradient force over complex terrain. 1.4. Use of the Runge-Kutta 4th order conservative and positive-definite transport scheme 1.5. NIM dynamical solver has been implemented on CPU as well as GPU. As one of the potential candidates for NWS next generation models, NIM dynamical core has been successfully verified with various benchmark test cases including those proposed by DCMIP

  6. Performance Analysis of high-order remap-type advection scheme on icosahedral-hexagonal grid

    NASA Astrophysics Data System (ADS)

    Mittal, Rashmi; Dubey, Sarvesh; Saxena, Vaibhav; Meurdesoif, Yann

    2014-05-01

    A comparative performance analysis on computational cost of second order advection schemes FF-CSLAM (Flux form conservative semi-Lagrangian multi-tracer transport scheme) and it's two simplifications on Icosahedral grid has been presented. Tracer transport is one of the main building blocks in atmospheric models and hence their performance greatly determines the overall performance of the model. FF-CSLAM falls in the category of arbitrary Lagrangian Eulerian (ALE) scheme. It exploits the finite volume formulation and therefore it is inherently conservative. Flux-area through edges are approximated with great circle arcs in an upwind fashion. Bi-quadratic sub-grid scale reconstructions using weighted least-squares method is employed to approximate trace field. Area integrals on the overlapped region of flux-area and static Eulerian meshes are evaluated via line-integrals. A brief description of implementation of FF-CSLAM on icosahedral -hexagonal meshes along with and its numerical accuracy in terms of standard test cases will be presented. A comparative analysis of the computational overhead is necessary to assess the suitability of FF-CSLAM for massively parallel and multi-threading computer architectures in comparison to other advection schemes implemented on icosahedral grids. The main focus of this work is to present the implementation of the shared memory parallelization and to describe the memory access pattern of the numerical scheme. FF-CSLAM is a remap-type advection scheme, thus extra calculation are done in comparison to the other advection schemes. The additional computations are associated with the search required to find the overlap area between the area swept through the edge and the underlining grid. But the experiments shows that the associated computational overhead is minimal for multi-tracer transport. It will be shown that for the Courant Number less than one, FF-CSLAM, the computations are not expensive. Since the grid cells are arranged in

  7. Terrace-dependent nucleation of small Ag clusters on a five-fold icosahedral quasicrystal surface

    SciTech Connect

    Unal, B.; Evans, J.W.; Lograsso, T.A.; Ross, A.R.; Jenks, C.J.; Thiel, P.A.

    2007-07-21

    Nucleation of Ag islands on the five-fold surface of icosahedral Al-Pd-Mn is influenced strongly by trap sites. Submonolayers of Ag prepared by deposition at 365 K and with a flux of 1 x 10{sup -3} monolayers/s exhibit a variation in Ag island densities across different terraces. Comparisons with previous work and with rate equation analysis indicate that trap sites are not saturated under these experimental conditions and that the difference in island densities is not necessarily due to variation in trap densities. While it could have a number of different origins, our results point to a terrace-dependent value of the effective diffusion barrier for Ag adatoms.

  8. Thermal Conductivity and Seebeck Coefficients of Icosahedral Boron Arsenide Films on Silicon Carbide

    SciTech Connect

    Y Gong; Y Zhang; M Dudley; Y Zhang; J Edgar; P Heard; M Kuball

    2011-12-31

    The thermal conductivity of icosahedral boron arsenide (B{sub 12}As{sub 2}) films grown on (0001) 6H-SiC substrates by chemical vapor deposition was studied by the 3{omega} technique. The room temperature thermal conductivity decreased from 27.0 to 15.3 W/m K as the growth temperature was decreased from 1450 to 1275 C. This is mainly attributed to the differences in the impurity concentration and microstructure, determined from secondary ion mass spectrometry and high resolution transmission electron microscopy, respectively. Callaway's theory was applied to calculate the temperature-dependent thermal conductivity, and the results are in good agreement with the experimental data. Seebeck coefficients were determined as 107 {micro}V/K and 136 {micro}V/K for samples grown at 1350 C with AsH{sub 3}/B{sub 2}H{sub 6} flow ratio equals to 1:1 and 3:5, respectively.

  9. Defining criteria for oligomannose immunogens for HIV using icosahedral virus capsid scaffolds.

    PubMed

    Astronomo, Rena D; Kaltgrad, Eiton; Udit, Andrew K; Wang, Sheng-Kai; Doores, Katie J; Huang, Cheng-Yuan; Pantophlet, Ralph; Paulson, James C; Wong, Chi-Huey; Finn, M G; Burton, Dennis R

    2010-04-23

    The broadly neutralizing antibody 2G12 recognizes a conserved cluster of high-mannose glycans on the surface envelope spike of HIV, suggesting that the "glycan shield" defense of the virus can be breached and may, under the right circumstances, serve as a vaccine target. In an attempt to recreate features of the glycan shield semisynthetically, oligomannosides were coupled to surface lysines on the icosahedral capsids of bacteriophage Q beta and cowpea mosaic virus (CPMV). The Q beta glycoconjugates, but not CPMV, presented oligomannose clusters that bind the antibody 2G12 with high affinity. However, antibodies against these 2G12 epitopes were not detected in immunized rabbits. Rather, alternative oligomannose epitopes on the conjugates were immunodominant and elicited high titers of anti-mannose antibodies that do not crossreact with the HIV envelope. The results presented reveal important design considerations for a carbohydrate-based vaccine component for HIV. PMID:20416507

  10. Reinvestigation of long-range magnetic ordering in icosahedral Tb-Mg-Zn

    NASA Astrophysics Data System (ADS)

    Islam, Z.; Fisher, I. R.; Zarestky, J.; Canfield, P. C.; Stassis, C.; Goldman, A. I.

    1998-05-01

    We present results of a study of possible magnetic ordering in the icosahedral phase of Tb-Mg-Zn probed by bulk magnetization measurements and neutron diffraction. Measurements on both crushed single grains and cast polycrystalline samples of Tb-Mg-Zn were performed. Magnetization measurements on both samples reveal only a spin-glass-like transition at approximately 5.8 K. Neutron diffraction from the crushed single grains reveals only short-range magnetic ordering at low temperatures, with no evidence of the long-range magnetic ordering reported previously [Charrier, Ouladdiaf, and Schmitt, Phys. Rev. Lett. 78, 4637 (1997)]. Likewise, the cast polycrystalline samples exhibit primarily diffuse magnetic scattering at low temperature, but at least one relatively sharp diffraction peak was observed. Our results indicate that for single grain samples there is no long-range magnetic ordering and that, at best, the magnetic ordering in these quasicrystalline alloys is not very robust.

  11. Observation of Quasimagnetic Structures in Rare-Earth-Based Icosahedral Quasicrystals

    SciTech Connect

    Charrier, B.; Schmitt, D.; Ouladdiaf, B.

    1997-06-01

    The first observation of long-range quasiperiodic antiferromagnetic structures in quasicrystals, namely the heavy rare-earth-based icosahedral R{sub 8}Mg{sub 42}Zn{sub 50} compounds (R=Tb , Dy, Ho, Er), is reported. This {ital quasimagnetic} ordering is characterized by the propagation vector {bold Q}=((1)/(4),0,0,0,0,0) in the six-dimensional notation. Simultaneously, broad magnetic peaks appear in the neutron diffraction patterns, characteristic of a short-range ordering. The coexistence of two different magnetic correlation lengths suggests the presence of two types of crystallographic sites for the rare-earth atoms. {copyright} {ital 1997} {ital The American Physical Society}

  12. Statistical analysis of the formation of icosahedral metallic nanowires under stretching

    NASA Astrophysics Data System (ADS)

    Peláez, S.; Serena, P. A.; García-Mochales, P.; Paredes, R.; Guerrero, C.

    2009-01-01

    Icosahedral or pentagonal nanowires are formed by subsequent staggered parallel pentagonal rings (with a relative rotation of π/5) connected with single atoms, showing a characteristic -5-1-5-1- ordering. These structures have been found on simulated nanowires of different species [1-3]. However, the statistical study of their formation from stretching of metallic samples has been only addressed for Ni up to date [3,4]. In this work we present an algorithm that allows the automatic identification of pentagonal ring structures. With this methodology we are able to differentiate pentagonal and non-pentagonal regions along the nanowire axis, as well as their lengths. We have obtained for many different nanowires (Al, Ni and Cu, hundreds of ruptures with different crystalline orientations, sizes and temperatures), the distribution of lengths of the pentagonal region Lp as well as the distribution of the number of pentagonal rings np before the nanowire breaks.

  13. Reinterpretation of the zero-temperature conductivity in icosahedral AlPdRe

    NASA Astrophysics Data System (ADS)

    Rapp, Ö.

    2016-07-01

    The zero-temperature conductivity σ (0 ) of icosahedral (i )-AlPdRe has been found to be simply related to the resistance ratio R =ρ4.2 K/ρ295 K by a power law, σ (0 ) ˜R-1.74 , over four orders of magnitude in σ (0 ) . This relation includes metallic single grain samples, and polygrain samples of different morphologies which are metallic for small R values, and insulatinglike at large R . Electronic transport properties of single grain i -AlPdRe samples are thus found to be on common ground with polygrain i -AlPdRe. The relation between R and σ (0 ) can be qualitatively understood from published band-structure calculations on quasicrystalline approximants.

  14. Development of a genetic system for the archaeal virus Sulfolobus turreted icosahedral virus (STIV).

    PubMed

    Wirth, Jennifer Fulton; Snyder, Jamie C; Hochstein, Rebecca A; Ortmann, Alice C; Willits, Deborah A; Douglas, Trevor; Young, Mark J

    2011-06-20

    Our understanding of archaeal viruses has been limited by the lack of genetic systems for examining viral function. We describe the construction of an infectious clone for the archaeal virus Sulfolobus turreted icosahedral virus (STIV). STIV was isolated from a high temperature (82°C) acidic (pH 2.2) hot spring in Yellowstone National Park and replicates in the archaeal model organism Sulfolobus solfataricus (Rice et al., 2004). While STIV is one of most studied archaeal viruses, little is known about its replication cycle. The development of an STIV infectious clone allows for directed gene disruptions and detailed genetic analysis of the virus. The utility of the STIV infectious clone was demonstrated by gene disruption of STIV open reading frame (ORF) B116 which resulted in crippled virus replication, while disruption of ORFs A197, C381 and B345 was lethal for virus replication. PMID:21496857

  15. Thirty-thousand-year-old distant relative of giant icosahedral DNA viruses with a pandoravirus morphology.

    PubMed

    Legendre, Matthieu; Bartoli, Julia; Shmakova, Lyubov; Jeudy, Sandra; Labadie, Karine; Adrait, Annie; Lescot, Magali; Poirot, Olivier; Bertaux, Lionel; Bruley, Christophe; Couté, Yohann; Rivkina, Elizaveta; Abergel, Chantal; Claverie, Jean-Michel

    2014-03-18

    The largest known DNA viruses infect Acanthamoeba and belong to two markedly different families. The Megaviridae exhibit pseudo-icosahedral virions up to 0.7 μm in diameter and adenine-thymine (AT)-rich genomes of up to 1.25 Mb encoding a thousand proteins. Like their Mimivirus prototype discovered 10 y ago, they entirely replicate within cytoplasmic virion factories. In contrast, the recently discovered Pandoraviruses exhibit larger amphora-shaped virions 1 μm in length and guanine-cytosine-rich genomes up to 2.8 Mb long encoding up to 2,500 proteins. Their replication involves the host nucleus. Whereas the Megaviridae share some general features with the previously described icosahedral large DNA viruses, the Pandoraviruses appear unrelated to them. Here we report the discovery of a third type of giant virus combining an even larger pandoravirus-like particle 1.5 μm in length with a surprisingly smaller 600 kb AT-rich genome, a gene content more similar to Iridoviruses and Marseillevirus, and a fully cytoplasmic replication reminiscent of the Megaviridae. This suggests that pandoravirus-like particles may be associated with a variety of virus families more diverse than previously envisioned. This giant virus, named Pithovirus sibericum, was isolated from a >30,000-y-old radiocarbon-dated sample when we initiated a survey of the virome of Siberian permafrost. The revival of such an ancestral amoeba-infecting virus used as a safe indicator of the possible presence of pathogenic DNA viruses, suggests that the thawing of permafrost either from global warming or industrial exploitation of circumpolar regions might not be exempt from future threats to human or animal health. PMID:24591590

  16. DYNAMICO-1.0, an icosahedral hydrostatic dynamical core designed for consistency and versatility

    NASA Astrophysics Data System (ADS)

    Dubos, T.; Dubey, S.; Tort, M.; Mittal, R.; Meurdesoif, Y.; Hourdin, F.

    2015-10-01

    The design of the icosahedral dynamical core DYNAMICO is presented. DYNAMICO solves the multi-layer rotating shallow-water equations, a compressible variant of the same equivalent to a discretization of the hydrostatic primitive equations in a Lagrangian vertical coordinate, and the primitive equations in a hybrid mass-based vertical coordinate. The common Hamiltonian structure of these sets of equations is exploited to formulate energy-conserving spatial discretizations in a unified way. The horizontal mesh is a quasi-uniform icosahedral C-grid obtained by subdivision of a regular icosahedron. Control volumes for mass, tracers and entropy/potential temperature are the hexagonal cells of the Voronoi mesh to avoid the fast numerical modes of the triangular C-grid. The horizontal discretization is that of Ringler et al. (2010), whose discrete quasi-Hamiltonian structure is identified. The prognostic variables are arranged vertically on a Lorenz grid with all thermodynamical variables collocated with mass. The vertical discretization is obtained from the three-dimensional Hamiltonian formulation. Tracers are transported using a second-order finite-volume scheme with slope limiting for positivity. Explicit Runge-Kutta time integration is used for dynamics, and forward-in-time integration with horizontal/vertical splitting is used for tracers. Most of the model code is common to the three sets of equations solved, making it easier to develop and validate each piece of the model separately. Representative three-dimensional test cases are run and analyzed, showing correctness of the model. The design permits to consider several extensions in the near future, from higher-order transport to more general dynamics, especially deep-atmosphere and non-hydrostatic equations.

  17. Thirty-thousand-year-old distant relative of giant icosahedral DNA viruses with a pandoravirus morphology

    PubMed Central

    Legendre, Matthieu; Bartoli, Julia; Shmakova, Lyubov; Jeudy, Sandra; Labadie, Karine; Adrait, Annie; Lescot, Magali; Poirot, Olivier; Bertaux, Lionel; Bruley, Christophe; Couté, Yohann; Rivkina, Elizaveta; Abergel, Chantal; Claverie, Jean-Michel

    2014-01-01

    The largest known DNA viruses infect Acanthamoeba and belong to two markedly different families. The Megaviridae exhibit pseudo-icosahedral virions up to 0.7 μm in diameter and adenine–thymine (AT)-rich genomes of up to 1.25 Mb encoding a thousand proteins. Like their Mimivirus prototype discovered 10 y ago, they entirely replicate within cytoplasmic virion factories. In contrast, the recently discovered Pandoraviruses exhibit larger amphora-shaped virions 1 μm in length and guanine–cytosine-rich genomes up to 2.8 Mb long encoding up to 2,500 proteins. Their replication involves the host nucleus. Whereas the Megaviridae share some general features with the previously described icosahedral large DNA viruses, the Pandoraviruses appear unrelated to them. Here we report the discovery of a third type of giant virus combining an even larger pandoravirus-like particle 1.5 μm in length with a surprisingly smaller 600 kb AT-rich genome, a gene content more similar to Iridoviruses and Marseillevirus, and a fully cytoplasmic replication reminiscent of the Megaviridae. This suggests that pandoravirus-like particles may be associated with a variety of virus families more diverse than previously envisioned. This giant virus, named Pithovirus sibericum, was isolated from a >30,000-y-old radiocarbon-dated sample when we initiated a survey of the virome of Siberian permafrost. The revival of such an ancestral amoeba-infecting virus used as a safe indicator of the possible presence of pathogenic DNA viruses, suggests that the thawing of permafrost either from global warming or industrial exploitation of circumpolar regions might not be exempt from future threats to human or animal health. PMID:24591590

  18. Classification of stable Dirac and Weyl semimetals with reflection and rotational symmetry

    NASA Astrophysics Data System (ADS)

    Gao, Zihao; Hua, Meng; Zhang, Haijun; Zhang, Xiao

    2016-05-01

    Three-dimensional (3D) Dirac and Weyl semimetals are novel states of quantum matter. We classify stable 3D Dirac and Weyl semimetals with reflection and rotational symmetry in the presence of time reversal symmetry and spin-orbit coupling, which belong to seventeen different point groups. They have two classes of reflection symmetry, with the mirror plane parallel and perpendicular to rotation axis. In both cases two types of Dirac points, existing through accidental band crossing (ABC) or at a time reversal invariant momentum (TBC), are determined by four different reflection symmetries. We classify those two types of Dirac points with a combination of different reflection and rotational symmetries. We further classify Dirac and Weyl line nodes to show in which types of mirror plane they can exist. Finally we discuss that Weyl line nodes and Dirac points can exist at the same time taking C4 v symmetry as an example.

  19. Multiporous carbon allotropes transformed from symmetry-matched carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Cai, Yingxiang; Wang, Hao; Xu, Shengliang; Hu, Yujie; Liu, Ning; Xu, Xuechun

    2016-06-01

    Carbon nanotubes (CNTs) with homogeneous diameters have been proven to transform into new carbon allotropes under pressure but no studies on the compression of inhomogeneous CNTs have been reported. In this study, we propose to build new carbon allotropes from the bottom-up by applying pressure on symmetry-matched inhomogeneous CNTs. We find that the (3,0) CNT with point group C3v and the (6,0) CNT with point group C6v form an all sp3 hybridized hexagonal 3060-Carbon crystal, but the (4,0) CNT with point group D4h and the (8,0) CNT with point group D8h polymerize into a sp2+sp3 hybridized tetragonal 4080-Carbon structure. Their thermodynamic, mechanical and dynamic stabilities show that they are potential carbon allotropes to be experimentally synthesized. The multiporous structures, excellently mechanical properties and special electronic structures (semiconductive 3060-Carbon and semimetallic 4080-Carbon) imply their many potential applications, such as gases purification, hydrogen storage and lightweight semiconductor devices. In addition, we simulate their feature XRD patterns which are helpful for identifying the two carbon crystals in future experimental studies.

  20. The Symmetries of QCD

    ScienceCinema

    Sekhar Chivukula

    2010-01-08

    The symmetries of a quantum field theory can be realized in a variety of ways. Symmetries can be realized explicitly, approximately, through spontaneous symmetry breaking or, via an anomaly, quantum effects can dynamically eliminate a symmetry of the theory that was present at the classical level.  Quantum Chromodynamics (QCD), the modern theory of the strong interactions, exemplify each of these possibilities. The interplay of these effects determine the spectrum of particles that we observe and, ultimately, account for 99% of the mass of ordinary matter. 

  1. Is symmetry informative?

    PubMed

    Gray, J E; Vogt, A

    1997-01-01

    Is symmetry informative? The answer is both yes and no. We examine what information and symmetry are and how they are related. Our approach is primarily mathematical, not because mathematics provides the final word, but because it provides an insightful and relatively precise starting point. Information theory treats transformations that messages undergo from source to destination. Symmetries are information that leave some property of interest unchanged. In this respect the studies of information and symmetry can both be regarded as a Quest for the identity transformation. PMID:9224554

  2. Geometrical symmetries in atomic nuclei: From theory predictions to experimental verifications

    NASA Astrophysics Data System (ADS)

    Dudek, J.; Góźdź, A.; Molique, H.; Curien, D.

    2013-02-01

    In the lectures delivered at the 2012 Predeal School an overview has been presented of the contemporary theory of the nuclear geometrical (shape) symmetries. The formalism combines two most powerful theory tools applicable in the context: The group- and group-representation theory together with the modern realistic mean-field theory. We suggest that all point-groups of symmetry of the mean-field Hamiltonian, sufficiently rich in symmetry elements (as discussed in the text) may lead to the magic numbers that characterise such a group in analogy with the spherical magic gaps characterising nuclear sphericity. We discuss in simple terms the mathematical and physical arguments for the presence of such symmetries in nuclei. In our opinion: It is not so much the question of Whether? - but rather: Where in the Nuclear Chart several of the point group-symmetries will be seen? We focus our presentation on the tetrahedral symmetry with the magic numbers calculated to be 32, 40, 56, 64, 70, 90 and 136, and discuss qualitatively the problem of the formulation of the experimental criteria which would allow for the final discovery of the tetrahedral symmetry in subatomic physics.

  3. Systematic study of the electronic structure and optical properties of icosahedral boron and boron compounds

    NASA Astrophysics Data System (ADS)

    Li, Dong

    1997-11-01

    A systematic study of the electronic structures, total energies and optical properties of B12-based boron and boron-rich compounds and boron oxide compounds has been conducted by the first-principles orthogonalized linear combination of atomic orbitals method. The materials involved are: α-r-B12, B12As2,/ B12P2,/ B11C(CBC)/ (or/ B4C),/ B13C2,/ B12O2,/ (B10Si2)Si2,/ (B10Si2)Si2-I, B2O3-I and B2O3-II. The band structures show that α-r-B12,/ B12As2,/ B12P2,/ B11C(CBC),/ B12O2,/ (B10Si2)Si2, and (B10Si2)Si2-I are semiconductors with band gaps ranging from 1.29 eV to 3.04 eV while B13C2 is a metal with an intrinsic hole at the top of the valence band below a semiconductor-like gap. The study also shows that B2O3-I and B2O3-II are wide gap insulators with calculated LDA gaps of 6.20 eV and 8.85 eV separately. The calculated density of states are resolved into atomic and orbital partial components and the valence-charge distributions are also studied. The natural bonding characteristics in these crystals are illuminated by evaluating the Mulliken effective charges on each atom and overlap populations between pairs of atoms. It is shown that inter-icosahedral bonding is much stronger than the intra-icosahedral bonding in the B12- based crystals. The chain elements in B12As2,/ B12P2,/ (B10Si2)Si2 and (B10Si2)Si2-I donate electrons to the icosahedra, while B11C(CBC),/ B13C2 and B12O2 gain a slight amount of charge in forming strong covalent bonds. For boron oxide compounds, B2O3-II is found to be more ionic than B2O3-I. It is also concluded that the sp2 planar bonding in B2O3-I is stronger than the sp3 tetrahedral bonding in B2O3-II. The bulk moduli of α-r-B12,/ B12As2,/ B12P2,/ B11C(CBC),/ B13C2 and B12O2 are estimated by means of total energy calculation as a function of crystal volume, and are to be considered as upper limits. We have also calculated the interband optical conductivities and the complex dielectric functions. Static dielectric constants for icosahedral

  4. Additional evidence from x-ray powder diffraction patterns that icosahedral quasi-crystals of intermetallic compounds are twinned cubic crystals

    SciTech Connect

    Pauling, L. )

    1988-07-01

    Analysis of the measured values of Q for the weak peaks (small maxima, usually considered to be background fluctuations, noise) on the x-ray powder diffraction curves for 17 rapidly quenched alloys leads directly to the conclusion that they are formed by an 820-atom or 1012-atom primitive cubic structure that by icosahedral twinning produces the so-called icosahedral quasi-crystals.

  5. "Quasi-Antiferromagnetic" Ordering in the R-Mg-Zn Icosahedral Alloys? The Case of Tb-Mg-Zn

    NASA Astrophysics Data System (ADS)

    Goldman, A. I.; Islam, Z.; Fisher, I. R.; Panchula, A. F.; Cheon, K. O.; Canfield, P. C.; Stassis, C.; Zarestky, J.

    1998-03-01

    Recently, it was reported that long-range magnetic ordering was observed in several of the new rare earth containing icosahedral alloys, R-Mg-Zn (R=Tb, Dy, Ho, Er) (B. Charrier et al., Phys. Rev. Lett. 78, 4637, 1997.). At low temperatures, the antiferromagnetic Bragg peaks, while weak, could be indexed to the icosahedral parent phase with good accuracy. In addition, significant magnetic diffuse scattering, indicating only short-range magnetic order, was also observed. However, bulk magnetization measurements have evidenced only a spin-glass transition at low temperatures, and no antiferromagnetic transition. We will report on new neutron scattering measurements of the magnetic order in Tb-Mg-Zn powder samples produced from crushed single-crystals, used to improve sample purity. Our results for these samples show only the diffuse component of the magnetic scattering at low temperature, and no antiferromagnetic Bragg peaks. We will discuss several possibilities for the discrepencies between the two experiments.

  6. A control volume method on an icosahedral grid for numerical integration of the shallow-water equations on the sphere

    SciTech Connect

    Chern, I-Liang

    1994-08-01

    Two versions of a control volume method on a symmetrized icosahedral grid are proposed for solving the shallow-water equations on a sphere. One version expresses of the equations in the 3-D Cartersian coordinate system, while the other expresses the equations in the northern/southern polar sterographic coordinate systems. The pole problem is avoided because of these expressions in both versions and the quasi-homogenity of the icosahedral grid. Truncation errors and convergence tests of the numerical gradient and divergent operators associated with this method are studied. A convergence tests of the numerical gradient and divergent operators associated with this method are studied. A convergence test for a steady zonal flow is demonstrated. Several simulations of Rossby-Haurwitz waves with various numbers are also performed.

  7. Ab initio Ti-Zr-Ni phase diagram predicts stability of icosahedral TiZrNi quasicrystals

    NASA Astrophysics Data System (ADS)

    Hennig, R. G.; Carlsson, A. E.; Kelton, K. F.; Henley, C. L.

    2005-04-01

    The ab initio phase diagram determines the energetic stability of the icosahedral TiZrNi quasicrystal. The complete ab initio zero-temperature ternary phase diagram is constructed from the calculated energies of the elemental, binary and ternary Ti-Zr-Ni phases. For this, the icosahedral i -TiZrNi quasicrystal is approximated by periodic structures of up to 123 atoms/unit cell, based on a decorated-tiling model [R. G. Hennig, K. F. Kelton, A. E. Carlsson, and C. L. Henley, Phys. Rev. B 67, 134202 (2003)]. The approximant structures containing the 45-atom Bergman cluster are nearly degenerate in energy, and are all energetically stable against the competing phases. It is concluded that i -TiZrNi is a ground-state quasicrystal, as it is experimentally the low-temperature phase for its composition.

  8. Symmetry and Interculturality

    ERIC Educational Resources Information Center

    Marchis, Iuliana

    2009-01-01

    Symmetry is one of the fundamental concepts in Geometry. It is a Mathematical concept, which can be very well connected with Art and Ethnography. The aim of the article is to show how to link the geometrical concept symmetry with interculturality. For this mosaics from different countries are used.

  9. Symmetries in Lagrangian Dynamics

    ERIC Educational Resources Information Center

    Ferrario, Carlo; Passerini, Arianna

    2007-01-01

    In the framework of Noether's theorem, a distinction between Lagrangian and dynamical symmetries is made, in order to clarify some aspects neglected by textbooks. An intuitive setting of the concept of invariance of differential equations is presented. The analysis is completed by deriving the symmetry properties in the motion of a charged…

  10. Symmetries of Spectral Problems

    NASA Astrophysics Data System (ADS)

    Shabat, A.

    Deriving abelian KdV and NLS hierarchies, we describe non-abelian symmetries and "pre-Lax" elementary approach to Lax pairs. Discrete symmetries of spectral problems are considered in Sect. 4.2. Here we prove Darboux classical theorem and discuss a modern theory of dressing chains.

  11. Symmetry Effects in Computation

    NASA Astrophysics Data System (ADS)

    Yao, Andrew Chi-Chih

    2008-12-01

    The concept of symmetry has played a key role in the development of modern physics. For example, using symmetry, C.N. Yang and other physicists have greatly advanced our understanding of the fundamental laws of physics. Meanwhile, computer scientists have been pondering why some computational problems seem intractable, while others are easy. Just as in physics, the laws of computation sometimes can only be inferred indirectly by considerations of general principles such as symmetry. The symmetry properties of a function can indeed have a profound effect on how fast the function can be computed. In this talk, we present several elegant and surprising discoveries along this line, made by computer scientists using symmetry as their primary tool. Note from Publisher: This article contains the abstract only.

  12. Icosahedral AlCuFe quasicrystal at high pressure and temperature and its implications for the stability of icosahedrite.

    PubMed

    Stagno, Vincenzo; Bindi, Luca; Shibazaki, Yuki; Tange, Yoshinori; Higo, Yuji; Mao, H-K; Steinhardt, Paul J; Fei, Yingwei

    2014-01-01

    The first natural-occurring quasicrystal, icosahedrite, was recently discovered in the Khatyrka meteorite, a new CV3 carbonaceous chondrite. Its finding raised fundamental questions regarding the effects of pressure and temperature on the kinetic and thermodynamic stability of the quasicrystal structure relative to possible isochemical crystalline or amorphous phases. Although several studies showed the stability at ambient temperature of synthetic icosahedral AlCuFe up to ~35 GPa, the simultaneous effect of temperature and pressure relevant for the formation of icosahedrite has been never investigated so far. Here we present in situ synchrotron X-ray diffraction experiments on synthetic icosahedral AlCuFe using multianvil device to explore possible temperature-induced phase transformations at pressures of 5 GPa and temperature up to 1773 K. Results show the structural stability of i-AlCuFe phase with a negligible effect of pressure on the volumetric thermal expansion properties. In addition, the structural analysis of the recovered sample excludes the transformation of AlCuFe quasicrystalline phase to possible approximant phases, which is in contrast with previous predictions at ambient pressure. Results from this study extend our knowledge on the stability of icosahedral AlCuFe at higher temperature and pressure than previously examined, and provide a new constraint on the stability of icosahedrite. PMID:25070248

  13. Some Aspects of the Implementation of Double Group Symmetry and Electron Correlation in Molecular 4-Component Calculations

    NASA Technical Reports Server (NTRS)

    Dyall, Kenneth G.; Arnold, James O. (Technical Monitor)

    1994-01-01

    The efficient implementation of method for electron correlation in molecular 4-component calculations demands that symmetry be exploited where possible. Algorithms for the construction of matrices and the transformation of integrals over symmetry-adapted basis functions, where the point group is restricted to D(sub 2h) and subgroups, will be presented. The merits of keeping the primitive integrals in the scalar basis will be compared with those of transforming them to the 2-spinor basis.

  14. Valence band structure of the icosahedral Ag-In-Yb quasicrystal

    SciTech Connect

    Sharma, H. R.; Simutis, G.; Dhanak, V. R.; Nugent, P. J.; McGrath, R.; Cui, C.; Shimoda, M.; Tsai, A. P.; Ishii, Y.

    2010-03-01

    The valence band structure of the icosahedral (i) Ag-In-Yb quasicrystal, which is isostructural to the binary i-Cd-Yb system, is investigated by ultraviolet photoemission spectroscopy (UPS). Experimental results are compared with electronic-structure calculations of a cubic approximant of the same phase. UPS spectra from the fivefold, threefold, and twofold i-Ag-In-Yb surfaces reveal that the valence band near to the Fermi level is dominated by Yb 4f-derived states, in agreement with calculations. The spectra also exhibit peaks which are surface core level shifted, caused by changes in the electronic structure in surface layers. Calculations yield a pseudogap in the density of states due to a hybridization of the Yb 5d band with the Ag 5p and In 5p bands. Both experimental and calculated band features are very similar to those of Cd-Yb. The modification of the band structure after surface treatment by sputtering and by oxidation is also studied. Additionally, the work function of i-Ag-In-Yb measured from the width of UPS spectrum is found to be almost unaffected by surface orientation, but increases after sputtering or oxidation.

  15. Atomistic modeling of the low-frequency mechanical modes and Raman spectra of icosahedral virus capsids

    NASA Astrophysics Data System (ADS)

    Dykeman, Eric C.; Sankey, Otto F.

    2010-02-01

    We describe a technique for calculating the low-frequency mechanical modes and frequencies of a large symmetric biological molecule where the eigenvectors of the Hessian matrix are determined with full atomic detail. The method, which follows order N methods used in electronic structure theory, determines the subset of lowest-frequency modes while using group theory to reduce the complexity of the problem. We apply the method to three icosahedral viruses of various T numbers and sizes; the human viruses polio and hepatitis B, and the cowpea chlorotic mottle virus, a plant virus. From the normal-mode eigenvectors, we use a bond polarizability model to predict a low-frequency Raman scattering profile for the viruses. The full atomic detail in the displacement patterns combined with an empirical potential-energy model allows a comparison of the fully atomic normal modes with elastic network models and normal-mode analysis with only dihedral degrees of freedom. We find that coarse-graining normal-mode analysis (particularly the elastic network model) can predict the displacement patterns for the first few (˜10) low-frequency modes that are global and cooperative.

  16. Reinvestigation of long-range magnetic ordering in icosahedral Tb-Mg-Zn

    SciTech Connect

    Islam, Z.; Fisher, I.R.; Zarestky, J.; Canfield, P.C.; Stassis, C.; Goldman, A.I.

    1998-05-01

    We present results of a study of possible magnetic ordering in the icosahedral phase of Tb-Mg-Zn probed by bulk magnetization measurements and neutron diffraction. Measurements on both crushed single grains and cast polycrystalline samples of Tb-Mg-Zn were performed. Magnetization measurements on both samples reveal only a spin-glass-like transition at approximately 5.8K. Neutron diffraction from the crushed single grains reveals only short-range magnetic ordering at low temperatures, with no evidence of the long-range magnetic ordering reported previously [Charrier, Ouladdiaf, and Schmitt, Phys. Rev. Lett. {bold 78}, 4637 (1997)]. Likewise, the cast polycrystalline samples exhibit primarily diffuse magnetic scattering at low temperature, but at least one relatively sharp diffraction peak was observed. Our results indicate that for single grain samples there is no long-range magnetic ordering and that, at best, the magnetic ordering in these quasicrystalline alloys is not very robust. {copyright} {ital 1998} {ital The American Physical Society}

  17. Speculation of equilibrium pressure of Ti36Zr40Ni20Pd4 icosahedral quasicrystal

    NASA Astrophysics Data System (ADS)

    Huang, Huogen; Chen, Liang

    2015-08-01

    Ti-Zr-Ni quasicrystals have been demonstrated to store a large number of hydrogen atoms, which implies strong potential application in hydrogen energy field for them. However, the desorption of hydrogen atoms in the quasicrystals is quite difficult, with the indication of high desorption temperature and slow desorption rate. The shortage limits their use in the field to a large extent. But this kind of quasicrystals might be used in nuclear fusion energy field, because tritium as a coral fuel for nuclear fusion needs tight storage. However, equilibrium pressure at room temperature of Ti-Zr-Ni quasicrystals, important for their application in fusion energy field, has not been clear yet. In this work, we designed a gas-solid reaction system with the pressure resolution of 10-8Pa and carried out hydrogen desorption investigation at different temperatures on Ti36Zr40Ni20Pd4 icosahedral quasicrystal. Based on three Pressure-Composition-Temperature desorption curves, we speculate according to Van't Hoff theory about hydrogen storage that its equilibrium pressure at room temperature could be at the magnitude of 10-6Pa, displaying good stability of hydrogen in the quasicrystal and also implying application prospects in fusion energy field for quasicrystals of this type.

  18. Atomic structure and phason modes of the Sc–Zn icosahedral quasicrystal

    PubMed Central

    Yamada, Tsunetomo; Takakura, Hiroyuki; Euchner, Holger; Pay Gómez, Cesar; Bosak, Alexei; Fertey, Pierre; de Boissieu, Marc

    2016-01-01

    The detailed atomic structure of the binary icosahedral (i) ScZn7.33 quasicrystal has been investigated by means of high-resolution synchrotron single-crystal X-ray diffraction and absolute scale measurements of diffuse scattering. The average atomic structure has been solved using the measured Bragg intensity data based on a six-dimensional model that is isostructural to the i-YbCd5.7 one. The structure is described with a quasiperiodic packing of large Tsai-type rhombic triacontahedron clusters and double Friauf polyhedra (DFP), both resulting from a close-packing of a large (Sc) and a small (Zn) atom. The difference in chemical composition between i-ScZn7.33 and i-YbCd5.7 was found to lie in the icosahedron shell and the DFP where in i-ScZn7.33 chemical disorder occurs on the large atom sites, which induces a significant distortion to the structure units. The intensity in reciprocal space displays a substantial amount of diffuse scattering with anisotropic distribution, located around the strong Bragg peaks, that can be fully interpreted as resulting from phason fluctuations, with a ratio of the phason elastic constants K 2/K 1 = −0.53, i.e. close to a threefold instability limit. This induces a relatively large perpendicular (or phason) Debye–Waller factor, which explains the vanishing of ‘high-Q perp’ reflections. PMID:27437112

  19. Thermal conductivity and Seebeck coefficients of icosahedral boron arsenide films on silicon carbide

    SciTech Connect

    Gong, Y.; Kuball, M.; Zhang, Y.; Dudley, M.; Zhang, Y.; Edgar, J. H.; Heard, P. J.

    2010-10-15

    The thermal conductivity of icosahedral boron arsenide (B{sub 12}As{sub 2}) films grown on (0001) 6H-SiC substrates by chemical vapor deposition was studied by the 3{omega} technique. The room temperature thermal conductivity decreased from 27.0 to 15.3 W/m K as the growth temperature was decreased from 1450 to 1275 deg. C. This is mainly attributed to the differences in the impurity concentration and microstructure, determined from secondary ion mass spectrometry and high resolution transmission electron microscopy, respectively. Callaway's theory was applied to calculate the temperature-dependent thermal conductivity, and the results are in good agreement with the experimental data. Seebeck coefficients were determined as 107 {mu}V/K and 136 {mu}V/K for samples grown at 1350 deg. C with AsH{sub 3}/B{sub 2}H{sub 6} flow ratio equals to 1:1 and 3:5, respectively.

  20. Aspects of emergent symmetries

    NASA Astrophysics Data System (ADS)

    Gomes, Pedro R. S.

    2016-03-01

    These are intended to be review notes on emergent symmetries, i.e. symmetries which manifest themselves in specific sectors of energy in many systems. The emphasis is on the physical aspects rather than computation methods. We include some background material and go through more recent problems in field theory, statistical mechanics and condensed matter. These problems illustrate how some important symmetries, such as Lorentz invariance and supersymmetry, usually believed to be fundamental, can arise naturally in low-energy regimes of systems involving a large number of degrees of freedom. The aim is to discuss how these examples could help us to face other complex and fundamental problems.

  1. Sequential flavor symmetry breaking

    SciTech Connect

    Feldmann, Thorsten; Jung, Martin; Mannel, Thomas

    2009-08-01

    The gauge sector of the standard model exhibits a flavor symmetry that allows for independent unitary transformations of the fermion multiplets. In the standard model the flavor symmetry is broken by the Yukawa couplings to the Higgs boson, and the resulting fermion masses and mixing angles show a pronounced hierarchy. In this work we connect the observed hierarchy to a sequence of intermediate effective theories, where the flavor symmetries are broken in a stepwise fashion by vacuum expectation values of suitably constructed spurion fields. We identify the possible scenarios in the quark sector and discuss some implications of this approach.

  2. Symmetry broken and restored coupled-cluster theory: I. Rotational symmetry and angular momentum

    NASA Astrophysics Data System (ADS)

    Duguet, T.

    2015-02-01

    We extend coupled-cluster (CC) theory performed on top of a Slater determinant breaking rotational symmetry to allow for the exact restoration of the angular momentum at any truncation order. The main objective relates to the description of near-degenerate finite quantum systems with an open-shell character. As such, the newly developed many-body formalism offers a wealth of potential applications and further extensions dedicated to the ab initio description of, e.g., doubly open-shell atomic nuclei and molecule dissociation. The formalism, which encompasses both single-reference CC theory and projected Hartree-Fock theory as particular cases, permits the computation of usual sets of connected diagrams while consistently incorporating static correlations through the highly non-perturbative restoration of rotational symmetry. Interestingly, the yrast spectroscopy of the system, i.e. the lowest energy associated with each angular momentum, is accessed within a single calculation. A key difficulty presently overcome relates to the necessity to handle generalized energy and norm kernels for which naturally terminating CC expansions could be eventually obtained. The present work focuses on SU(2) but can be extended to any (locally) compact Lie group and to discrete groups, such as most point groups. In particular, the formalism will be soon generalized to U(1) symmetry associated with particle number conservation. This is relevant to Bogoliubov CC theory that was recently applied to singly open-shell nuclei.

  3. Animal Gaits and Symmetry

    NASA Astrophysics Data System (ADS)

    Golubitsky, Martin

    2012-04-01

    Many gaits of four-legged animals are described by symmetry. For example, when a horse paces it moves both left legs in unison and then both right legs and so on. The motion is described by two symmetries: Interchange front and back legs, and swap left and right legs with a half-period phase shift. Biologists postulate the existence of a central pattern generator (CPG) in the neuronal system that sends periodic signals to the legs. CPGs can be thought of as electrical circuits that produce periodic signals and can be modeled by systems with symmetry. In this lecture we discuss animal gaits; use gait symmetries to construct a simplest CPG architecture that naturally produces quadrupedal gait rhythms; and make several testable predictions about gaits.

  4. Dynamical spacetime symmetry

    NASA Astrophysics Data System (ADS)

    Lovelady, Benjamin C.; Wheeler, James T.

    2016-04-01

    According to the Coleman-Mandula theorem, any gauge theory of gravity combined with an internal symmetry based on a Lie group must take the form of a direct product in order to be consistent with basic assumptions of quantum field theory. However, we show that an alternative gauging of a simple group can lead dynamically to a spacetime with compact internal symmetry. The biconformal gauging of the conformal symmetry of n-dimensional Euclidean space doubles the dimension to give a symplectic manifold. Examining one of the Lagrangian submanifolds in the flat case, we find that in addition to the expected S O (n ) connection and curvature, the solder form necessarily becomes Lorentzian. General coordinate invariance gives rise to an S O (n -1 ,1 ) connection on the spacetime. The principal fiber bundle character of the original S O (n ) guarantees that the two symmetries enter as a direct product, in agreement with the Coleman-Mandula theorem.

  5. Another Broken Symmetry

    ERIC Educational Resources Information Center

    Groetsch, C. W.

    2005-01-01

    Resistance destroys symmetry. In this note, a graphical exploration serves as a guide to a rigorous elementary proof of a specific asymmetry in the trajectory of a point projectile in a medium offering linear resistance.

  6. Symmetries in Physics

    NASA Astrophysics Data System (ADS)

    Castaños, Octavio

    2010-09-01

    The purpose of this course is to study the evolution of the symmetry concept and establish its influence in the knowledge of the fundamental laws of nature. Physicist have been using the symmetry concept in two ways: to solve problems and to search for new understanding of the world around us. In quantum physics symmetry plays a key role in gaining an understanding of the physical laws governing the behavior of matter and field systems. It provides, generally, a shortcut based on geometry for discovering the secrets of the Universe. Because it is believed that the laws of physics are invariant under discrete and continuous transformation operations of the space and time, there are continuous symmetries, for example, energy and momentum together with discrete ones corresponding to charge, parity and time reversal operations.

  7. Dynamical symmetries for fermions

    SciTech Connect

    Guidry, M.

    1989-01-01

    An introduction is given to the Fermion Dynamical Symmetry Model (FDSM). The analytical symmetry limits of the model are then applied to the calculation of physical quantities such as ground-state masses and B(E{sub 2}) values in heavy nuclei. These comparisons with data provide strong support for a new principle of collective motion, the Dynamical Pauli Effect, and suggest that dynamical symmetries which properly account for the pauli principle are much more persistent in nuclear structure than the corresponding boson symmetries. Finally, we present an assessment of criticisms which have been voiced concerning the FDSM, and a discussion of new phenomena and exotic spectroscopy'' which may be suggested by the model. 14 refs., 8 figs., 4 tabs.

  8. Fourth class of convex equilateral polyhedron with polyhedral symmetry related to fullerenes and viruses

    PubMed Central

    Schein, Stan; Gayed, James Maurice

    2014-01-01

    The three known classes of convex polyhedron with equal edge lengths and polyhedral symmetry––tetrahedral, octahedral, and icosahedral––are the 5 Platonic polyhedra, the 13 Archimedean polyhedra––including the truncated icosahedron or soccer ball––and the 2 rhombic polyhedra reported by Johannes Kepler in 1611. (Some carbon fullerenes, inorganic cages, icosahedral viruses, geodesic structures, and protein complexes resemble these fundamental shapes.) Here we add a fourth class, “Goldberg polyhedra,” which are also convex and equilateral. We begin by decorating each of the triangular facets of a tetrahedron, an octahedron, or an icosahedron with the T vertices and connecting edges of a “Goldberg triangle.” We obtain the unique set of internal angles in each planar face of each polyhedron by solving a system of n equations and n variables, where the equations set the dihedral angle discrepancy about different types of edge to zero, and the variables are a subset of the internal angles in 6gons. Like the faces in Kepler’s rhombic polyhedra, the 6gon faces in Goldberg polyhedra are equilateral and planar but not equiangular. We show that there is just a single tetrahedral Goldberg polyhedron, a single octahedral one, and a systematic, countable infinity of icosahedral ones, one for each Goldberg triangle. Unlike carbon fullerenes and faceted viruses, the icosahedral Goldberg polyhedra are nearly spherical. The reasoning and techniques presented here will enable discovery of still more classes of convex equilateral polyhedra with polyhedral symmetry. PMID:24516137

  9. THOR-ICO: a General Circulation Model for Exoplanets on an Icosahedral Grid

    NASA Astrophysics Data System (ADS)

    Mendonca, J.; Heng, K.; Grimm, S.

    2014-04-01

    The study of extrasolar planets has become important since the discovery of a large number of these astronomical objects. The diversity of planetary characteristics observed raises questions about the variety of climates. The influence of the astronomical and planetary bulk parameters in driving the atmospheric circulations continues to be poorly understood. In the solar system the results from planetary spacecraft missions have demonstrated how different the planetary climate and atmospheric circulations can be. The study of exoplanets is going to require a study of a far greater range of physical and orbital parameters than the ones that characterise our neighbour planets (in the solar system). For this reason the study of exoplanets will involve an even greater diversity of circulation and climate regimes. We are developing a dedicated General Circulation Model (GCM) for extrasolar planets called "Exoclimes Simulation Platform". This model will solve the complex physical and dynamical equations that include fundamental principles of atmospheric fluid dynamics and various idealisations of, for example, radiative transfer [1] and dry or moist convection. The interpretation and analysis of the results from this complex model will help us to have a better understanding on the diversity of climates and atmospheric circulations. Here we present the first results of our recent scheme which represents the fluid dynamical phenomena in the atmosphere. This new code solves the atmospheric fluid equations in a rotating sphere (fully compressible - elastic - nonhydrostatic system) using an icosahedral grid. The grid is also modified to improve the uniformity of the grid point distribution applying a method called spring dynamics [2]. The results shown include 3D experiments of gravity and acustic waves, Held-Suarez test case [3] and an idealized hot-Jupiter case.

  10. Point symmetry in x-ray shadow imaging systems

    SciTech Connect

    Aristov, V.V.; Shabel'nikov, L.G.

    1988-04-01

    General geometrical features have been examined to identify point-group symmetries in x-ray imaging systems. In a stereospecific system, the group is the b/w antisymmetry group 2/m'. In a computerized tomography system, the symmetry is described by the limiting Curie group /infinity//m/center dot/m, while for a tomosynthesis system (transaxial tomography), it is /infinity//m. The operations in these groups have been examined in the production of shadow images involving distributed attenuation coefficients, particularly for stereospecific images recorded with an MIR-3 x-ray microscope. Curie's principle is used to show that reconstructed paired images for two intersecting objects can be considered as the equivalent of stereoscopic pairs for computer-aided tomography, which is not so for transaxial tomography.

  11. Unified structure theory of icosahedral quasicrystals: Evidence from neutron powder diffraction patterns that AlCrFeMnSi, AlCuLiMg, and TiNiFeSi icosahedral quasicrystals are twins of cubic crystals containing about 820 or 1012 atoms in a primitive unit cube

    PubMed Central

    Pauling, Linus

    1988-01-01

    A unified structure theory of icosahedral quasicrystals, combining the twinned-cubic-crystal theory and the Penrose-tiling-six-dimensional-projection theory, is described. Values of the primitive-cubic lattice constant for several quasicrystals are evaluated from x-ray and neutron diffraction data. The fact that the low-angle diffraction maxima can be indexed with cubic unit cells provides additional support for the twinned-cubic-crystal theory of icosahedral quasicrystals. PMID:16593990

  12. Unified structure theory of icosahedral quasicrystals: Evidence from neutron powder diffraction patterns that AlCrFeMnSi, AlCuLiMg, and TiNiFeSi icosahedral quasicrystals are twins of cubic crystals containing about 820 or 1,012 atoms in a primitive unit cube

    SciTech Connect

    Pauling, L. )

    1988-11-01

    A unified structure theory of icosahedral quasicrystals, combining the twinned-cubic-crystal theory and the Penrose-tiling-six-dimensional-projection theory, is described. Values of the primitive-cubic lattice constant for several quasicrystals are evaluated from x-ray and neutron diffraction data. The fact that the low-angle diffraction maxima can be indexed with cubic unit cells provides additional support for the twinned-cubic-crystal theory of icosahedral quasicrystals.

  13. Post-imaging fiducial markers aid in the orientation determination of complexes with mixed or unknown symmetry

    PubMed Central

    Bubeck, Doryen; Filman, David J.; Kuzmin, Mikhail; Fuller, Stephen D.; Hogle, James M.

    2008-01-01

    During the entry process many icosahedral viruses must adopt a lower-order symmetry or incur a symmetry mismatch to release their genome through a single site. A membrane model system in which poliovirus was bound to receptor-decorated liposomes was used to pioneer techniques that studied the break in the symmetry of the initial attachment complex by cryo-electron microscopy. Novel methods involving a fiducial marker for the membrane contact point were developed to objectively determine the symmetry of this complex and provide a starting model to initiate a bootstrap orientation refinement. Here we analyze how errors in the subjective assignment of this position affect the determination of symmetry, and the accuracy of calculating Euler angles for each raw image. In this study we have optimized the method and applied it to study the membrane-attachment complex of Semliki Forest virus (SFV), a model system for enveloped virus fusion. The resulting reconstruction of the SFV-membrane complex with a fiducial provides the first experimental evidence that this pre-fusion cell entry intermediate approaches the membrane along the viral 5fold axis. The analysis reported here, and its subsequent application to enveloped virus fusion, indicate that this is a robust tool for solving the structures of mixed-symmetry complexes. PMID:18442921

  14. Formation ranges of icosahedral, amorphous and crystalline phases in rapidly solidified Ti-Zr-Hf-Ni alloys

    SciTech Connect

    Chen, N. . E-mail: asyzxy@imr.edu; Louzguine, D.V.; Ranganathan, S.; Inoue, A.

    2005-02-01

    From the quaternary Ti-Zr-Hf-Ni phase diagram, the cross-section at 20 at.% Ni was selected for investigation. The icosahedral quasicrystalline, crystalline and amorphous phases were observed to form in nine kinds of rapidly solidified (Ti{sub x}Zr{sub y}Hf{sub z}){sub 80}Ni{sub 20} (x + y + z = 1) alloys at different compositions. The quasilattice constants of 0.519 and 0.531 nm were obtained for the icosahedral phase formed in the melt-spun Ti{sub 40}Zr{sub 20}Hf{sub 20}Ni{sub 20} and Ti{sub 20}Zr{sub 40}Hf{sub 20}Ni{sub 20} alloys, respectively. The icosahedral phase formed in the melt-spun Ti{sub 40}Zr{sub 20}Hf{sub 20}Ni{sub 20} alloy especially is thermodynamically stable. The supercooled liquid region of the Ti{sub 20}Zr{sub 20}Hf{sub 40}Ni{sub 20} glassy alloy reached 64 K. From these results a comparison of quasicrystal-forming and glass-forming abilities was carried out. The quasicrystal-forming ability was reduced and glass-forming ability was improved with an increase in Hf and Zr contents in the (Ti{sub x}Zr{sub y}Hf{sub z}){sub 80}Ni{sub 20} alloys. On the other hand, an increase in Ti content caused an improvement in quasicrystal-forming ability.

  15. Lectures on Yangian symmetry

    NASA Astrophysics Data System (ADS)

    Loebbert, Florian

    2016-08-01

    In these introductory lectures we discuss the topic of Yangian symmetry from various perspectives. Forming the classical counterpart of the Yangian and an extension of ordinary Noether symmetries, first the concept of nonlocal charges in classical, two-dimensional field theory is reviewed. We then define the Yangian algebra following Drinfel’d's original motivation to construct solutions to the quantum Yang–Baxter equation. Different realizations of the Yangian and its mathematical role as a Hopf algebra and quantum group are discussed. We demonstrate how the Yangian algebra is implemented in quantum, two-dimensional field theories and how its generators are renormalized. Implications of Yangian symmetry on the two-dimensional scattering matrix are investigated. We furthermore consider the important case of discrete Yangian symmetry realized on integrable spin chains. Finally we give a brief introduction to Yangian symmetry in planar, four-dimensional super Yang–Mills theory and indicate its impact on the dilatation operator and tree-level scattering amplitudes. These lectures are illustrated by several examples, in particular the two-dimensional chiral Gross–Neveu model, the Heisenberg spin chain and { N }=4 superconformal Yang–Mills theory in four dimensions.

  16. A molecular symmetry analysis of the electronic states and transition dipole moments for molecules with two torsional degrees of freedom

    SciTech Connect

    Obaid, R.; Leibscher, M.

    2015-02-14

    We present a molecular symmetry analysis of electronic states and transition dipole moments for molecules which undergo large amplitude intramolecular torsions. The method is based on the correlation between the point group of the molecule at highly symmetric configurations and the molecular symmetry group. As an example, we determine the global irreducible representations of the electronic states and transition dipole moments for the quinodimethane derivative 2-[4-(cyclopenta-2,4-dien-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-2H-1, 3-dioxole for which two torsional degrees of freedom can be activated upon photo-excitation and construct the resulting symmetry adapted transition dipole functions.

  17. Icosahedral short-range order in amorphous Cu80Si20 by ab initio molecular dynamics simulation study

    SciTech Connect

    Wu, S.; Kramer, Matthew J.; Fang, Xiaowei; Wang, Shy-Guey; Wang, Cai-Zhuang; Ho, Kai-Ming; Ding, Z.J.; Chen, L.Y.

    2012-04-26

    Short-range order in liquid and amorphous structures of Cu80Si20 is studied by ab initio molecular dynamics simulations. We performed the simulations at 1140 and 300 K respectively to investigate the local structure change from liquid to amorphous. The result of structure factor in comparison with experimental data indicates that our simulation of amorphous Cu80Si20 is reliable. By using the bond-angle distribution function, Honeycutt–Andersen index, Voronoi tessellation method, and the atomistic cluster alignment method, the icosahedral short-range order in the system is revealed. Strong Cu–Si interaction was also observed.

  18. Icositetrahedral and icosahedral atomic configurations observed in the Nb-Ag metallic glasses synthesized by ion beam mixing

    SciTech Connect

    Tai, K. P.; Gao, N.; Dai, X. D.; Li, J. H.; Lai, W. S.; Liu, B. X.

    2006-08-28

    Metallic glasses are obtained in an immiscible Nb-Ag system by ion beam mixing and an atomic configuration in the amorphous structure is discovered, i.e., an icositetrahedral ordering, which, together with an icosahedral ordering also observed in the Nb-Ag metallic glasses and in some previously reported systems, helps in formulating a structural spectrum of the amorphous solids. The experimental characterization and atomistic modeling with an ab initio derived Nb-Ag potential demonstrate the significance of structural heredity, i.e., the crystalline structures of the constituent metals play a decisive role in determining the atomic structure of the metallic glasses in the system.

  19. Symmetry-Protected Majorana Fermions in Topological Crystalline Superconductors: Theory and Application to Sr2RuO4

    NASA Astrophysics Data System (ADS)

    Ueno, Yuji; Yamakage, Ai; Tanaka, Yukio; Sato, Masatoshi

    2013-08-01

    Crystal point group symmetry is shown to protect Majorana fermions (MFs) in spinfull superconductors (SCs). We elucidate the condition necessary to obtain MFs protected by the point group symmetry. We argue that superconductivity in Sr2RuO4 hosts a topological phase transition to a topological crystalline SC, which accompanies a d-vector rotation under a magnetic field along the c axis. Taking all three bands and spin-orbit interactions into account, symmetry-protected MFs in the topological crystalline SC are identified. Detection of such MFs provides evidence of the d-vector rotation in Sr2RuO4 expected from Knight shift measurements but not yet verified.

  20. Quantification of Symmetry

    NASA Astrophysics Data System (ADS)

    Fang, Yi-Nan; Dong, Guo-Hui; Zhou, Duan-Lu; Sun, Chang-Pu

    2016-04-01

    Symmetry is conventionally described in a polarized manner that the system is either completely symmetric or completely asymmetric. Using group theoretical approach to overcome this dichotomous problem, we introduce the degree of symmetry (DoS) as a non-negative continuous number ranging from zero to unity. DoS is defined through an average of the fidelity deviations of Hamiltonian or quantum state over its transformation group G, and thus is computable by making use of the completeness relations of the irreducible representations of G. The monotonicity of DoS can effectively probe the extended group for accidental degeneracy while its multi-valued natures characterize some (spontaneous) symmetry breaking. Supported by the National Natural Science Foundation of China under Grant Nos. 11421063, 11534002, 11475254 and the National 973 Program under Grant Nos. 2014CB921403, 2012CB922104, and 2014CB921202

  1. Electroweak symmetry breaking

    SciTech Connect

    Chanowitz, M.S.

    1990-09-01

    The Higgs mechanism is reviewed in its most general form, requiring the existence of a new symmetry-breaking force and associated particles, which need not however be Higgs bosons. The first lecture reviews the essential elements of the Higgs mechanism, which suffice to establish low energy theorems for the scattering of longitudinally polarized W and Z gauge bosons. An upper bound on the scale of the symmetry-breaking physics then follows from the low energy theorems and partial wave unitarity. The second lecture reviews particular models, with and without Higgs bosons, paying special attention to how the general features discussed in lecture 1 are realized in each model. The third lecture focuses on the experimental signals of strong WW scattering that can be observed at the SSC above 1 TeV in the WW subenergy, which will allow direct measurement of the strength of the symmetry-breaking force. 52 refs., 10 figs.

  2. Essays on symmetry

    NASA Astrophysics Data System (ADS)

    Ismael, Jenann Tareq

    1997-04-01

    Structures of many different sorts arise in physics, e.g., the concrete structures of material bodies, the structure exemplified by the spatiotemporal configuration of a set of bodies, the structures of more abstract objects like states, state-spaces, laws, and so on. To each structure of any of these types there corresponds a set of transformations which map it onto itself. These are its symmetries. Increasingly ubiquitous in theoretical discussions in physics, the notion of symmetry is also at the root of some time-worn philosophical debates. This dissertation consists of a set of essays on topics drawn from places where the two fields overlap. The first essay is an informal introduction to the mathematical study of symmetry. The second essay defends a famous principle of Pierre Curie which states that the symmetries of a cause are always symmetries of its effect. The third essay takes up the case of reflection in space in the context of a controversy stemming from one of Kant's early arguments for the substantivality of space. The fourth essay is a discussion of the general conditions under which an asymmetry in a phenomenon suggests an asymmetry in the laws which govern it. The case of reflection in time-specifically, the theoretical strategy used in statistical mechanics to subsume the time-asymmetric phenomena of Thermodynamics under the time-symmetric classical dynamical laws-is used to illustrate the general points. The philosophical heart of the thesis lies in its fifth essay. Here a somewhat novel way of conceiving scientific theorizing is articulated, one suggested by the abstract mathematical perspective of symmetry.

  3. Deuterium dynamics in the icosahedral and amorphous phases of the Ti40Zr40Ni20 hydrogen-absorbing alloy studied by 2H NMR

    NASA Astrophysics Data System (ADS)

    Gradišek, A.; Kocjan, A.; McGuiness, P. J.; Apih, T.; Kim, Hae Jin; Dolinšek, J.

    2008-11-01

    The Ti40Zr40Ni20 hydrogen-absorbing alloy was prepared in the icosahedral and amorphous phases by controlling the rotation speed of the melt-spinning method of sample preparation, and the deuterium dynamics was investigated by 2H NMR dynamic lineshape and spin-lattice relaxation. The results were analysed by the lineshape and relaxation models that assume deuterium thermally activated hopping within a manifold of different chemical environments. The observed 8% larger activation energy for the deuterium hopping over the interstitial sites and the 10% larger static spectrum width of the amorphous phase, as compared to the icosahedral phase, can be accounted for by the larger deuterium content of the investigated amorphous sample. From the deuterium dynamics point of view, the icosahedral phase is not special with respect to the amorphous modification of the same material.

  4. Deformed discrete symmetries

    NASA Astrophysics Data System (ADS)

    Arzano, Michele; Kowalski-Glikman, Jerzy

    2016-09-01

    We construct discrete symmetry transformations for deformed relativistic kinematics based on group valued momenta. We focus on the specific example of κ-deformations of the Poincaré algebra with associated momenta living on (a sub-manifold of) de Sitter space. Our approach relies on the description of quantum states constructed from deformed kinematics and the observable charges associated with them. The results we present provide the first step towards the analysis of experimental bounds on the deformation parameter κ to be derived via precision measurements of discrete symmetries and CPT.

  5. Weakly broken galileon symmetry

    SciTech Connect

    Pirtskhalava, David; Santoni, Luca; Trincherini, Enrico; Vernizzi, Filippo

    2015-09-01

    Effective theories of a scalar ϕ invariant under the internal galileon symmetryϕ→ϕ+b{sub μ}x{sup μ} have been extensively studied due to their special theoretical and phenomenological properties. In this paper, we introduce the notion of weakly broken galileon invariance, which characterizes the unique class of couplings of such theories to gravity that maximally retain their defining symmetry. The curved-space remnant of the galileon’s quantum properties allows to construct (quasi) de Sitter backgrounds largely insensitive to loop corrections. We exploit this fact to build novel cosmological models with interesting phenomenology, relevant for both inflation and late-time acceleration of the universe.

  6. Atkin-Lehner symmetry

    NASA Astrophysics Data System (ADS)

    Moore, Gregory

    The vanishing of the one-loop string cosmological constant in nontrivial non supersymmetric backgrounds can be understood by viewing the path integral as an inner product of orthogonal wave functions. For special backgrounds the string theory has an extra symmetry, expressed as a transformation on moduli space. When left- and right-moving wave functions transform in different representations of this symmetry the cosmological constant must vanish. Specific examples of the mechanism are given at one loop for theories in two and four dimensions. Various suggestions are made for the higher loop extension of this idea.

  7. PT -symmetry Wave Chaos

    NASA Astrophysics Data System (ADS)

    West, Carl T.; Kottos, Tsampikos; Prosen, Tomaz

    2010-03-01

    We study a new class of chaotic systems with dynamical localization, where gain/loss processes break the hermiticity, while allowing for parity-time PT symmetry. For a value γPT of the gain/loss parameter the spectrum undergoes a spontaneous phase transition from real (exact phase) to complex values (broken phase). We develop a one parameter scaling theory for γPT, and show that chaos assists the exact PT-phase. Our results will have applications to the design of optical elements with PT-symmetry.

  8. BOOK REVIEW: Symmetry Breaking

    NASA Astrophysics Data System (ADS)

    Ryder, L. H.

    2005-11-01

    One of the most fruitful and enduring advances in theoretical physics during the last half century has been the development of the role played by symmetries. One needs only to consider SU(3) and the classification of elementary particles, the Yang Mills enlargement of Maxwell's electrodynamics to the symmetry group SU(2), and indeed the tremendous activity surrounding the discovery of parity violation in the weak interactions in the late 1950s. This last example is one of a broken symmetry, though the symmetry in question is a discrete one. It was clear to Gell-Mann, who first clarified the role of SU(3) in particle physics, that this symmetry was not exact. If it had been, it would have been much easier to discover; for example, the proton, neutron, Σ, Λ and Ξ particles would all have had the same mass. For many years the SU(3) symmetry breaking was assigned a mathematical form, but the importance of this formulation fell away when the quark model began to be taken seriously; the reason the SU(3) symmetry was not exact was simply that the (three, in those days) quarks had different masses. At the same time, and in a different context, symmetry breaking of a different type was being investigated. This went by the name of `spontaneous symmetry breaking' and its characteristic was that the ground state of a given system was not invariant under the symmetry transformation, though the interactions (the Hamiltonian, in effect) was. A classic example is ferromagnetism. In a ferromagnet the atomic spins are aligned in one direction only—this is the ground state of the system. It is clearly not invariant under a rotation, for that would change the ground state into a (similar but) different one, with the spins aligned in a different direction; this is the phenomenon of a degenerate vacuum. The contribution of the spin interaction, s1.s2, to the Hamiltonian, however, is actually invariant under rotations. As Coleman remarked, a little man living in a ferromagnet would

  9. Simple Treatment of the Symmetry Labels for the d-d States of Octahedral Complexes

    NASA Astrophysics Data System (ADS)

    Smith, Derek W.

    1996-06-01

    The derivation of the symmetry labels for d-d states of cubic (octahedral and tetrahedral) complexes of d block elements is not readily accessible to students having an elementary knowledge of group theory. This paper shows how the d-d states of octahedral d^n complexes (in the point group O) can be worked out by descent in symmetry to D2, using the relevant character tables and multiplication tables for their irreducible representations. A letter from Derek W. Smith in our April 2000 issue addresses the above.

  10. Development of thermal rectifier using unusual electron thermal conductivity of icosahedral quasicrystals

    NASA Astrophysics Data System (ADS)

    Takeuchi, Tsunehiro

    2015-03-01

    The bulk thermal rectifiers usable at high temperature were developed using the unusual increase of electron thermal conductivity of icosahedral quasicrystals (ICQ's) at high temperature. Our previously performed analyses in terms of linear response theory suggested that the unusual increase of electron thermal conductivity of ICQ was brought about by the synergy effect of quasiperiodicity and narrow pseudogap at the Fermi level. Since the linear response theory suggests that the unusual increase of electron thermal conductivity is coupled with the small magnitude of Seebeck coefficient, the composition of Al-Cu-Fe ICQ, where the thermal conductivity shows the most significant increase with increasing temperature, was determined with a great help of Seebeck coefficient measurements. Consequently obtained Al61.5Cu26.5Fe12.0 ICQ, which was characterized by the small magnitude of Seebeck coefficient, possessed 9 times larger value of thermal conductivity at 1000 K than that observed at 300 K. The increasing tendency of electron thermal conductivity with increasing temperature was further enhanced by means of small amount of Re substitution for Fe. This substitution definitely reduced the lattice thermal conductivity while the electron thermal conductivity was kept unchanged. The lattice thermal conductivity was reduced by 35 % under the presence of 0.5 at.% Re, and the thermal conductivity at 1000 K consequently became about 11 times larger than that at 300 K. The thermal rectifiers were constructed using our newly developed ICQ (Al61.5Cu26.5Fe12.0 or Al61.0Si0.5Cu26.5Fe11.5Re0.5) together with one of the selected materials (Si, Al2O3, CuGeTe2 or Ag2Te) that possess thermal conductivity decreasing with increasing temperature. The heat current flowing in the rectifiers was confirmed to show significant direction dependence. The consequently obtained TRR =|Jlarge|/ |Jsmall | for the composite consisting of

  11. Horror Vacui Symmetry.

    ERIC Educational Resources Information Center

    Crumpecker, Cheryl

    2003-01-01

    Describes an art lesson used with children in the third grade to help them learn about symmetry, as well as encouraging them to draw larger than usual. Explains that students learn about the belief called "Horror Vacui" of the Northwest American Indian tribes and create their interpretation of this belief. (CMK)

  12. Introduction to chiral symmetry

    SciTech Connect

    Koch, V.

    1996-01-08

    These lectures are an attempt to a pedagogical introduction into the elementary concepts of chiral symmetry in nuclear physics. Effective chiral models such as the linear and nonlinear sigma model will be discussed as well as the essential ideas of chiral perturbation theory. Some applications to the physics of ultrarelativistic heavy ion collisions will be presented.

  13. Falling for Symmetry.

    ERIC Educational Resources Information Center

    McGehe, Carol

    1991-01-01

    Presents math activities, problems, and games for teaching elementary students to recognize the world's natural symmetry and understand the mathematical qualities it represents; suggests activities with construction paper, blocks, and calculators. Instructions for using the calculator to create palindromes are included. (SM)

  14. Active fluctuation symmetries

    NASA Astrophysics Data System (ADS)

    Maes, Christian; Salazar, Alberto

    2014-01-01

    In contrast with the understanding of fluctuation symmetries for entropy production, similar ideas applied to the time-symmetric fluctuation sector have been less explored. Here we give detailed derivations of time-symmetric fluctuation symmetries in boundary-driven particle systems such as the open Kawasaki lattice gas and the zero-range model. As a measure of time-symmetric dynamical activity over time T we count the difference (Nℓ - Nr)/T between the number of particle jumps in or out at the left edge and those at the right edge of the system. We show that this quantity satisfies a fluctuation symmetry from which we derive a new Green-Kubo-type relation. It will follow then that the system is more active at the edge connected to the particle reservoir with the largest chemical potential. We also apply these exact relations derived for stochastic particle models to a deterministic case, the spinning Lorentz gas, where the symmetry relation for the activity is checked numerically.

  15. Simulations of the Structure and Properties of Large Icosahedral Boron Clusters Based on a Novel Semi-Empirical Hamiltonian

    NASA Astrophysics Data System (ADS)

    Tandy, Paul; Yu, Ming; Jayanthi, C. S.; Wu, Shi-Yu; Condensed Matter Theory Group Team

    2013-03-01

    A successful development of a parameterized semi-empirical Hamiltonian (SCED-LCAO) for boron based on a LCAO framework using a sp3 basis set will be discussed. The semi-empirical Hamiltonian contains environment-dependency and electron screening effects of a many-body Hamiltonian and allows for charge self-consistency. We have optimized the parameters of the SCED-LCAO Hamiltonian for boron by fitting the properties (e.g., the binding energy, bond length, etc.) of boron sheets, small clusters and boron alpha to first-principles calculations based on DFT calculations. Although extended phases of boron alpha and beta have been studied, large clusters of boron with icosahedral structures such as those cut from boron alpha are difficult if not impossible to simulate with ab initio methods. We will demonstrate the effectiveness of the SCED-LCAO Hamiltonian in studying icosahedral boron clusters containing up to 800 atoms and will report on some novel boron clusters and computational speed. Support has been provided by the Dillion Fellowship.

  16. Adding the Third Dimension to Virus Life Cycles: Three-Dimensional Reconstruction of Icosahedral Viruses from Cryo-Electron Micrographs

    PubMed Central

    Baker, T. S.; Olson, N. H.; Fuller, S. D.

    1999-01-01

    Viruses are cellular parasites. The linkage between viral and host functions makes the study of a viral life cycle an important key to cellular functions. A deeper understanding of many aspects of viral life cycles has emerged from coordinated molecular and structural studies carried out with a wide range of viral pathogens. Structural studies of viruses by means of cryo-electron microscopy and three-dimensional image reconstruction methods have grown explosively in the last decade. Here we review the use of cryo-electron microscopy for the determination of the structures of a number of icosahedral viruses. These studies span more than 20 virus families. Representative examples illustrate the use of moderate- to low-resolution (7- to 35-Å) structural analyses to illuminate functional aspects of viral life cycles including host recognition, viral attachment, entry, genome release, viral transcription, translation, proassembly, maturation, release, and transmission, as well as mechanisms of host defense. The success of cryo-electron microscopy in combination with three-dimensional image reconstruction for icosahedral viruses provides a firm foundation for future explorations of more-complex viral pathogens, including the vast number that are nonspherical or nonsymmetrical. PMID:10585969

  17. Gauging without initial symmetry

    NASA Astrophysics Data System (ADS)

    Kotov, Alexei; Strobl, Thomas

    2016-01-01

    The gauge principle is at the heart of a good part of fundamental physics: Starting with a group G of so-called rigid symmetries of a functional defined over space-time Σ, the original functional is extended appropriately by additional Lie(G) -valued 1-form gauge fields so as to lift the symmetry to Maps(Σ , G) . Physically relevant quantities are then to be obtained as the quotient of the solutions to the Euler-Lagrange equations by these gauge symmetries. In this article we show that one can construct a gauge theory for a standard sigma model in arbitrary space-time dimensions where the target metric is not invariant with respect to any rigid symmetry group, but satisfies a much weaker condition: It is sufficient to find a collection of vector fields va on the target M satisfying the extended Killing equationv a(i ; j) = 0 for some connection acting on the index a. For regular foliations this is equivalent to requiring the conormal bundle to the leaves with its induced metric to be invariant under leaf-preserving diffeomorphisms of M, which in turn generalizes Riemannian submersions to which the notion reduces for smooth leaf spaces M / ∼. The resulting gauge theory has the usual quotient effect with respect to the original ungauged theory: in this way, much more general orbits can be factored out than usually considered. In some cases these are orbits that do not correspond to an initial symmetry, but still can be generated by a finite-dimensional Lie group G. Then the presented gauging procedure leads to an ordinary gauge theory with Lie algebra valued 1-form gauge fields, but showing an unconventional transformation law. In general, however, one finds that the notion of an ordinary structural Lie group is too restrictive and should be replaced by the much more general notion of a structural Lie groupoid.

  18. Gravity from Lorentz Symmetry Violation

    SciTech Connect

    Potting, Robertus

    2006-06-19

    In general relativity, the masslessness of gravitons can be traced to symmetry under diffeomorphisms. In this talk, we consider another possibility, whereby the masslessness arises from spontaneous violation of Lorentz symmetry.

  19. Limits of custodial symmetry

    SciTech Connect

    Chivukula, R. Sekhar; Simmons, Elizabeth H.; Di Chiara, Stefano; Foadi, Roshan

    2009-11-01

    We introduce a toy model implementing the proposal of using a custodial symmetry to protect the Zb{sub L}b{sub L} coupling from large corrections. This 'doublet-extended standard model' adds a weak doublet of fermions (including a heavy partner of the top quark) to the particle content of the standard model in order to implement an O(4)xU(1){sub X}{approx}SU(2){sub L}xSU(2){sub R}xP{sub LR}xU(1){sub X} symmetry in the top-quark mass generating sector. This symmetry is softly broken to the gauged SU(2){sub L}xU(1){sub Y} electroweak symmetry by a Dirac mass M for the new doublet; adjusting the value of M allows us to explore the range of possibilities between the O(4)-symmetric (M{yields}0) and standard-model-like (M{yields}{infinity}) limits. In this simple model, we find that the experimental limits on the Zb{sub L}b{sub L} coupling favor smaller M while the presence of a potentially sizable negative contribution to {alpha}T strongly favors large M. Comparison with precision electroweak data shows that the heavy partner of the top quark must be heavier than about 3.4 TeV, making it difficult to search for at LHC. This result demonstrates that electroweak data strongly limit the amount by which the custodial symmetry of the top-quark mass generating sector can be enhanced relative to the standard model. Using an effective field theory calculation, we illustrate how the leading contributions to {alpha}T, {alpha}S, and the Zb{sub L}b{sub L} coupling in this model arise from an effective operator coupling right-handed top quarks to the Z boson, and how the effects on these observables are correlated. We contrast this toy model with extradimensional models in which the extended custodial symmetry is invoked to control the size of additional contributions to {alpha}T and the Zb{sub L}b{sub L} coupling, while leaving the standard model contributions essentially unchanged.

  20. Reflections on Symmetry and Proof

    ERIC Educational Resources Information Center

    Merrotsy, Peter

    2008-01-01

    The concept of symmetry is fundamental to mathematics. Arguments and proofs based on symmetry are often aesthetically pleasing because they are subtle and succinct and non-standard. This article uses notions of symmetry to approach the solutions to a broad range of mathematical problems. It responds to Krutetskii's criteria for mathematical…

  1. Dynamical Symmetries in Classical Mechanics

    ERIC Educational Resources Information Center

    Boozer, A. D.

    2012-01-01

    We show how symmetries of a classical dynamical system can be described in terms of operators that act on the state space for the system. We illustrate our results by considering a number of possible symmetries that a classical dynamical system might have, and for each symmetry we give examples of dynamical systems that do and do not possess that…

  2. A broken symmetry ontology: Quantum mechanics as a broken symmetry

    SciTech Connect

    Buschmann, J.E.

    1988-01-01

    The author proposes a new broken symmetry ontology to be used to analyze the quantum domain. This ontology is motivated and grounded in a critical epistemological analysis, and an analysis of the basic role of symmetry in physics. Concurrently, he is led to consider nonheterogeneous systems, whose logical state space contains equivalence relations not associated with the causal relation. This allows him to find a generalized principle of symmetry and a generalized symmetry-conservation formalisms. In particular, he clarifies the role of Noether's theorem in field theory. He shows how a broken symmetry ontology already operates in a description of the weak interactions. Finally, by showing how a broken symmetry ontology operates in the quantum domain, he accounts for the interpretational problem and the essential incompleteness of quantum mechanics. He proposes that the broken symmetry underlying this ontological domain is broken dilation invariance.

  3. PSEUDOSPIN SYMMETRY IN NUCLEI, SPIN SYMMETRY IN HADRONS

    SciTech Connect

    P. PAGE; T. GOLDMAN; J. GINOCCHIO

    2000-08-01

    Ginocchio argued that chiral symmetry breaking in QCD is responsible for the relativistic pseudospin symmetry in the Dirac equation, explaining the observed approximate pseudospin symmetry in sizable nuclei. On a much smaller scale, it is known that spin-orbit splittings in hadrons are small. Specifically, new experimental data from CLEO indicate small splittings in D-mesons. For heavy-light mesons we identify a cousin of pseudospin symmetry that suppresses these splittings in the Dirac equation, known as spin symmetry. We suggest an experimental test of the implications of spin symmetry for wave functions in electron-positron annihilation. We investigate how QCD can give rise to two different dynamical symmetries on nuclear and hadronic scales.

  4. Chiral symmetry and pentaquarks

    SciTech Connect

    Dmitri Diakonov

    2004-07-01

    Spontaneous chiral symmetry breaking, mesons and baryons are illustrated in the language of the Dirac theory. Various forces acting between quarks inside baryons are discussed. I explain why the naive quark models typically overestimate pentaquark masses by some 500 MeV and why in the fully relativistic approach to baryons pentaquarks turn out to be light. I discuss briefly why it can be easier to produce pentaquarks at low than at high energies.

  5. Binary-Symmetry Detection

    NASA Technical Reports Server (NTRS)

    Lopez, Hiram

    1987-01-01

    Transmission errors for zeros and ones tabulated separately. Binary-symmetry detector employs psuedo-random data pattern used as test message coming through channel. Message then modulo-2 added to locally generated and synchronized version of test data pattern in same manner found in manufactured test sets of today. Binary symmetrical channel shows nearly 50-percent ones to 50-percent zeroes correspondence. Degree of asymmetry represents imbalances due to either modulation, transmission, or demodulation processes of system when perturbed by noise.

  6. PT symmetry in optics

    NASA Astrophysics Data System (ADS)

    Christodoulides, Demetrios

    2015-03-01

    Interest in complex Hamiltonians has been rekindled after the realization that a wide class of non-Hermitian Hamiltonians can have entirely real spectra as long as they simultaneously respect parity and time reversal operators. In non-relativistic quantum mechanics, governed by the Schrödinger equation, a necessary but not sufficient condition for PT symmetry to hold is that the complex potential should involve real and imaginary parts which are even and odd functions of position respectively. As recently indicated, optics provides a fertile ground to observe and utilize notions of PT symmetry. In optics, the refractive index and gain/loss profiles play the role of the real and imaginary parts of the aforementioned complex potentials. As it has been demonstrated in several studies, PT-symmetric optical structures can exhibit peculiar properties that are otherwise unattainable in traditional Hermitian (conservative) optical settings. Among them, is the possibility for breaking this symmetry through an abrupt phase transition, band merging effects and unidirectional invisibility. Here we review recent developments in the field of -symmetric optics.

  7. Electrochemically shape-controlled synthesis in deep eutectic solvents: triambic icosahedral platinum nanocrystals with high-index facets and their enhanced catalytic activity.

    PubMed

    Wei, Lu; Zhou, Zhi-You; Chen, Sheng-Pei; Xu, Chang-Deng; Su, Dangsheng; Schuster, Manfred Erwin; Sun, Shi-Gang

    2013-12-11

    Pt triambic icosahedral nanocrystals (TIH NCs) enclosed by {771} high-index facets were successfully synthesized electrochemically, for the first time, in ChCl-urea based deep eutectic solvents, and exhibited higher electrocatalytic activity and stability towards ethanol electrooxidation than a commercial Pt black catalyst. PMID:24084858

  8. Symmetries in laminated composite plates

    NASA Technical Reports Server (NTRS)

    Noor, A. K.

    1976-01-01

    The different types of symmetry exhibited by laminated anisotropic fibrous composite plates are identified and contrasted with the symmetries of isotropic and homogeneous orthotropic plates. The effects of variations in the fiber orientation and the stacking sequence of the layers on the symmetries exhibited by composite plates are discussed. Both the linear and geometrically nonlinear responses of the plates are considered. A simple procedure is presented for exploiting the symmetries in the finite element analysis. Examples are given of square, skew and polygonal plates where use of symmetry concepts can significantly reduce the scope and cost of analysis.

  9. Improved Statistics for Determining the Patterson Symmetry fromUnmerged Diffraction Intensities

    SciTech Connect

    Sauter, Nicholas K.; Grosse-Kunstleve, Ralf W.; Adams, Paul D.

    2006-01-09

    We examine procedures for detecting the point-group symmetryof macromolecular datasets and propose enhancements. To validate apoint-group, it is sufficient to compare pairs of Bragg reflections thatare related by each of the group's component symmetry operators.Correlation is commonly expressed in the form of a single statisticalquantity (such as Rmerge) that incorporates information from all of theobserved reflections. However, the usual practice of weighting all pairsof symmetry-related intensities equally can obscure the fact that thevarious symmetry operators of the point-group contribute differingfractions of the total set. In some cases where particular symmetryelements are significantly under-represented, statistics calculatedglobally over all observations do not permit conclusions about thepoint-group and Patterson symmetry. The problem can be avoided byrepartitioning the data in a way that explicitly takes note of individualoperators. The new analysis methods, incorporated into the programLABELIT (cci.lbl.gov/labelit), can be performed early enough during dataacquisition, and are quick enough, that it is feasible to pause tooptimize the data collection strategy.

  10. Diffuse scattering and phason fluctuations in the Zn-Mg-Sc icosahedral quasicrystal and its Zn-Sc periodic approximant.

    PubMed

    de Boissieu, M; Francoual, S; Kaneko, Y; Ishimasa, T

    2005-09-01

    We report on the absolute scale measurement of the x-ray diffuse scattering in the ZnMgSc icosahedral quasicrystal and its periodic approximant. Whereas the diffuse scattering in the approximant is purely accounted for by thermal diffuse scattering, an additional signal is observed in the quasicrystal. It is related to phason fluctuations as indicated by its Q(2)(per) dependence. Moreover, when compared to previous measurements carried out on the i-AlPdMn phase, we find that the amount of diffuse scattering is smaller in the i-ZnMgSc phase, in agreement with larger phason elastic constants in this phase. This is confirmed by the observation of a large number of weak Bragg peaks having a high Q(per) reciprocal space component. PMID:16196940